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 -91:sc= 0.189 USER MOD Set 1.2: A 41 CYS SG : rot 170:sc= 1.09 USER MOD Set 1.3: A 46 CYS SG : rot 70:sc= 1.14 USER MOD Set 1.4: A 48 CYS SG : rot 180:sc= 0.163 USER MOD Set 1.5: A 52 CYS SG : rot 180:sc= 0.0224 USER MOD Set 1.6: A 58 CYS SG : rot -96:sc= -0.0727! USER MOD Set 1.7: A 60 CYS SG : rot 78:sc= -3.61! USER MOD Set 1.8: A 64 CYS SG : rot 180:sc= -0.365 USER MOD Set 1.9: A 66 CYS SG : rot 180:sc= 0.608 USER MOD Set 1.10: A 67 LYS NZ :NH3+ -169:sc= 2.75 (180deg=0.97) USER MOD Set 2.1: A 53 THR OG1 : rot 52:sc= 0.574 USER MOD Set 2.2: A 57 SER OG : rot -33:sc= 0.804 USER MOD Set 3.1: A 23 SER OG : rot 180:sc= 0.294 USER MOD Set 3.2: A 24 LYS NZ :NH3+ -131:sc= 0.187 (180deg=-0.465) USER MOD Set 4.1: A 10 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 11 THR OG1 : rot -138:sc= 0.378 USER MOD Set 4.3: A 14 CYS SG : rot -30:sc= 0.0283 USER MOD Set 4.4: A 19 CYS SG : rot 180:sc= -2.15! USER MOD Set 4.5: A 21 CYS SG : rot 87:sc= 0.127 USER MOD Set 4.6: A 25 CYS SG : rot -160:sc= -1.41 USER MOD Set 4.7: A 27 CYS SG : rot -110:sc= -1.63! USER MOD Set 4.8: A 31 CYS SG : rot 180:sc= 0.562 USER MOD Set 4.9: A 33 CYS SG : rot 180:sc= -0.603 USER MOD Set 4.10: A 36 CYS SG : rot 180:sc= 0.13 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.764 K(o=0.76,f=-0.029) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 32 THR OG1 : rot -44:sc= 0.407 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 40 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.45) USER MOD Single : A 42 THR OG1 : rot 148:sc= 1.23 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= 0.0882 (180deg=0.00892) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0496 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 15.158 -9.001 -17.637 1.00 0.00 N ATOM 99 CA LYS A 9 16.576 -8.711 -17.699 1.00 0.00 C ATOM 100 C LYS A 9 17.239 -9.044 -16.381 1.00 0.00 C ATOM 101 O LYS A 9 18.463 -8.991 -16.258 1.00 0.00 O ATOM 102 CB LYS A 9 16.806 -7.247 -18.025 1.00 0.00 C ATOM 103 CG LYS A 9 16.286 -6.826 -19.393 1.00 0.00 C ATOM 104 CD LYS A 9 16.963 -7.599 -20.514 1.00 0.00 C ATOM 105 CE LYS A 9 16.399 -7.212 -21.871 1.00 0.00 C ATOM 106 NZ LYS A 9 17.089 -7.914 -22.977 1.00 0.00 N ATOM 0 HA LYS A 9 17.014 -9.324 -18.487 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.325 -6.636 -17.261 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.875 -7.038 -17.974 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.209 -6.987 -19.438 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.455 -5.758 -19.534 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.036 -7.406 -20.495 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.829 -8.669 -20.354 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.335 -7.445 -21.901 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.494 -6.135 -22.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.675 -7.622 -23.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.100 -7.672 -22.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.977 -8.941 -22.859 1.00 0.00 H new ATOM 120 N CYS A 10 16.424 -9.371 -15.392 1.00 0.00 N ATOM 121 CA CYS A 10 16.921 -9.736 -14.091 1.00 0.00 C ATOM 122 C CYS A 10 17.594 -11.084 -14.144 1.00 0.00 C ATOM 123 O CYS A 10 17.449 -11.831 -15.116 1.00 0.00 O ATOM 124 CB CYS A 10 15.795 -9.766 -13.071 1.00 0.00 C ATOM 125 SG CYS A 10 15.029 -8.172 -12.765 1.00 0.00 S ATOM 0 H CYS A 10 15.407 -9.389 -15.475 1.00 0.00 H new ATOM 0 HA CYS A 10 17.649 -8.984 -13.786 1.00 0.00 H new ATOM 0 HB2 CYS A 10 15.030 -10.463 -13.413 1.00 0.00 H new ATOM 0 HB3 CYS A 10 16.184 -10.155 -12.130 1.00 0.00 H new ATOM 0 HG CYS A 10 14.082 -8.307 -11.884 1.00 0.00 H new ATOM 130 N THR A 11 18.323 -11.393 -13.118 1.00 0.00 N ATOM 131 CA THR A 11 19.023 -12.639 -13.047 1.00 0.00 C ATOM 132 C THR A 11 18.267 -13.622 -12.164 1.00 0.00 C ATOM 133 O THR A 11 17.264 -13.262 -11.537 1.00 0.00 O ATOM 134 CB THR A 11 20.416 -12.420 -12.468 1.00 0.00 C ATOM 135 OG1 THR A 11 20.302 -11.983 -11.104 1.00 0.00 O ATOM 136 CG2 THR A 11 21.150 -11.371 -13.275 1.00 0.00 C ATOM 0 H THR A 11 18.450 -10.790 -12.306 1.00 0.00 H new ATOM 0 HA THR A 11 19.103 -13.047 -14.055 1.00 0.00 H new ATOM 0 HB THR A 11 20.973 -13.356 -12.508 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.953 -11.270 -10.933 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.145 -11.219 -12.856 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.239 -11.704 -14.309 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.596 -10.433 -13.242 1.00 0.00 H new ATOM 144 N SER A 12 18.744 -14.849 -12.106 1.00 0.00 N ATOM 145 CA SER A 12 18.151 -15.853 -11.252 1.00 0.00 C ATOM 146 C SER A 12 18.540 -15.570 -9.808 1.00 0.00 C ATOM 147 O SER A 12 17.888 -16.019 -8.866 1.00 0.00 O ATOM 148 CB SER A 12 18.633 -17.236 -11.672 1.00 0.00 C ATOM 149 OG SER A 12 18.532 -17.391 -13.079 1.00 0.00 O ATOM 0 H SER A 12 19.546 -15.174 -12.645 1.00 0.00 H new ATOM 0 HA SER A 12 17.065 -15.823 -11.343 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.667 -17.378 -11.358 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.040 -18.002 -11.172 1.00 0.00 H new ATOM 0 HG SER A 12 18.847 -18.284 -13.333 1.00 0.00 H new ATOM 155 N ALA A 13 19.608 -14.803 -9.652 1.00 0.00 N ATOM 156 CA ALA A 13 20.093 -14.406 -8.352 1.00 0.00 C ATOM 157 C ALA A 13 19.192 -13.330 -7.755 1.00 0.00 C ATOM 158 O ALA A 13 18.995 -13.271 -6.542 1.00 0.00 O ATOM 159 CB ALA A 13 21.521 -13.914 -8.467 1.00 0.00 C ATOM 0 H ALA A 13 20.160 -14.441 -10.430 1.00 0.00 H new ATOM 0 HA ALA A 13 20.075 -15.267 -7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.883 -13.615 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.151 -14.713 -8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.558 -13.059 -9.142 1.00 0.00 H new ATOM 165 N CYS A 14 18.635 -12.488 -8.623 1.00 0.00 N ATOM 166 CA CYS A 14 17.704 -11.436 -8.204 1.00 0.00 C ATOM 167 C CYS A 14 16.352 -12.065 -7.856 1.00 0.00 C ATOM 168 O CYS A 14 15.472 -11.425 -7.282 1.00 0.00 O ATOM 169 CB CYS A 14 17.544 -10.394 -9.333 1.00 0.00 C ATOM 170 SG CYS A 14 16.511 -8.939 -8.935 1.00 0.00 S ATOM 0 H CYS A 14 18.812 -12.512 -9.627 1.00 0.00 H new ATOM 0 HA CYS A 14 18.096 -10.929 -7.322 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.535 -10.044 -9.621 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.116 -10.892 -10.203 1.00 0.00 H new ATOM 0 HG CYS A 14 15.599 -9.277 -8.072 1.00 0.00 H new ATOM 175 N ARG A 15 16.200 -13.328 -8.232 1.00 0.00 N ATOM 176 CA ARG A 15 15.003 -14.102 -7.920 1.00 0.00 C ATOM 177 C ARG A 15 15.115 -14.747 -6.548 1.00 0.00 C ATOM 178 O ARG A 15 14.199 -15.433 -6.098 1.00 0.00 O ATOM 179 CB ARG A 15 14.780 -15.190 -8.968 1.00 0.00 C ATOM 180 CG ARG A 15 14.196 -14.693 -10.268 1.00 0.00 C ATOM 181 CD ARG A 15 12.801 -14.139 -10.055 1.00 0.00 C ATOM 182 NE ARG A 15 12.127 -13.827 -11.310 1.00 0.00 N ATOM 183 CZ ARG A 15 10.801 -13.798 -11.454 1.00 0.00 C ATOM 184 NH1 ARG A 15 10.013 -14.060 -10.413 1.00 0.00 N ATOM 185 NH2 ARG A 15 10.264 -13.510 -12.634 1.00 0.00 N ATOM 0 H ARG A 15 16.902 -13.846 -8.761 1.00 0.00 H new ATOM 0 HA ARG A 15 14.156 -13.416 -7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.732 -15.679 -9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 15 14.116 -15.948 -8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.839 -13.920 -10.688 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.162 -15.508 -10.992 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.207 -14.863 -9.497 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.861 -13.238 -9.444 1.00 0.00 H new ATOM 0 HE ARG A 15 12.703 -13.619 -12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.423 -14.283 -9.506 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.999 -14.038 -10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.866 -13.310 -13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.250 -13.489 -12.741 1.00 0.00 H new ATOM 199 N SER A 16 16.232 -14.535 -5.892 1.00 0.00 N ATOM 200 CA SER A 16 16.463 -15.119 -4.589 1.00 0.00 C ATOM 201 C SER A 16 16.121 -14.132 -3.476 1.00 0.00 C ATOM 202 O SER A 16 16.154 -12.917 -3.677 1.00 0.00 O ATOM 203 CB SER A 16 17.916 -15.560 -4.483 1.00 0.00 C ATOM 204 OG SER A 16 18.261 -16.402 -5.574 1.00 0.00 O ATOM 0 H SER A 16 16.999 -13.960 -6.240 1.00 0.00 H new ATOM 0 HA SER A 16 15.812 -15.986 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.567 -14.686 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.074 -16.089 -3.543 1.00 0.00 H new ATOM 0 HG SER A 16 19.198 -16.676 -5.492 1.00 0.00 H new ATOM 210 N GLU A 17 15.784 -14.663 -2.311 1.00 0.00 N ATOM 211 CA GLU A 17 15.460 -13.846 -1.155 1.00 0.00 C ATOM 212 C GLU A 17 16.128 -14.406 0.113 1.00 0.00 C ATOM 213 O GLU A 17 15.791 -15.504 0.573 1.00 0.00 O ATOM 214 CB GLU A 17 13.939 -13.738 -0.973 1.00 0.00 C ATOM 215 CG GLU A 17 13.205 -15.073 -0.979 1.00 0.00 C ATOM 216 CD GLU A 17 11.734 -14.925 -0.661 1.00 0.00 C ATOM 217 OE1 GLU A 17 10.931 -14.751 -1.595 1.00 0.00 O ATOM 218 OE2 GLU A 17 11.372 -14.984 0.533 1.00 0.00 O ATOM 0 H GLU A 17 15.728 -15.667 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 17 15.850 -12.843 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.734 -13.229 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.534 -13.112 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.317 -15.541 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.666 -15.741 -0.251 1.00 0.00 H new ATOM 225 N PRO A 18 17.111 -13.673 0.691 1.00 0.00 N ATOM 226 CA PRO A 18 17.576 -12.372 0.168 1.00 0.00 C ATOM 227 C PRO A 18 18.276 -12.504 -1.185 1.00 0.00 C ATOM 228 O PRO A 18 18.659 -13.610 -1.594 1.00 0.00 O ATOM 229 CB PRO A 18 18.569 -11.895 1.232 1.00 0.00 C ATOM 230 CG PRO A 18 19.024 -13.140 1.908 1.00 0.00 C ATOM 231 CD PRO A 18 17.842 -14.062 1.908 1.00 0.00 C ATOM 0 HA PRO A 18 16.747 -11.685 -0.004 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.405 -11.360 0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 18 18.096 -11.211 1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.867 -13.586 1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.358 -12.933 2.925 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.147 -15.108 1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.232 -13.934 2.802 1.00 0.00 H new ATOM 239 N CYS A 19 18.449 -11.373 -1.857 1.00 0.00 N ATOM 240 CA CYS A 19 19.031 -11.334 -3.191 1.00 0.00 C ATOM 241 C CYS A 19 20.432 -11.956 -3.211 1.00 0.00 C ATOM 242 O CYS A 19 21.147 -11.938 -2.206 1.00 0.00 O ATOM 243 CB CYS A 19 19.074 -9.903 -3.688 1.00 0.00 C ATOM 244 SG CYS A 19 19.163 -9.763 -5.472 1.00 0.00 S ATOM 0 H CYS A 19 18.189 -10.457 -1.492 1.00 0.00 H new ATOM 0 HA CYS A 19 18.403 -11.926 -3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.186 -9.378 -3.335 1.00 0.00 H new ATOM 0 HB3 CYS A 19 19.936 -9.401 -3.249 1.00 0.00 H new ATOM 0 HG CYS A 19 19.194 -8.507 -5.808 1.00 0.00 H new ATOM 249 N GLN A 20 20.821 -12.500 -4.358 1.00 0.00 N ATOM 250 CA GLN A 20 22.090 -13.221 -4.473 1.00 0.00 C ATOM 251 C GLN A 20 22.936 -12.748 -5.653 1.00 0.00 C ATOM 252 O GLN A 20 23.852 -13.455 -6.076 1.00 0.00 O ATOM 253 CB GLN A 20 21.803 -14.710 -4.635 1.00 0.00 C ATOM 254 CG GLN A 20 21.226 -15.368 -3.396 1.00 0.00 C ATOM 255 CD GLN A 20 22.221 -15.440 -2.257 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.960 -16.417 -2.125 1.00 0.00 O ATOM 257 NE2 GLN A 20 22.256 -14.411 -1.435 1.00 0.00 N ATOM 0 H GLN A 20 20.280 -12.458 -5.222 1.00 0.00 H new ATOM 0 HA GLN A 20 22.659 -13.023 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.108 -14.847 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.727 -15.220 -4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.347 -14.812 -3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.892 -16.375 -3.646 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.627 -13.621 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.912 -14.404 -0.654 1.00 0.00 H new ATOM 266 N CYS A 21 22.640 -11.578 -6.186 1.00 0.00 N ATOM 267 CA CYS A 21 23.384 -11.074 -7.337 1.00 0.00 C ATOM 268 C CYS A 21 24.837 -10.758 -6.993 1.00 0.00 C ATOM 269 O CYS A 21 25.742 -11.527 -7.336 1.00 0.00 O ATOM 270 CB CYS A 21 22.697 -9.860 -7.931 1.00 0.00 C ATOM 271 SG CYS A 21 21.068 -10.211 -8.598 1.00 0.00 S ATOM 0 H CYS A 21 21.900 -10.961 -5.850 1.00 0.00 H new ATOM 0 HA CYS A 21 23.397 -11.869 -8.083 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.608 -9.091 -7.163 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.324 -9.449 -8.723 1.00 0.00 H new ATOM 0 HG CYS A 21 20.182 -10.116 -7.652 1.00 0.00 H new ATOM 276 N GLY A 22 25.059 -9.633 -6.320 1.00 0.00 N ATOM 277 CA GLY A 22 26.402 -9.239 -5.946 1.00 0.00 C ATOM 278 C GLY A 22 27.330 -9.113 -7.143 1.00 0.00 C ATOM 279 O GLY A 22 27.124 -8.269 -8.014 1.00 0.00 O ATOM 0 H GLY A 22 24.328 -8.985 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.363 -8.285 -5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.811 -9.971 -5.250 1.00 0.00 H new ATOM 283 N SER A 23 28.326 -9.977 -7.197 1.00 0.00 N ATOM 284 CA SER A 23 29.310 -9.961 -8.265 1.00 0.00 C ATOM 285 C SER A 23 28.743 -10.560 -9.554 1.00 0.00 C ATOM 286 O SER A 23 29.272 -10.331 -10.643 1.00 0.00 O ATOM 287 CB SER A 23 30.555 -10.740 -7.829 1.00 0.00 C ATOM 288 OG SER A 23 30.217 -12.060 -7.418 1.00 0.00 O ATOM 0 H SER A 23 28.476 -10.709 -6.503 1.00 0.00 H new ATOM 0 HA SER A 23 29.578 -8.924 -8.467 1.00 0.00 H new ATOM 0 HB2 SER A 23 31.267 -10.784 -8.653 1.00 0.00 H new ATOM 0 HB3 SER A 23 31.047 -10.216 -7.010 1.00 0.00 H new ATOM 0 HG SER A 23 31.029 -12.536 -7.146 1.00 0.00 H new ATOM 294 N LYS A 24 27.659 -11.307 -9.428 1.00 0.00 N ATOM 295 CA LYS A 24 27.055 -11.978 -10.570 1.00 0.00 C ATOM 296 C LYS A 24 25.840 -11.224 -11.074 1.00 0.00 C ATOM 297 O LYS A 24 24.992 -11.793 -11.762 1.00 0.00 O ATOM 298 CB LYS A 24 26.657 -13.406 -10.194 1.00 0.00 C ATOM 299 CG LYS A 24 27.810 -14.250 -9.687 1.00 0.00 C ATOM 300 CD LYS A 24 28.898 -14.389 -10.731 1.00 0.00 C ATOM 301 CE LYS A 24 30.088 -15.148 -10.186 1.00 0.00 C ATOM 302 NZ LYS A 24 30.696 -14.460 -9.020 1.00 0.00 N ATOM 0 H LYS A 24 27.177 -11.465 -8.543 1.00 0.00 H new ATOM 0 HA LYS A 24 27.796 -12.006 -11.369 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.883 -13.367 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.219 -13.892 -11.066 1.00 0.00 H new ATOM 0 HG2 LYS A 24 28.225 -13.798 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 24 27.444 -15.238 -9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.503 -14.907 -11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 24 29.215 -13.400 -11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.776 -16.151 -9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.836 -15.263 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.725 -14.391 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 30.294 -13.505 -8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 30.496 -15.001 -8.155 1.00 0.00 H new ATOM 316 N CYS A 25 25.753 -9.950 -10.748 1.00 0.00 N ATOM 317 CA CYS A 25 24.626 -9.168 -11.183 1.00 0.00 C ATOM 318 C CYS A 25 24.708 -8.870 -12.668 1.00 0.00 C ATOM 319 O CYS A 25 25.656 -8.243 -13.147 1.00 0.00 O ATOM 320 CB CYS A 25 24.488 -7.876 -10.404 1.00 0.00 C ATOM 321 SG CYS A 25 22.922 -7.038 -10.724 1.00 0.00 S ATOM 0 H CYS A 25 26.442 -9.444 -10.191 1.00 0.00 H new ATOM 0 HA CYS A 25 23.738 -9.770 -10.990 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.571 -8.088 -9.338 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.312 -7.210 -10.662 1.00 0.00 H new ATOM 0 HG CYS A 25 23.024 -5.786 -10.389 1.00 0.00 H new ATOM 326 N GLN A 26 23.718 -9.335 -13.381 1.00 0.00 N ATOM 327 CA GLN A 26 23.618 -9.135 -14.807 1.00 0.00 C ATOM 328 C GLN A 26 22.325 -8.415 -15.136 1.00 0.00 C ATOM 329 O GLN A 26 21.981 -8.248 -16.308 1.00 0.00 O ATOM 330 CB GLN A 26 23.655 -10.482 -15.526 1.00 0.00 C ATOM 331 CG GLN A 26 25.006 -11.171 -15.495 1.00 0.00 C ATOM 332 CD GLN A 26 24.947 -12.566 -16.077 1.00 0.00 C ATOM 333 OE1 GLN A 26 24.128 -12.853 -16.952 1.00 0.00 O ATOM 334 NE2 GLN A 26 25.804 -13.441 -15.602 1.00 0.00 N ATOM 0 H GLN A 26 22.946 -9.871 -12.985 1.00 0.00 H new ATOM 0 HA GLN A 26 24.461 -8.529 -15.140 1.00 0.00 H new ATOM 0 HB2 GLN A 26 22.914 -11.142 -15.075 1.00 0.00 H new ATOM 0 HB3 GLN A 26 23.360 -10.334 -16.565 1.00 0.00 H new ATOM 0 HG2 GLN A 26 25.729 -10.576 -16.053 1.00 0.00 H new ATOM 0 HG3 GLN A 26 25.363 -11.223 -14.466 1.00 0.00 H new ATOM 0 HE21 GLN A 26 26.467 -13.164 -14.878 1.00 0.00 H new ATOM 0 HE22 GLN A 26 25.807 -14.397 -15.958 1.00 0.00 H new ATOM 343 N CYS A 27 21.614 -7.985 -14.089 1.00 0.00 N ATOM 344 CA CYS A 27 20.333 -7.312 -14.250 1.00 0.00 C ATOM 345 C CYS A 27 20.456 -6.100 -15.147 1.00 0.00 C ATOM 346 O CYS A 27 21.183 -5.150 -14.846 1.00 0.00 O ATOM 347 CB CYS A 27 19.743 -6.914 -12.897 1.00 0.00 C ATOM 348 SG CYS A 27 19.211 -8.313 -11.880 1.00 0.00 S ATOM 0 H CYS A 27 21.910 -8.094 -13.119 1.00 0.00 H new ATOM 0 HA CYS A 27 19.654 -8.020 -14.725 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.486 -6.339 -12.344 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.890 -6.256 -13.064 1.00 0.00 H new ATOM 0 HG CYS A 27 17.913 -8.327 -11.807 1.00 0.00 H new ATOM 353 N GLY A 28 19.758 -6.151 -16.253 1.00 0.00 N ATOM 354 CA GLY A 28 19.795 -5.069 -17.202 1.00 0.00 C ATOM 355 C