USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 488 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 26 HIS : no HE2:sc= -13! C(o=-17!,f=-21!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -163:sc= 0.00647 (180deg=-0.466) USER MOD Set 1.3: A 30 HIS : no HE2:sc= -4.48 K(o=-17,f=-19!) USER MOD Set 2.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 44 CYS SG : rot -96:sc= -6.07! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 169:sc= -0.921 (180deg=-1.59) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -142:sc= -1.73 USER MOD Single : A 15 TYR OH : rot 178:sc= -2.01 USER MOD Single : A 20 GLN : amide:sc= -0.72 K(o=-0.72,f=-2.4) USER MOD Single : A 21 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 27 LYS NZ :NH3+ 131:sc= 0.511 (180deg=-1.09!) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.0619 (180deg=-0.686) USER MOD Single : A 34 SER OG : rot 180:sc= -0.081 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.243 F(o=-1.8,f=-0.24) USER MOD Single : A 38 SER OG : rot 85:sc= 0.0396 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00737 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -164:sc= -0.215 (180deg=-0.912) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0095) USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.0955 (180deg=-0.63) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0759) USER MOD Single : A 62 MET CE :methyl 179:sc= -0.638 (180deg=-0.639) USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= -0.0223 (180deg=-0.274) USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.18 (180deg=-0.866) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LYS A 11 -9.231 -5.469 4.696 1.00 0.00 N ATOM 155 CA LYS A 11 -8.820 -4.418 3.712 1.00 0.00 C ATOM 156 C LYS A 11 -7.462 -3.815 4.078 1.00 0.00 C ATOM 157 O LYS A 11 -7.223 -3.424 5.201 1.00 0.00 O ATOM 158 CB LYS A 11 -9.903 -3.275 3.629 1.00 0.00 C ATOM 159 CG LYS A 11 -10.683 -3.102 4.965 1.00 0.00 C ATOM 160 CD LYS A 11 -9.803 -2.401 6.038 1.00 0.00 C ATOM 161 CE LYS A 11 -10.706 -1.586 6.982 1.00 0.00 C ATOM 162 NZ LYS A 11 -9.921 -1.055 8.133 1.00 0.00 N ATOM 0 HA LYS A 11 -8.735 -4.899 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.416 -2.335 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.606 -3.501 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.585 -2.516 4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.003 -4.077 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.240 -3.143 6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.075 -1.747 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.162 -0.761 6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.519 -2.214 7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.547 -0.508 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.506 -1.847 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.161 -0.439 7.780 1.00 0.00 H new ATOM 176 N MET A 12 -6.603 -3.768 3.106 1.00 0.00 N ATOM 177 CA MET A 12 -5.251 -3.211 3.330 1.00 0.00 C ATOM 178 C MET A 12 -5.285 -1.686 3.428 1.00 0.00 C ATOM 179 O MET A 12 -6.169 -1.044 2.895 1.00 0.00 O ATOM 180 CB MET A 12 -4.384 -3.606 2.111 1.00 0.00 C ATOM 181 CG MET A 12 -3.788 -4.998 2.326 1.00 0.00 C ATOM 182 SD MET A 12 -3.052 -5.808 0.884 1.00 0.00 S ATOM 183 CE MET A 12 -2.384 -4.314 0.097 1.00 0.00 C ATOM 0 H MET A 12 -6.783 -4.095 2.157 1.00 0.00 H new ATOM 0 HA MET A 12 -4.850 -3.602 4.265 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.989 -3.596 1.205 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.586 -2.877 1.970 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.024 -4.924 3.100 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.573 -5.646 2.715 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.716 -4.599 -0.716 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.203 -3.714 -0.299 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.831 -3.731 0.833 1.00 0.00 H new ATOM 193 N SER A 13 -4.303 -1.143 4.107 1.00 0.00 N ATOM 194 CA SER A 13 -4.233 0.330 4.262 1.00 0.00 C ATOM 195 C SER A 13 -3.575 0.936 3.031 1.00 0.00 C ATOM 196 O SER A 13 -3.215 0.225 2.118 1.00 0.00 O ATOM 197 CB SER A 13 -3.372 0.646 5.496 1.00 0.00 C ATOM 198 OG SER A 13 -3.996 -0.077 6.544 1.00 0.00 O ATOM 0 H SER A 13 -3.550 -1.663 4.558 1.00 0.00 H new ATOM 0 HA SER A 13 -5.235 0.743 4.380 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.339 0.330 5.353 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.352 1.715 5.706 1.00 0.00 H new ATOM 0 HG SER A 13 -3.504 0.068 7.379 1.00 0.00 H new ATOM 204 N SER A 14 -3.420 2.226 3.020 1.00 0.00 N ATOM 205 CA SER A 14 -2.786 2.860 1.847 1.00 0.00 C ATOM 206 C SER A 14 -1.314 2.521 1.797 1.00 0.00 C ATOM 207 O SER A 14 -0.720 2.466 0.736 1.00 0.00 O ATOM 208 CB SER A 14 -2.946 4.379 1.977 1.00 0.00 C ATOM 209 OG SER A 14 -2.649 4.866 0.686 1.00 0.00 O ATOM 0 H SER A 14 -3.703 2.861 3.767 1.00 0.00 H new ATOM 0 HA SER A 14 -3.260 2.497 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.957 4.649 2.283 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.267 4.789 2.724 1.00 0.00 H new ATOM 0 HG SER A 14 -2.149 5.706 0.760 1.00 0.00 H new ATOM 215 N TYR A 15 -0.747 2.295 2.944 1.00 0.00 N ATOM 216 CA TYR A 15 0.684 1.957 2.985 1.00 0.00 C ATOM 217 C TYR A 15 0.881 0.537 2.506 1.00 0.00 C ATOM 218 O TYR A 15 1.674 0.275 1.633 1.00 0.00 O ATOM 219 CB TYR A 15 1.184 2.060 4.449 1.00 0.00 C ATOM 220 CG TYR A 15 2.553 1.352 4.587 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.533 1.498 3.616 1.00 0.00 C ATOM 222 CD2 TYR A 15 2.805 0.525 5.661 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.728 0.834 3.721 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.007 -0.141 5.761 1.00 0.00 C ATOM 225 CZ TYR A 15 4.974 0.008 4.789 1.00 0.00 C ATOM 226 OH TYR A 15 6.154 -0.682 4.869 1.00 0.00 O ATOM 0 H TYR A 15 -1.216 2.331 3.849 1.00 0.00 H new ATOM 0 HA TYR A 15 1.239 2.643 2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.275 3.107 4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.459 1.604 5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.353 2.142 2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.056 0.398 6.428 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.481 0.962 2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.194 -0.785 6.608 1.00 0.00 H new ATOM 0 HH TYR A 15 6.178 -1.193 5.705 1.00 0.00 H new ATOM 236 N ALA A 16 0.171 -0.361 3.118 1.00 0.00 N ATOM 237 CA ALA A 16 0.299 -1.763 2.718 1.00 0.00 C ATOM 238 C ALA A 16 0.056 -1.912 1.225 1.00 0.00 C ATOM 239 O ALA A 16 0.544 -2.838 0.608 1.00 0.00 O ATOM 240 CB ALA A 16 -0.736 -2.587 3.481 1.00 0.00 C ATOM 0 H ALA A 16 -0.488 -0.176 3.874 1.00 0.00 H new ATOM 0 HA ALA A 16 1.306 -2.112 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.652 -3.635 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.560 -2.491 4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.736 -2.225 3.244 1.00 0.00 H new ATOM 246 N PHE A 17 -0.695 -0.990 0.662 1.00 0.00 N ATOM 247 CA PHE A 17 -0.967 -1.080 -0.791 1.00 0.00 C ATOM 248 C PHE A 17 0.286 -0.707 -1.545 1.00 0.00 C ATOM 249 O PHE A 17 0.547 -1.213 -2.605 1.00 0.00 O ATOM 250 CB PHE A 17 -2.128 -0.088 -1.142 1.00 0.00 C ATOM 251 CG PHE A 17 -3.338 -0.859 -1.684 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.377 -1.254 -3.009 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.413 -1.152 -0.863 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.474 -1.924 -3.505 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.507 -1.824 -1.363 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.537 -2.208 -2.684 1.00 0.00 C ATOM 0 H PHE A 17 -1.119 -0.198 1.144 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.261 -2.092 -1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.415 0.476 -0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.787 0.635 -1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.542 -1.036 -3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.394 -0.852 0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.498 -2.226 -4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.342 -2.050 