GLY A 28 18.768 -4.009 -16.891 1.00 0.00 C ATOM 356 O GLY A 28 18.137 -4.037 -15.826 1.00 0.00 O ATOM 0 H GLY A 28 19.157 -6.931 -16.518 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.789 -4.622 -17.203 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.620 -5.460 -18.204 1.00 0.00 H new ATOM 360 N GLU A 29 18.590 -3.073 -17.808 1.00 0.00 N ATOM 361 CA GLU A 29 17.614 -2.020 -17.621 1.00 0.00 C ATOM 362 C GLU A 29 16.201 -2.608 -17.561 1.00 0.00 C ATOM 363 O GLU A 29 15.705 -3.192 -18.530 1.00 0.00 O ATOM 364 CB GLU A 29 17.735 -0.948 -18.711 1.00 0.00 C ATOM 365 CG GLU A 29 17.672 -1.481 -20.129 1.00 0.00 C ATOM 366 CD GLU A 29 17.750 -0.386 -21.160 1.00 0.00 C ATOM 367 OE1 GLU A 29 16.732 0.299 -21.383 1.00 0.00 O ATOM 368 OE2 GLU A 29 18.829 -0.197 -21.762 1.00 0.00 O ATOM 0 H GLU A 29 19.108 -3.023 -18.685 1.00 0.00 H new ATOM 0 HA GLU A 29 17.816 -1.530 -16.669 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.937 -0.218 -18.575 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.678 -0.417 -18.578 1.00 0.00 H new ATOM 0 HG2 GLU A 29 18.491 -2.183 -20.287 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.744 -2.037 -20.264 1.00 0.00 H new ATOM 375 N GLY A 30 15.583 -2.470 -16.412 1.00 0.00 N ATOM 376 CA GLY A 30 14.273 -3.031 -16.192 1.00 0.00 C ATOM 377 C GLY A 30 14.139 -3.550 -14.783 1.00 0.00 C ATOM 378 O GLY A 30 13.039 -3.842 -14.316 1.00 0.00 O ATOM 0 H GLY A 30 15.970 -1.971 -15.611 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.512 -2.273 -16.378 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.096 -3.840 -16.900 1.00 0.00 H new ATOM 382 N CYS A 31 15.273 -3.678 -14.108 1.00 0.00 N ATOM 383 CA CYS A 31 15.296 -4.111 -12.730 1.00 0.00 C ATOM 384 C CYS A 31 14.844 -2.979 -11.828 1.00 0.00 C ATOM 385 O CYS A 31 15.020 -1.796 -12.155 1.00 0.00 O ATOM 386 CB CYS A 31 16.701 -4.577 -12.329 1.00 0.00 C ATOM 387 SG CYS A 31 16.856 -5.057 -10.588 1.00 0.00 S ATOM 0 H CYS A 31 16.194 -3.485 -14.503 1.00 0.00 H new ATOM 0 HA CYS A 31 14.613 -4.953 -12.619 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.983 -5.424 -12.954 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.411 -3.776 -12.538 1.00 0.00 H new ATOM 0 HG CYS A 31 18.076 -5.436 -10.349 1.00 0.00 H new ATOM 392 N THR A 32 14.269 -3.332 -10.709 1.00 0.00 N ATOM 393 CA THR A 32 13.769 -2.360 -9.779 1.00 0.00 C ATOM 394 C THR A 32 14.147 -2.763 -8.348 1.00 0.00 C ATOM 395 O THR A 32 13.618 -2.234 -7.368 1.00 0.00 O ATOM 396 CB THR A 32 12.230 -2.220 -9.931 1.00 0.00 C ATOM 397 OG1 THR A 32 11.743 -1.112 -9.169 1.00 0.00 O ATOM 398 CG2 THR A 32 11.512 -3.496 -9.496 1.00 0.00 C ATOM 0 H THR A 32 14.135 -4.301 -10.419 1.00 0.00 H new ATOM 0 HA THR A 32 14.221 -1.391 -9.992 1.00 0.00 H new ATOM 0 HB THR A 32 12.022 -2.046 -10.987 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.168 -1.110 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.436 -3.366 -9.614 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.847 -4.330 -10.113 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.740 -3.703 -8.450 1.00 0.00 H new ATOM 406 N CYS A 33 15.094 -3.686 -8.245 1.00 0.00 N ATOM 407 CA CYS A 33 15.548 -4.182 -6.960 1.00 0.00 C ATOM 408 C CYS A 33 16.761 -3.387 -6.485 1.00 0.00 C ATOM 409 O CYS A 33 17.773 -3.322 -7.168 1.00 0.00 O ATOM 410 CB CYS A 33 15.896 -5.666 -7.066 1.00 0.00 C ATOM 411 SG CYS A 33 16.391 -6.422 -5.507 1.00 0.00 S ATOM 0 H CYS A 33 15.564 -4.107 -9.046 1.00 0.00 H new ATOM 0 HA CYS A 33 14.746 -4.060 -6.232 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.033 -6.203 -7.459 1.00 0.00 H new ATOM 0 HB3 CYS A 33 16.703 -5.788 -7.788 1.00 0.00 H new ATOM 0 HG CYS A 33 16.663 -7.678 -5.701 1.00 0.00 H new ATOM 416 N ALA A 34 16.655 -2.795 -5.305 1.00 0.00 N ATOM 417 CA ALA A 34 17.730 -1.968 -4.765 1.00 0.00 C ATOM 418 C ALA A 34 18.787 -2.802 -4.040 1.00 0.00 C ATOM 419 O ALA A 34 19.710 -2.258 -3.435 1.00 0.00 O ATOM 420 CB ALA A 34 17.162 -0.907 -3.836 1.00 0.00 C ATOM 0 H ALA A 34 15.837 -2.870 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 34 18.223 -1.481 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.974 -0.297 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.468 -0.273 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.635 -1.389 -3.012 1.00 0.00 H new ATOM 426 N ALA A 35 18.657 -4.117 -4.106 1.00 0.00 N ATOM 427 CA ALA A 35 19.608 -5.007 -3.456 1.00 0.00 C ATOM 428 C ALA A 35 20.853 -5.179 -4.307 1.00 0.00 C ATOM 429 O ALA A 35 21.963 -5.321 -3.791 1.00 0.00 O ATOM 430 CB ALA A 35 18.972 -6.356 -3.183 1.00 0.00 C ATOM 0 H ALA A 35 17.903 -4.592 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 35 19.898 -4.557 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.697 -7.008 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.108 -6.226 -2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.653 -6.805 -4.124 1.00 0.00 H new ATOM 436 N CYS A 36 20.665 -5.176 -5.605 1.00 0.00 N ATOM 437 CA CYS A 36 21.762 -5.324 -6.532 1.00 0.00 C ATOM 438 C CYS A 36 22.052 -4.016 -7.255 1.00 0.00 C ATOM 439 O CYS A 36 23.208 -3.712 -7.570 1.00 0.00 O ATOM 440 CB CYS A 36 21.441 -6.432 -7.518 1.00 0.00 C ATOM 441 SG CYS A 36 19.750 -6.379 -8.136 1.00 0.00 S ATOM 0 H CYS A 36 19.752 -5.071 -6.047 1.00 0.00 H new ATOM 0 HA CYS A 36 22.661 -5.591 -5.976 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.129 -6.368 -8.361 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.614 -7.395 -7.038 1.00 0.00 H new ATOM 0 HG CYS A 36 19.563 -7.357 -8.972 1.00 0.00 H new ATOM 446 N LYS A 37 21.002 -3.246 -7.496 1.00 0.00 N ATOM 447 CA LYS A 37 21.105 -1.960 -8.163 1.00 0.00 C ATOM 448 C LYS A 37 21.941 -0.989 -7.334 1.00 0.00 C ATOM 449 O LYS A 37 21.527 -0.551 -6.256 1.00 0.00 O ATOM 450 CB LYS A 37 19.707 -1.399 -8.395 1.00 0.00 C ATOM 451 CG LYS