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.396 -2.733 -3.075 1.00 0.00 H new ATOM 266 N PHE A 18 1.036 0.174 -0.969 1.00 0.00 N ATOM 267 CA PHE A 18 2.290 0.608 -1.623 1.00 0.00 C ATOM 268 C PHE A 18 3.348 -0.468 -1.432 1.00 0.00 C ATOM 269 O PHE A 18 4.314 -0.520 -2.164 1.00 0.00 O ATOM 270 CB PHE A 18 2.741 1.960 -0.991 1.00 0.00 C ATOM 271 CG PHE A 18 4.255 2.162 -1.144 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.130 1.626 -0.220 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.763 2.895 -2.203 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.486 1.820 -0.350 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.123 3.087 -2.329 1.00 0.00 C ATOM 276 CZ PHE A 18 6.982 2.549 -1.402 1.00 0.00 C ATOM 0 H PHE A 18 0.836 0.615 -0.071 1.00 0.00 H new ATOM 0 HA PHE A 18 2.139 0.755 -2.692 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.211 2.784 -1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.473 1.979 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.748 1.051 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.091 3.319 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.162 1.397 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.513 3.661 -3.157 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.047 2.699 -1.501 1.00 0.00 H new ATOM 286 N VAL A 19 3.133 -1.322 -0.439 1.00 0.00 N ATOM 287 CA VAL A 19 4.109 -2.401 -0.184 1.00 0.00 C ATOM 288 C VAL A 19 3.878 -3.522 -1.141 1.00 0.00 C ATOM 289 O VAL A 19 4.808 -4.098 -1.641 1.00 0.00 O ATOM 290 CB VAL A 19 3.949 -2.925 1.262 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.866 -4.149 1.459 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.368 -1.815 2.245 1.00 0.00 C ATOM 0 H VAL A 19 2.328 -1.302 0.187 1.00 0.00 H new ATOM 0 HA VAL A 19 5.116 -2.007 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 19 2.912 -3.209 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.759 -4.524 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.586 -4.931 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.902 -3.859 1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.259 -2.175 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.408 -1.543 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.734 -0.941 2.098 1.00 0.00 H new ATOM 302 N GLN A 20 2.641 -3.841 -1.368 1.00 0.00 N ATOM 303 CA GLN A 20 2.372 -4.930 -2.304 1.00 0.00 C ATOM 304 C GLN A 20 2.884 -4.483 -3.654 1.00 0.00 C ATOM 305 O GLN A 20 3.259 -5.279 -4.498 1.00 0.00 O ATOM 306 CB GLN A 20 0.830 -5.235 -2.315 1.00 0.00 C ATOM 307 CG GLN A 20 0.070 -4.440 -3.426 1.00 0.00 C ATOM 308 CD GLN A 20 0.032 -5.252 -4.740 1.00 0.00 C ATOM 309 OE1 GLN A 20 0.781 -6.187 -4.935 1.00 0.00 O ATOM 310 NE2 GLN A 20 -0.833 -4.922 -5.663 1.00 0.00 N ATOM 0 H GLN A 20 1.824 -3.397 -0.949 1.00 0.00 H new ATOM 0 HA GLN A 20 2.873 -5.856 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.675 -6.303 -2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.407 -4.987 -1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.946 -4.223 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.561 -3.482 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.468 -4.138 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.873 -5.448 -6.536 1.00 0.00 H new ATOM 319 N THR A 21 2.917 -3.179 -3.802 1.00 0.00 N ATOM 320 CA THR A 21 3.397 -2.584 -5.062 1.00 0.00 C ATOM 321 C THR A 21 4.893 -2.526 -5.007 1.00 0.00 C ATOM 322 O THR A 21 5.562 -2.642 -6.014 1.00 0.00 O ATOM 323 CB THR A 21 2.824 -1.170 -5.196 1.00 0.00 C ATOM 324 OG1 THR A 21 1.425 -1.326 -5.110 1.00 0.00 O ATOM 325 CG2 THR A 21 3.045 -0.619 -6.602 1.00 0.00 C ATOM 0 H THR A 21 2.627 -2.508 -3.091 1.00 0.00 H new ATOM 0 HA THR A 21 3.079 -3.179 -5.918 1.00 0.00 H new ATOM 0 HB THR A 21 3.281 -0.520 -4.450 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.144 -1.247 -4.174 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.628 0.386 -6.669 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.113 -0.584 -6.815 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.551 -1.265 -7.328 