A 37 19.656 -0.034 -9.045 1.00 0.00 C ATOM 452 CD LYS A 37 18.219 0.432 -9.166 1.00 0.00 C ATOM 453 CE LYS A 37 18.124 1.837 -9.709 1.00 0.00 C ATOM 454 NZ LYS A 37 16.719 2.300 -9.759 1.00 0.00 N ATOM 0 H LYS A 37 20.050 -3.498 -7.232 1.00 0.00 H new ATOM 0 HA LYS A 37 21.602 -2.094 -9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.151 -2.100 -9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.191 -1.346 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.230 0.680 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.117 -0.075 -10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.672 -0.247 -9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.740 0.388 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.709 2.511 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.557 1.873 -10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.686 3.269 -10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.167 1.669 -10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.315 2.288 -8.801 1.00 0.00 H new ATOM 468 N THR A 38 23.114 -0.676 -7.831 1.00 0.00 N ATOM 469 CA THR A 38 24.016 0.218 -7.151 1.00 0.00 C ATOM 470 C THR A 38 24.150 1.536 -7.923 1.00 0.00 C ATOM 471 O THR A 38 23.671 1.659 -9.056 1.00 0.00 O ATOM 472 CB THR A 38 25.411 -0.443 -6.961 1.00 0.00 C ATOM 473 OG1 THR A 38 26.293 0.430 -6.240 1.00 0.00 O ATOM 474 CG2 THR A 38 26.033 -0.808 -8.303 1.00 0.00 C ATOM 0 H THR A 38 23.468 -1.034 -8.718 1.00 0.00 H new ATOM 0 HA THR A 38 23.602 0.433 -6.166 1.00 0.00 H new ATOM 0 HB THR A 38 25.266 -1.357 -6.385 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.165 -0.004 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.007 -1.268 -8.139 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.384 -1.510 -8.826 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.154 0.093 -8.905 1.00 0.00 H new ATOM 482 N CYS A 39 24.784 2.511 -7.303 1.00 0.00 N ATOM 483 CA CYS A 39 24.988 3.811 -7.903 1.00 0.00 C ATOM 484 C CYS A 39 26.170 4.489 -7.250 1.00 0.00 C ATOM 485 O CYS A 39 26.457 4.255 -6.075 1.00 0.00 O ATOM 486 CB CYS A 39 23.726 4.665 -7.755 1.00 0.00 C ATOM 487 SG CYS A 39 23.861 6.338 -8.410 1.00 0.00 S ATOM 0 H CYS A 39 25.173 2.422 -6.364 1.00 0.00 H new ATOM 0 HA CYS A 39 25.194 3.690 -8.966 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.902 4.159 -8.258 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.467 4.724 -6.698 1.00 0.00 H new ATOM 0 HG CYS A 39 24.273 7.139 -7.473 1.00 0.00 H new ATOM 492 N ASN A 40 26.863 5.308 -8.009 1.00 0.00 N ATOM 493 CA ASN A 40 28.048 5.976 -7.512 1.00 0.00 C ATOM 494 C ASN A 40 27.884 7.481 -7.478 1.00 0.00 C ATOM 495 O ASN A 40 28.742 8.191 -6.958 1.00 0.00 O ATOM 496 CB ASN A 40 29.255 5.569 -8.336 1.00 0.00 C ATOM 497 CG ASN A 40 29.678 4.143 -8.036 1.00 0.00 C ATOM 498 OD1 ASN A 40 29.752 3.729 -6.876 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.886 3.366 -9.070 1.00 0.00 N ATOM 0 H ASN A 40 26.626 5.529 -8.976 1.00 0.00 H new ATOM 0 HA ASN A 40 28.204 5.660 -6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 40 29.022 5.665 -9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.083 6.247 -8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 40 30.118 2.383 -8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 40 29.816 3.744 -10.015 1.00 0.00 H new ATOM 506 N CYS A 41 26.791 7.974 -8.034 1.00 0.00 N ATOM 507 CA CYS A 41 26.504 9.384 -7.956 1.00 0.00 C ATOM 508 C CYS A 41 25.873 9.654 -6.604 1.00 0.00 C ATOM 509 O CYS A 41 24.978 8.935 -6.182 1.00 0.00 O ATOM 510 CB CYS A 41 25.580 9.825 -9.095 1.00 0.00 C ATOM 511 SG CYS A 41 26.287 9.592 -10.767 1.00 0.00 S ATOM 0 H CYS A 41 26.098 7.421 -8.538 1.00 0.00 H new ATOM 0 HA CYS A 41 27.424 9.959 -8.061 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.646 9.267 -9.027 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.333 10.878 -8.961 1.00 0.00 H new ATOM 0 HG CYS A 41 25.363 9.789 -11.660 1.00 0.00 H new ATOM 516 N THR A 42 26.352 10.658 -5.922 1.00 0.00 N ATOM 517 CA THR A 42 25.897 10.933 -4.578 1.00 0.00 C ATOM 518 C THR A 42 25.126 12.241 -4.505 1.00 0.00 C ATOM 519 O THR A 42 24.998 12.949 -5.502 1.00 0.00 O ATOM 520 CB THR A 42 27.089 10.974 -3.602 1.00 0.00 C ATOM 521 OG1 THR A 42 28.100 11.868 -4.103 1.00 0.00 O ATOM 522 CG2 THR A 42 27.684 9.582 -3.428 1.00 0.00 C ATOM 0 H THR A 42 27.060 11.304 -6.272 1.00 0.00 H new ATOM 0 HA THR A 42 25.224 10.126 -4.290 1.00 0.00 H new ATOM 0 HB THR A 42 26.733 11.330 -2.635 1.00 0.00 H new ATOM 0 HG1 THR A 42 28.560 12.296 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.525 9.630 -2.736 1.00 0.00 H new ATOM 0 HG22 THR A 42 26.924 8.909 -3.031 1.00 0.00 H new ATOM 0 HG23 THR A 42 28.029 9.211 -4.393 1.00 0.00 H new ATOM 530 N SER A 43 24.624 12.562 -3.309 1.00 0.00 N ATOM 531 CA SER A 43 23.859 13.787 -3.077 1.00 0.00 C ATOM 532 C SER A 43 24.689 15.031 -3.394 1.00 0.00 C ATOM 533 O SER A 43 24.149 16.129 -3.554 1.00 0.00 O ATOM 534 CB SER A 43 23.368 13.823 -1.632 1.00 0.00 C ATOM 535 OG SER A 43 24.439 13.594 -0.727 1.00 0.00 O ATOM 0 H SER A 43 24.737 11.981 -2.478 1.00 0.00 H new ATOM 0 HA SER A 43 23.000 13.787 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 43 22.911 14.790 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 43 22.596 13.067 -1.487 1.00 0.00 H new ATOM 0 HG SER A 43 24.102 13.623 0.193 1.00 0.00 H new ATOM 541 N ASP A 44 26.007 14.847 -3.472 1.00 0.00 N ATOM 542 CA ASP A 44 26.931 15.914 -3.839 1.00 0.00 C ATOM 543 C ASP A 44 26.549 16.463 -5.199 1.00 0.00 C ATOM 544 O ASP A 44 26.615 17.668 -5.445 1.00 0.00 O ATOM 545 CB ASP A 44 28.366 15.375 -3.908 1.00 0.00 C ATOM 546 CG ASP A 44 28.863 14.828 -2.592 1.00 0.00 C ATOM 547 OD1 ASP A 44 29.628 15.531 -1.905 1.00 0.00 O ATOM 548 OD2 ASP A 44 28.491 13.686 -2.237 1.00 0.00 O ATOM 0 H ASP