1.00 0.00 H new ATOM 333 N SER A 22 5.406 -2.340 -3.821 1.00 0.00 N ATOM 334 CA SER A 22 6.863 -2.282 -3.693 1.00 0.00 C ATOM 335 C SER A 22 7.394 -3.655 -3.992 1.00 0.00 C ATOM 336 O SER A 22 8.461 -3.818 -4.519 1.00 0.00 O ATOM 337 CB SER A 22 7.236 -1.905 -2.248 1.00 0.00 C ATOM 338 OG SER A 22 8.646 -1.759 -2.287 1.00 0.00 O ATOM 0 H SER A 22 4.877 -2.229 -2.956 1.00 0.00 H new ATOM 0 HA SER A 22 7.281 -1.541 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.747 -0.982 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.934 -2.679 -1.542 1.00 0.00 H new ATOM 0 HG SER A 22 8.974 -1.515 -1.397 1.00 0.00 H new ATOM 344 N ARG A 23 6.598 -4.627 -3.643 1.00 0.00 N ATOM 345 CA ARG A 23 6.986 -6.037 -3.880 1.00 0.00 C ATOM 346 C ARG A 23 7.119 -6.280 -5.376 1.00 0.00 C ATOM 347 O ARG A 23 8.019 -6.959 -5.827 1.00 0.00 O ATOM 348 CB ARG A 23 5.849 -6.949 -3.283 1.00 0.00 C ATOM 349 CG ARG A 23 6.438 -8.007 -2.311 1.00 0.00 C ATOM 350 CD ARG A 23 5.343 -8.479 -1.320 1.00 0.00 C ATOM 351 NE ARG A 23 5.533 -9.935 -1.058 1.00 0.00 N ATOM 352 CZ ARG A 23 5.258 -10.799 -2.001 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.820 -10.359 -3.148 1.00 0.00 N ATOM 354 NH2 ARG A 23 5.434 -12.071 -1.765 1.00 0.00 N ATOM 0 H ARG A 23 5.688 -4.499 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 23 7.941 -6.264 -3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.121 -6.331 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.317 -7.449 -4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.822 -8.857 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.279 -7.582 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.407 -7.916 -0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.352 -8.296 -1.736 1.00 0.00 H new ATOM 0 HE ARG A 23 5.874 -10.254 -0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.698 -9.357 -3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.600 -11.017 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.781 -12.378 -0.856 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.224 -12.758 -2.489 1.00 0.00 H new ATOM 368 N GLU A 24 6.209 -5.716 -6.111 1.00 0.00 N ATOM 369 CA GLU A 24 6.242 -5.884 -7.583 1.00 0.00 C ATOM 370 C GLU A 24 7.303 -4.975 -8.166 1.00 0.00 C ATOM 371 O GLU A 24 7.282 -4.658 -9.342 1.00 0.00 O ATOM 372 CB GLU A 24 4.870 -5.482 -8.153 1.00 0.00 C ATOM 373 CG GLU A 24 3.817 -6.488 -7.681 1.00 0.00 C ATOM 374 CD GLU A 24 4.075 -7.844 -8.343 1.00 0.00 C ATOM 375 OE1 GLU A 24 4.146 -7.849 -9.562 1.00 0.00 O ATOM 376 OE2 GLU A 24 4.189 -8.798 -7.593 1.00 0.00 O ATOM 0 H GLU A 24 5.443 -5.145 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 24 6.468 -6.920 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.605 -4.478 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.907 -5.460 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.854 -6.588 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.819 -6.132 -7.934 1.00 0.00 H new ATOM 383 N GLU A 25 8.213 -4.566 -7.303 1.00 0.00 N ATOM 384 CA GLU A 25 9.320 -3.674 -7.712 1.00 0.00 C ATOM 385 C GLU A 25 10.598 -4.040 -6.950 1.00 0.00 C ATOM 386 O GLU A 25 11.684 -3.659 -7.344 1.00 0.00 O ATOM 387 CB GLU A 25 8.906 -2.220 -7.377 1.00 0.00 C ATOM 388 CG GLU A 25 7.926 -1.711 -8.440 1.00 0.00 C ATOM 389 CD GLU A 25 7.742 -0.198 -8.275 1.00 0.00 C ATOM 390 OE1 GLU A 25 8.618 0.509 -8.748 1.00 0.00 O ATOM 391 OE2 GLU A 25 6.736 0.164 -7.687 1.00 0.00 O ATOM 0 H GLU A 25 8.222 -4.826 -6.317 1.00 0.00 H new ATOM 0 HA GLU A 25 9.516 -3.779 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.443 -2.180 -6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.787 -1.579 -7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.304 -1.937 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.967 -2.219 -8.340 1.00 0.00 H new ATOM 398 N HIS A 26 10.427 -4.792 -5.863 1.00 0.00 N ATOM 399 CA HIS A 26 11.603 -5.224 -5.027 1.00 0.00 C ATOM 400 C HIS A 26 12.036 -6.634 -5.430 1.00 0.00 C ATOM 401 O HIS A 26 13.193 -6.963 -5.395 1.00 0.00 O ATOM 402 CB HIS A 26 11.158 -5.198 -3.517 1.00 0.00 C