A 44 26.461 13.954 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 44 26.877 16.700 -3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 44 28.416 14.589 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 44 29.031 16.174 -4.236 1.00 0.00 H new ATOM 553 N GLY A 45 26.130 15.564 -6.064 1.00 0.00 N ATOM 554 CA GLY A 45 25.746 15.913 -7.396 1.00 0.00 C ATOM 555 C GLY A 45 25.903 14.733 -8.317 1.00 0.00 C ATOM 556 O GLY A 45 26.725 13.846 -8.061 1.00 0.00 O ATOM 0 H GLY A 45 26.049 14.569 -5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.710 16.253 -7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.357 16.743 -7.751 1.00 0.00 H new ATOM 560 N CYS A 46 25.118 14.700 -9.368 1.00 0.00 N ATOM 561 CA CYS A 46 25.187 13.621 -10.327 1.00 0.00 C ATOM 562 C CYS A 46 26.517 13.683 -11.082 1.00 0.00 C ATOM 563 O CYS A 46 27.040 14.774 -11.347 1.00 0.00 O ATOM 564 CB CYS A 46 24.022 13.720 -11.304 1.00 0.00 C ATOM 565 SG CYS A 46 24.038 12.482 -12.612 1.00 0.00 S ATOM 0 H CYS A 46 24.420 15.412 -9.582 1.00 0.00 H new ATOM 0 HA CYS A 46 25.124 12.669 -9.801 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.089 13.631 -10.748 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.028 14.711 -11.758 1.00 0.00 H new ATOM 0 HG CYS A 46 23.781 11.313 -12.106 1.00 0.00 H new ATOM 570 N LYS A 47 27.067 12.528 -11.416 1.00 0.00 N ATOM 571 CA LYS A 47 28.347 12.477 -12.105 1.00 0.00 C ATOM 572 C LYS A 47 28.234 11.846 -13.489 1.00 0.00 C ATOM 573 O LYS A 47 29.093 12.064 -14.347 1.00 0.00 O ATOM 574 CB LYS A 47 29.375 11.708 -11.271 1.00 0.00 C ATOM 575 CG LYS A 47 29.715 12.364 -9.941 1.00 0.00 C ATOM 576 CD LYS A 47 30.774 11.575 -9.184 1.00 0.00 C ATOM 577 CE LYS A 47 30.260 10.211 -8.754 1.00 0.00 C ATOM 578 NZ LYS A 47 31.310 9.410 -8.080 1.00 0.00 N ATOM 0 H LYS A 47 26.651 11.617 -11.223 1.00 0.00 H new ATOM 0 HA LYS A 47 28.678 13.508 -12.235 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.995 10.704 -11.082 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.290 11.598 -11.853 1.00 0.00 H new ATOM 0 HG2 LYS A 47 30.072 13.379 -10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.814 12.443 -9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.654 11.450 -9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 47 31.089 12.139 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 47 29.413 10.339 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 47 29.895 9.669 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 30.864 8.703 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 31.891 8.927 -8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 31.913 10.037 -7.510 1.00 0.00 H new ATOM 592 N CYS A 48 27.191 11.064 -13.712 1.00 0.00 N ATOM 593 CA CYS A 48 27.035 10.389 -14.989 1.00 0.00 C ATOM 594 C CYS A 48 26.250 11.253 -15.977 1.00 0.00 C ATOM 595 O CYS A 48 26.488 11.200 -17.184 1.00 0.00 O ATOM 596 CB CYS A 48 26.353 9.037 -14.797 1.00 0.00 C ATOM 597 SG CYS A 48 24.572 9.134 -14.556 1.00 0.00 S ATOM 0 H CYS A 48 26.449 10.882 -13.036 1.00 0.00 H new ATOM 0 HA CYS A 48 28.028 10.222 -15.407 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.557 8.413 -15.668 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.798 8.538 -13.936 1.00 0.00 H new ATOM 0 HG CYS A 48 24.089 7.937 -14.405 1.00 0.00 H new ATOM 602 N GLY A 49 25.318 12.046 -15.463 1.00 0.00 N ATOM 603 CA GLY A 49 24.542 12.919 -16.320 1.00 0.00 C ATOM 604 C GLY A 49 23.051 12.624 -16.285 1.00 0.00 C ATOM 605 O GLY A 49 22.256 13.355 -16.879 1.00 0.00 O ATOM 0 H GLY A 49 25.087 12.100 -14.471 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.708 13.953 -16.019 1.00 0.00 H new ATOM 0 HA3 GLY A 49 24.901 12.823 -17.345 1.00 0.00 H new ATOM 609 N LYS A 50 22.664 11.566 -15.584 1.00 0.00 N ATOM 610 CA LYS A 50 21.252 11.179 -15.484 1.00 0.00 C ATOM 611 C LYS A 50 20.521 12.033 -14.450 1.00 0.00 C ATOM 612 O LYS A 50 19.306 11.920 -14.290 1.00 0.00 O ATOM 613 CB LYS A 50 21.132 9.703 -15.100 1.00 0.00 C ATOM 614 CG LYS A 50 21.646 8.726 -16.149 1.00 0.00 C ATOM 615 CD LYS A 50 20.655 8.536 -17.284 1.00 0.00 C ATOM 616 CE LYS A 50 21.074 7.382 -18.186 1.00 0.00 C ATOM 617 NZ LYS A 50 20.037 7.057 -19.199 1.00 0.00 N ATOM 0 H LYS A 50 23.304 10.957 -15.074 1.00 0.00 H new ATOM 0 HA LYS A 50 20.792 11.340 -16.459 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.679 9.538 -14.172 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.085 9.479 -14.897 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.592 9.090 -16.551 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.848 7.763 -15.679 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.663 8.342 -16.877 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.586 9.453 -17.869 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.006 7.638 -18.691 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.273 6.500 -17.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.365 6.267 -19.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.155 6.788 -18.