ATOM 403 CG HIS A 26 11.837 -6.314 -2.689 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.611 -6.120 -1.729 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.706 -7.689 -2.784 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.982 -7.213 -1.203 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.457 -8.276 -1.813 1.00 0.00 N ATOM 0 H HIS A 26 9.521 -5.120 -5.527 1.00 0.00 H new ATOM 0 HA HIS A 26 12.449 -4.553 -5.179 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.402 -4.228 -3.085 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.076 -5.311 -3.457 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.908 -5.198 -1.408 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.104 -8.212 -3.512 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.649 -7.276 -0.356 1.00 0.00 H new ATOM 415 N LYS A 27 11.101 -7.442 -5.810 1.00 0.00 N ATOM 416 CA LYS A 27 11.476 -8.812 -6.206 1.00 0.00 C ATOM 417 C LYS A 27 12.373 -8.794 -7.444 1.00 0.00 C ATOM 418 O LYS A 27 12.905 -9.813 -7.841 1.00 0.00 O ATOM 419 CB LYS A 27 10.189 -9.600 -6.522 1.00 0.00 C ATOM 420 CG LYS A 27 9.537 -9.050 -7.800 1.00 0.00 C ATOM 421 CD LYS A 27 8.166 -9.700 -7.979 1.00 0.00 C ATOM 422 CE LYS A 27 7.608 -9.315 -9.349 1.00 0.00 C ATOM 423 NZ LYS A 27 6.221 -9.830 -9.511 1.00 0.00 N ATOM 0 H LYS A 27 10.107 -7.218 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 27 12.025 -9.282 -5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.422 -10.657 -6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.492 -9.525 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.434 -7.967 -7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.168 -9.258 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.250 -10.784 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.488 -9.372 -7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.615 -8.231 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.246 -9.719 -10.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.605 -9.065 -9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.219 -10.610 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.869 -10.175 -8.595 1.00 0.00 H new ATOM 437 N LYS A 28 12.532 -7.623 -8.023 1.00 0.00 N ATOM 438 CA LYS A 28 13.385 -7.498 -9.239 1.00 0.00 C ATOM 439 C LYS A 28 14.870 -7.328 -8.901 1.00 0.00 C ATOM 440 O LYS A 28 15.706 -7.378 -9.782 1.00 0.00 O ATOM 441 CB LYS A 28 12.912 -6.267 -10.021 1.00 0.00 C ATOM 442 CG LYS A 28 11.490 -6.526 -10.531 1.00 0.00 C ATOM 443 CD LYS A 28 10.982 -5.294 -11.282 1.00 0.00 C ATOM 444 CE LYS A 28 9.559 -5.568 -11.775 1.00 0.00 C ATOM 445 NZ LYS A 28 9.529 -6.778 -12.641 1.00 0.00 N ATOM 0 H LYS A 28 12.106 -6.754 -7.702 1.00 0.00 H new ATOM 0 HA LYS A 28 13.287 -8.415 -9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.929 -5.384 -9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.583 -6.069 -10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.481 -7.395 -11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.829 -6.753 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.993 -4.422 -10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.636 -5.069 -12.124 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.894 -5.707 -10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.189 -4.707 -12.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.671 -6.764 -13.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.368 -6.786 -13.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.527 -7.631 -12.046 1.00 0.00 H new ATOM 459 N LYS A 29 15.185 -7.125 -7.639 1.00 0.00 N ATOM 460 CA LYS A 29 16.628 -6.956 -7.276 1.00 0.00 C ATOM 461 C LYS A 29 16.875 -7.174 -5.774 1.00 0.00 C ATOM 462 O LYS A 29 17.605 -6.428 -5.149 1.00 0.00 O ATOM 463 CB LYS A 29 17.093 -5.527 -7.699 1.00 0.00 C ATOM 464 CG LYS A 29 16.176 -4.447 -7.079 1.00 0.00 C ATOM 465 CD LYS A 29 16.252 -3.160 -7.924 1.00 0.00 C ATOM 466 CE LYS A 29 15.747 -1.971 -7.096 1.00 0.00 C ATOM 467 NZ LYS A 29 14.508 -2.333 -6.356 1.00 0.00 N ATOM 0 H LYS A 29 14.523 -7.070 -6.865 1.00 0.00 H new ATOM 0 HA LYS A 29 