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.864 7.889 -19.798 1.00 0.00 H new ATOM 631 N GLU A 51 21.285 12.881 -13.755 1.00 0.00 N ATOM 632 CA GLU A 51 20.764 13.760 -12.701 1.00 0.00 C ATOM 633 C GLU A 51 20.323 12.947 -11.487 1.00 0.00 C ATOM 634 O GLU A 51 19.505 13.397 -10.683 1.00 0.00 O ATOM 635 CB GLU A 51 19.619 14.644 -13.218 1.00 0.00 C ATOM 636 CG GLU A 51 20.039 15.631 -14.299 1.00 0.00 C ATOM 637 CD GLU A 51 21.104 16.601 -13.826 1.00 0.00 C ATOM 638 OE1 GLU A 51 20.759 17.571 -13.117 1.00 0.00 O ATOM 639 OE2 GLU A 51 22.286 16.410 -14.174 1.00 0.00 O ATOM 0 H GLU A 51 22.289 12.978 -13.908 1.00 0.00 H new ATOM 0 HA GLU A 51 21.573 14.422 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.829 14.004 -13.611 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.194 15.197 -12.380 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.413 15.080 -15.162 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.166 16.191 -14.632 1.00 0.00 H new ATOM 646 N CYS A 52 20.891 11.765 -11.349 1.00 0.00 N ATOM 647 CA CYS A 52 20.574 10.884 -10.248 1.00 0.00 C ATOM 648 C CYS A 52 21.547 11.099 -9.107 1.00 0.00 C ATOM 649 O CYS A 52 22.692 11.501 -9.319 1.00 0.00 O ATOM 650 CB CYS A 52 20.639 9.433 -10.704 1.00 0.00 C ATOM 651 SG CYS A 52 22.240 8.951 -11.387 1.00 0.00 S ATOM 0 H CYS A 52 21.584 11.391 -11.997 1.00 0.00 H new ATOM 0 HA CYS A 52 19.564 11.109 -9.904 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.406 8.786 -9.858 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.868 9.264 -11.456 1.00 0.00 H new ATOM 0 HG CYS A 52 22.201 7.702 -11.745 1.00 0.00 H new ATOM 656 N THR A 53 21.092 10.851 -7.900 1.00 0.00 N ATOM 657 CA THR A 53 21.938 10.973 -6.739 1.00 0.00 C ATOM 658 C THR A 53 21.663 9.822 -5.764 1.00 0.00 C ATOM 659 O THR A 53 20.879 9.965 -4.822 1.00 0.00 O ATOM 660 CB THR A 53 21.726 12.325 -6.010 1.00 0.00 C ATOM 661 OG1 THR A 53 20.338 12.497 -5.677 1.00 0.00 O ATOM 662 CG2 THR A 53 22.188 13.497 -6.867 1.00 0.00 C ATOM 0 H THR A 53 20.135 10.562 -7.698 1.00 0.00 H new ATOM 0 HA THR A 53 22.971 10.931 -7.083 1.00 0.00 H new ATOM 0 HB THR A 53 22.324 12.306 -5.099 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.016 11.705 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 53 22.025 14.429 -6.326 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.249 13.388 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.620 13.513 -7.797 1.00 0.00 H new ATOM 670 N GLY A 54 22.260 8.677 -6.023 1.00 0.00 N ATOM 671 CA GLY A 54 22.076 7.533 -5.154 1.00 0.00 C ATOM 672 C GLY A 54 21.238 6.452 -5.807 1.00 0.00 C ATOM 673 O GLY A 54 20.415 6.752 -6.661 1.00 0.00 O ATOM 0 H GLY A 54 22.873 8.514 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.049 7.123 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.597 7.854 -4.229 1.00 0.00 H new ATOM 677 N PRO A 55 21.419 5.173 -5.404 1.00 0.00 N ATOM 678 CA PRO A 55 20.704 4.026 -5.999 1.00 0.00 C ATOM 679 C PRO A 55 19.179 4.187 -6.010 1.00 0.00 C ATOM 680 O PRO A 55 18.522 3.850 -6.999 1.00 0.00 O ATOM 681 CB PRO A 55 21.113 2.831 -5.113 1.00 0.00 C ATOM 682 CG PRO A 55 21.742 3.437 -3.898 1.00 0.00 C ATOM 683 CD PRO A 55 22.335 4.741 -4.340 1.00 0.00 C ATOM 0 HA PRO A 55 20.970 3.910 -7.050 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.247 2.224 -4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.813 2.177 -5.633 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.002 3.592 -3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.509 2.780 -3.488 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.377 5.463 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.353 4.618 -4.709 1.00 0.00 H new ATOM 691 N ASP A 56 18.625 4.718 -4.925 1.00 0.00 N ATOM 692 CA ASP A 56 17.170 4.887 -4.812 1.00 0.00 C ATOM 693 C ASP A 56 16.667 6.030 -5.699 1.00 0.00 C ATOM 694 O ASP A 56 15.503 6.062 -6.091 1.00 0.00 O ATOM 695 CB ASP A 56 16.766 5.123 -3.351 1.00 0.00 C ATOM 696 CG ASP A 56 15.263 5.230 -3.160 1.00 0.00 C ATOM 697 OD1 ASP A 56 14.570 4.188 -3.240 1.00 0.00 O ATOM 698 OD2 ASP A 56 14.771 6.347 -2.914 1.00 0.00 O ATOM 0 H ASP A 56 19.153 5.039 -4.113 1.00 0.00 H new ATOM 0 HA ASP A 56 16.702 3.966 -5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.147 4.306 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.238 6.038 -2.993 1.00 0.00 H new ATOM 703 N SER A 57 17.554 6.953 -6.027 1.00 0.00 N ATOM 704 CA SER A 57 17.203 8.081 -6.880 1.00 0.00 C ATOM 705 C SER A 57 17.779 7.875 -8.282 1.00 0.00 C ATOM 706 O SER A 57 17.787 8.787 -9.109 1.00 0.00 O ATOM 707 CB SER A 57 17.727 9.391 -6.271 1.00 0.00 C ATOM 708 OG SER A 57 17.393 10.510 -7.083 1.00 0.00 O ATOM 0 H SER A 57 18.525 6.946 -5.716 1.00 0.00 H new ATOM 0 HA SER A 57 16.117 8.145 -6.954 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.307 9.524 -5.274 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.809 9.333 -6.156 1.00 0.00 H new ATOM 0 HG SER A 57 17.399 10.243 -8.026 1.00 0.00 H new ATOM 714 N CYS A 58 18.240 6.672 -8.537 1.00 0.00 N ATOM 715 CA CYS A 58 18.859 6.333 -9.798 1.00 0.00 C ATOM 716 C CYS A 58 17.887 5.570 -10.687 1.00 0.00 C ATOM 717 O CYS A 58 16.994 4.883 -10.195 1.00 0.00 O ATOM 718 CB CYS A 58 20.115 5.490 -9.531 1.00 0.00 C ATOM 719 SG CYS A 58 20.935 4.843 -11.002 1.00 0.00 S ATOM 0 H CYS A 58 18.196 5.898 -7.874 1.00 0.00 H new ATOM 0 HA CYS A 58 19.139 7.249 -10.318 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.829 6.097 -8.975 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.841 4.652 -8.890 1.00 0.00 H new ATOM 0 HG CYS A 58 20.538 3.625 -11.220 1.00 0.00 H new ATOM 724 N LYS A 59 18.048 5.712 -11.988 1.00 0.00 N ATOM 725 CA LYS A 59 17.236 4.974 -12.948 1.00 0.00 C ATOM 726 C LYS A 59 18.090 3.943 -13.658 1.00 0.00 C ATOM 727 O LYS A 59 17.599 2.902 -14.098 1.00 0.00 O ATOM 728 CB LYS A 59 16.612 5.915 -13.980 1.00 0.00 C ATOM 729 CG LYS A 59 15.535 6.832 -13.433 1.00 0.00 C ATOM 730 CD LYS A 59 14.899 7.635 -14.553 1.00 0.00 C ATOM 731 CE LYS A 59 13.734 8.474 -14.061 1.00 0.00 C ATOM 732 NZ LYS A 59 13.076 9.198 -15.175 1.00 0.00 N ATOM 0 H LYS A 59 18.737 6.334 -12.411 1.00 0.00 H new ATOM 0 HA LYS A 59 16.434 4.477 -12.402 1.00 0.00 H new ATOM 0 HB2 LYS A 59 17.401 6.525 -14.419 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.186 5.317 -14.786 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.773 6.243 -12.922 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.965 7.507 -12.693 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.649 8.285 -15.004 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.553 6.957 -15.334 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.007 7.832 -13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.088 9.190 -13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.285 9.761 -14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.764 9.828 -15.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.717 8.513 -15.870 1.00 0.00 H new ATOM 746 N CYS A 60 19.372 4.243 -13.748 1.00 0.00 N ATOM 747 CA CYS A 60 20.332 3.399 -14.416 1.00 0.00 C ATOM 748 C CYS A 60 20.449 2.050 -13.711 1.00 0.00 C ATOM 749 O CYS A 60 20.693 1.987 -12.500 1.00 0.00 O ATOM 750 CB CYS A 60 21.678 4.103 -14.416 1.00 0.00 C ATOM 751 SG CYS A 60 21.548 5.906 -14.377 1.00 0.00 S ATOM 0 H CYS A 60 19.776 5.092 -13.353 1.00 0.00 H new ATOM 0 HA CYS A 60 20.003 3.217 -15.439 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.254 3.769 -13.553 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.235 3.806 -15.305 1.00 0.00 H new ATOM 0 HG CYS A 60 21.274 6.295 -13.167 1.00 0.00 H new ATOM 756 N GLY A 61 20.287 0.986 -14.468 1.00 0.00 N ATOM 757 CA GLY A 61 20.362 -0.338 -13.902 1.00 0.00 C ATOM 758 C GLY A 61 21.777 -0.855 -13.866 1.00 0.00 C ATOM 759 O GLY A 61 22.320 -1.125 -12.796 1.00 0.00 O ATOM 0 H GLY A 61 20.104 1.014 -15.471 1.00 0.00 H new ATOM 0 HA2 GLY A 61 19.955 -0.324 -12.891 1.00 0.00 H new ATOM 0 HA3 GLY A 61 19.742 -1.018 -14.486 1.00 0.00 H new ATOM 763 N SER A 62 22.387 -0.969 -15.030 1.00 0.00 N ATOM 764 CA SER A 62 23.739 -1.470 -15.131 1.00 0.00 C ATOM 765 C SER A 62 24.384 -0.984 -16.430 1.00 0.00 C ATOM 766 O SER A 62 23.709 -0.378 -17.277 1.00 0.00 O ATOM 767 CB SER A 62 23.734 -3.011 -15.068 1.00 0.00 C ATOM 768 OG SER A 62 25.050 -3.535 -14.963 1.00 0.00 O ATOM 0 H SER A 62 21.962 -0.719 -15.923 1.00 0.00 H new ATOM 0 HA SER A 62 24.325 -1.091 -14.294 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.142 -3.339 -14.213 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.253 -3.411 -15.961 1.00 0.00 H new ATOM 0 HG SER A 62 25.010 -4.513 -14.924 1.00 0.00 H new ATOM 774 N SER A 63 25.692 -1.227 -16.562 1.00 0.00 N ATOM 775 CA SER A 63 26.468 -0.857 -17.753 1.00 0.00 C ATOM 776 C SER A 63 26.539 0.663 -17.942 1.00 0.00 C ATOM 777 O SER A 63 26.764 1.153 -19.046 1.00 0.00 O ATOM 778 CB SER A 63 25.881 -1.523 -19.002 1.00 0.00 C ATOM 779 OG SER A 63 25.690 -2.915 -18.797 1.00 0.00 O ATOM 0 H SER A 63 26.247 -1.689 -15.841 1.00 0.00 H new ATOM 0 HA SER A 63 27.486 -1.216 -17.603 1.00 0.00 H new ATOM 0 HB2 SER A 63 24.929 -1.055 -19.254 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.548 -1.365 -19.850 1.00 0.00 H new ATOM 0 HG SER A 63 25.313 -3.316 -19.608 1.00 0.00 H new ATOM 785 N CYS A 64 26.368 1.404 -16.863 1.00 0.00 N ATOM 786 CA CYS A 64 26.419 2.848 -16.938 1.00 0.00 C ATOM 787 C CYS A 64 27.717 3.378 -16.327 1.00 0.00 C ATOM 788 O CYS A 64 28.458 2.634 -15.678 1.00 0.00 O ATOM 789 CB CYS A 64 25.207 3.462 -16.246 1.00 0.00 C ATOM 790 SG CYS A 64 25.098 5.258 -16.409 1.00 0.00 S ATOM 0 H CYS A 64 26.194 1.030 -15.930 1.00 0.00 H new ATOM 0 HA CYS A 64 26.397 3.137 -17.989 1.00 0.00 H new ATOM 0 HB2 CYS A 64 24.302 3.015 -16.657 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.237 3.205 -15.187 1.00 0.00 H new ATOM 0 HG CYS A 64 24.037 5.686 -15.792 1.00 0.00 H new ATOM 795 N SER A 65 27.974 4.663 -16.525 1.00 0.00 N ATOM 796 CA SER A 65 29.185 5.298 -16.038 1.00 0.00 C ATOM 797 C SER A 65 29.179 5.457 -14.514 1.00 0.00 C ATOM 798 O SER A 65 30.233 5.577 -13.898 1.00 0.00 O ATOM 799 CB SER A 65 29.368 6.657 -16.714 1.00 0.00 C ATOM 800 OG SER A 65 29.388 6.518 -18.131 1.00 0.00 O ATOM 0 H SER A 65 27.348 5.292 -17.028 1.00 0.00 H new ATOM 0 HA SER A 65 30.024 4.650 -16.291 1.00 0.00 H new ATOM 0 HB2 SER A 65 28.559 7.326 -16.421 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.298 7.114 -16.376 1.00 0.00 H new ATOM 0 HG SER A 65 29.504 7.399 -18.544 1.00 0.00 H new ATOM 806 N CYS A 66 27.998 5.449 -13.905 1.00 0.00 N ATOM 807 CA CYS A 66 27.910 5.590 -12.458 1.00 0.00 C ATOM 808 C CYS A 66 27.869 4.221 -11.779 1.00 0.00 C ATOM 809 O CYS A 66 27.476 4.103 -10.619 1.00 0.00 O ATOM 810 CB CYS A 66 26.686 6.430 -12.057 1.00 0.00 C ATOM 811 SG CYS A 66 25.090 5.620 -12.292 1.00 0.00 S ATOM 0 H CYS A 66 27.102 5.348 -14.382 1.00 0.00 H new ATOM 0 HA CYS A 66 28.804 6.113 -12.120 1.00 0.00 H new ATOM 0 HB2 CYS A 66 26.784 6.708 -11.008 1.00 0.00 H new ATOM 0 HB3 CYS A 66 26.695 7.355 -12.634 1.00 0.00 H new ATOM 0 HG CYS A 66 24.137 6.422 -11.919 1.00 0.00 H new ATOM 816 N LYS A 67 28.287 3.187 -12.502 1.00 0.00 N ATOM 817 CA LYS A 67 28.309 1.832 -11.956 1.00 0.00 C ATOM 818 C LYS A 67 29.741 1.315 -11.899 1.00 0.00 C ATOM 819 O LYS A 67 30.283 0.981 -12.988 1.00 0.00 O ATOM 820 CB LYS A 67 27.453 0.876 -12.803 1.00 0.00 C ATOM 821 CG LYS A 67 26.074 1.407 -13.161 1.00 0.00 C ATOM 822 CD LYS A 67 25.303 1.863 -11.936 1.00 0.00 C ATOM 823 CE LYS A 67 23.951 2.425 -12.326 1.00 0.00 C ATOM 824 NZ LYS A 67 23.341 3.212 -11.231 1.00 0.00 N ATOM 0 H LYS A 67 28.615 3.260 -13.465 1.00 0.00 H new ATOM 0 HA LYS A 67 27.891 1.870 -10.950 1.00 0.00 H new ATOM 0 HB2 LYS A 67 27.990 0.648 -13.724 1.00 0.00 H new ATOM 0 HB3 LYS A 67 27.337 -0.063 -12.261 1.00 0.00 H new ATOM 0 HG2 LYS A 67 26.176 2.241 -13.856 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.509 0.630 -13.676 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.169 1.024 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.876 2.621 -11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.061 3.056 -13.208 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.284 1.608 -12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.349 3.420 -11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.382 2.666 -10.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.863 4.104 -11.112 1.00 0.00 H new