17.206 -7.712 -7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.122 -5.365 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.080 -5.442 -8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.148 -4.808 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.482 -4.240 -6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.279 -2.983 -8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.651 -3.269 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.518 -1.658 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.550 -1.123 -7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.026 -1.467 -6.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.876 -2.873 -6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.755 -2.912 -5.528 1.00 0.00 H new ATOM 481 N HIS A 30 16.245 -8.209 -5.235 1.00 0.00 N ATOM 482 CA HIS A 30 16.404 -8.535 -3.775 1.00 0.00 C ATOM 483 C HIS A 30 16.373 -10.077 -3.571 1.00 0.00 C ATOM 484 O HIS A 30 15.481 -10.607 -2.937 1.00 0.00 O ATOM 485 CB HIS A 30 15.210 -7.924 -2.985 1.00 0.00 C ATOM 486 CG HIS A 30 15.343 -6.392 -2.857 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.496 -5.788 -1.776 1.00 0.00 N ATOM 488 CD2 HIS A 30 15.258 -5.400 -3.817 1.00 0.00 C ATOM 489 CE1 HIS A 30 15.513 -4.532 -1.942 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.368 -4.185 -3.216 1.00 0.00 N ATOM 0 H HIS A 30 15.629 -8.839 -5.749 1.00 0.00 H new ATOM 0 HA HIS A 30 17.352 -8.129 -3.422 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.275 -8.168 -3.489 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.163 -8.371 -1.992 1.00 0.00 H new ATOM 0 HD1 HIS A 30 15.595 -6.248 -0.871 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.125 -5.564 -4.876 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.632 -3.822 -1.137 1.00 0.00 H new ATOM 498 N PRO A 31 17.361 -10.773 -4.133 1.00 0.00 N ATOM 499 CA PRO A 31 17.430 -12.233 -4.005 1.00 0.00 C ATOM 500 C PRO A 31 17.759 -12.651 -2.571 1.00 0.00 C ATOM 501 O PRO A 31 17.359 -13.706 -2.115 1.00 0.00 O ATOM 502 CB PRO A 31 18.589 -12.663 -4.969 1.00 0.00 C ATOM 503 CG PRO A 31 19.267 -11.346 -5.489 1.00 0.00 C ATOM 504 CD PRO A 31 18.445 -10.155 -4.927 1.00 0.00 C ATOM 0 HA PRO A 31 16.478 -12.703 -4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 31 19.313 -13.289 -4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 31 18.201 -13.251 -5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.303 -11.289 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.280 -11.324 -6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.065 -9.506 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.042 -9.540 -5.732 1.00 0.00 H new ATOM 512 N ASP A 32 18.481 -11.816 -1.897 1.00 0.00 N ATOM 513 CA ASP A 32 18.859 -12.127 -0.494 1.00 0.00 C ATOM 514 C ASP A 32 17.699 -11.923 0.468 1.00 0.00 C ATOM 515 O ASP A 32 17.557 -12.645 1.435 1.00 0.00 O ATOM 516 CB ASP A 32 20.006 -11.187 -0.090 1.00 0.00 C ATOM 517 CG ASP A 32 20.683 -11.726 1.170 1.00 0.00 C ATOM 518 OD1 ASP A 32 21.579 -12.536 0.998 1.00 0.00 O ATOM 519 OD2 ASP A 32 20.268 -11.298 2.234 1.00 0.00 O ATOM 0 H ASP A 32 18.830 -10.926 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 32 19.156 -13.174 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.730 -11.110 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 32 19.622 -10.183 0.091 1.00 0.00 H new ATOM 524 N ALA A 33 16.895 -10.951 0.191 1.00 0.00 N ATOM 525 CA ALA A 33 15.743 -10.687 1.080 1.00 0.00 C ATOM 526 C ALA A 33 14.675 -11.778 0.966 1.00 0.00 C ATOM 527 O ALA A 33 14.150 -12.237 1.961 1.00 0.00 O ATOM 528 CB ALA A 33 15.118 -9.333 0.680 1.00 0.00 C ATOM 0 H ALA A 33 16.983 -10.327 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 33 16.099 -10.671 2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.266 -9.121 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.861 -8.543 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.785 -9.378 -0.357 1.00 0.00 H new ATOM 534 N SER A 34 14.377 -12.170 -0.248 1.00 0.00 N ATOM 535 CA SER A 34 13.349 -13.224 -0.448 1.00 0.00 C ATOM 536 C SER A 34 12.037 -12.815 0.214 1.00 0.00 C ATOM 537 O SER A 34 11.101 -13.585 0.278 1.00 0.00 O ATOM 538 CB SER A 34 13.858 -14.531 0.187 1.00 0.00 C ATOM 539 OG SER A 34 15.264 -14.473 0.010 1.00 0.00 O ATOM 0 H SER A 34 14.801 -11.805 -1.101 1.00 0.00 H new ATOM 0 HA SER A 34 13.172 -13.364 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.591 -14.593 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.430 -15.406 -0.302 1.00 0.00 H new ATOM 0 HG SER A 34 15.675 -15.276 0.392 1.00 0.00 H new ATOM 545 N VAL A 35 12.010 -11.594 0.679 1.00 0.00 N ATOM 546 CA VAL A 35 10.801 -11.056 1.349 1.00 0.00 C ATOM 547 C VAL A 35 10.211 -12.025 2.368 1.00 0.00 C ATOM 548 O VAL A 35 9.283 -12.754 2.073 1.00 0.00 O ATOM 549 CB VAL A 35 9.748 -10.757 0.278 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.467 -10.172 0.954 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.335 -9.742 -0.718 1.00 0.00 C ATOM 0 H VAL A 35 12.790 -10.940 0.619 1.00 0.00 H new ATOM 0 HA VAL A 35 11.092 -10.156 1.890 1.00 0.00 H new ATOM 0 HB VAL A 35 9.477 -11.671 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.718 -9.959 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.067 -10.896 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.721 -9.251 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.596 -9.519 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.598 -8.825 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.227 -10.162 -1.182 1.00 0.00 H new ATOM 561 N ASN A 36 10.757 -12.010 3.552 1.00 0.00 N ATOM 562 CA ASN A 36 10.245 -12.918 4.604 1.00 0.00 C ATOM 563 C ASN A 36 8.965 -12.346 5.207 1.00 0.00 C ATOM 564 O ASN A 36 8.456 -12.852 6.187 1.00 0.00 O ATOM 565 CB ASN A 36 11.307 -13.018 5.710 1.00 0.00 C ATOM 566 CG ASN A 36 12.512 -13.800 5.183 1.00 0.00 C ATOM 567 OD1 ASN A 36 13.242 -13.275 4.238 1.00 0.00 O flip ATOM 568 ND2 ASN A 36 12.800 -14.894 5.627 1.00 0.00 N flip ATOM 0 H ASN A 36 11.532 -11.409 3.832 1.00 0.00 H new ATOM 0 HA ASN A 36 10.035 -13.898 4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.615 -12.021 6.026 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.891 -13.515 6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.233 -15.310 6.366 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.609 -15.396 5.261 1.00 0.00 H new ATOM 575 N PHE A 37 8.467 -11.294 4.596 1.00 0.00 N ATOM 576 CA PHE A 37 7.220 -10.661 5.105 1.00 0.00 C ATOM 577 C PHE A 37 7.379 -10.323 6.591 1.00 0.00 C ATOM 578 O PHE A 37 6.416 -10.146 7.317 1.00 0.00 O ATOM 579 CB PHE A 37 6.026 -11.650 4.864 1.00 0.00 C ATOM 580 CG PHE A 37 5.283 -11.229 3.582 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.708 -9.971 3.495 1.00 0.00 C ATOM 582 CD2 PHE A 37 5.224 -12.070 2.484 1.00 0.00 C ATOM 583 CE1 PHE A 37 4.092 -9.561 2.333 1.00 0.00 C ATOM 584 CE2 PHE A 37 4.604 -11.657 1.320 1.00 0.00 C ATOM 585 CZ PHE A 37 4.039 -10.402 1.248 1.00 0.00 C ATOM 0 H PHE A 37 8.873 -10.853 3.771 1.00 0.00 H new ATOM 0 HA PHE A 37 7.018 -9.730 4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.395 -12.671 4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.346 -11.636 5.716 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.743 -9.306 4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.665 -13.054 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.650 -8.577 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.562 -12.318 0.467 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.554 -10.080 0.338 1.00 0.00 H new ATOM 595 N SER A 38 8.620 -10.224 6.989 1.00 0.00 N ATOM 596 CA SER A 38 8.958 -9.900 8.399 1.00 0.00 C ATOM 597 C SER A 38 10.236 -9.091 8.406 1.00 0.00 C ATOM 598 O SER A 38 10.845 -8.878 9.436 1.00 0.00 O ATOM 599 CB SER A 38 9.189 -11.211 9.166 1.00 0.00 C ATOM 600 OG SER A 38 7.930 -11.865 9.122 1.00 0.00 O ATOM 0 H SER A 38 9.427 -10.358 6.380 1.00 0.00 H new ATOM 0 HA SER A 38 8.151 -9.336 8.867 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.968 -11.814 8.699 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.504 -11.022 10.192 1.00 0.00 H new ATOM 0 HG SER A 38 7.854 -12.373 8.287 1.00 0.00 H new ATOM 606 N GLU A 39 10.610 -8.658 7.223 1.00 0.00 N ATOM 607 CA GLU A 39 11.845 -7.850 7.064 1.00 0.00 C ATOM 608 C GLU A 39 11.724 -6.943 5.844 1.00 0.00 C ATOM 609 O GLU A 39 12.501 -6.037 5.665 1.00 0.00 O ATOM 610 CB GLU A 39 13.020 -8.815 6.826 1.00 0.00 C ATOM 611 CG GLU A 39 13.291 -9.615 8.103 1.00 0.00 C ATOM 612 CD GLU A 39 14.643 -10.328 7.984 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.732 -11.177 7.112 1.00 0.00 O ATOM 614 OE2 GLU A 39 15.507 -9.984 8.772 1.00 0.00 O ATOM 0 H GLU A 39 10.101 -8.836 6.357 1.00 0.00 H new ATOM 0 HA GLU A 39 12.001 -7.243 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.788 -9.491 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.911 -8.256 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.293 -8.951 8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.497 -10.344 8.263 1.00 0.00 H new ATOM 621 N PHE A 40 10.731 -7.215 5.033 1.00 0.00 N ATOM 622 CA PHE A 40 10.510 -6.401 3.806 1.00 0.00 C ATOM 623 C PHE A 40 9.742 -5.123 4.105 1.00 0.00 C ATOM 624 O PHE A 40 10.182 -4.052 3.761 1.00 0.00 O ATOM 625 CB PHE A 40 9.707 -7.265 2.832 1.00 0.00 C ATOM 626 CG PHE A 40 9.339 -6.470 1.574 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.319 -5.858 0.810 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.020 -6.384 1.160 1.00 0.00 C ATOM 629 CE1 PHE A 40 9.985 -5.179 -0.332 1.00 0.00 C ATOM 630 CE2 PHE A 40 7.691 -5.706 0.017 1.00 0.00 C ATOM 631 CZ PHE A 40 8.671 -5.102 -0.733 1.00 0.00 C ATOM 0 H PHE A 40 10.062 -7.972 5.173 1.00 0.00 H new ATOM 0 HA PHE A 40 11.472 -6.105 3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.288 -8.144 2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.800 -7.623 3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.353 -5.916 1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.244 -6.856 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.756 -4.702 -0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.659 -5.646 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.411 -4.568 -1.635 1.00 0.00 H new ATOM 641 N SER A 41 8.582 -5.263 4.684 1.00 0.00 N ATOM 642 CA SER A 41 7.776 -4.057 5.014 1.00 0.00 C ATOM 643 C SER A 41 8.620 -3.056 5.787 1.00 0.00 C ATOM 644 O SER A 41 8.320 -1.891 5.823 1.00 0.00 O ATOM 645 CB SER A 41 6.592 -4.491 5.891 1.00 0.00 C ATOM 646 OG SER A 41 5.979 -5.539 5.152 1.00 0.00 O ATOM 0 H SER A 41 8.160 -6.155 4.941 1.00 0.00 H new ATOM 0 HA SER A 41 7.426 -3.590 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.926 -4.836 6.870 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.900 -3.667 6.063 1.00 0.00 H new ATOM 0 HG SER A 41 5.205 -5.879 5.647 1.00 0.00 H new ATOM 652 N LYS A 42 9.657 -3.531 6.404 1.00 0.00 N ATOM 653 CA LYS A 42 10.510 -2.608 7.163 1.00 0.00 C ATOM 654 C LYS A 42 11.173 -1.638 6.198 1.00 0.00 C ATOM 655 O LYS A 42 11.350 -0.473 6.500 1.00 0.00 O ATOM 656 CB LYS A 42 11.591 -3.422 7.901 1.00 0.00 C ATOM 657 CG LYS A 42 10.950 -4.674 8.521 1.00 0.00 C ATOM 658 CD LYS A 42 9.726 -4.266 9.354 1.00 0.00 C ATOM 659 CE LYS A 42 9.310 -5.435 10.251 1.00 0.00 C ATOM 660 NZ LYS A 42 7.940 -5.212 10.791 1.00 0.00 N ATOM 0 H LYS A 42 9.944 -4.510 6.412 1.00 0.00 H new ATOM 0 HA LYS A 42 9.913 -2.051 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.382 -3.710 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.053 -2.813 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.653 -5.370 7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.674 -5.193 9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.961 -3.392 9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.902 -3.986 8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.337 -6.365 9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.019 -5.542 11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.671 -6.013 11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.925 -4.335 11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.265 -5.132 10.004 1.00 0.00 H new ATOM 674 N LYS A 43 11.524 -2.150 5.042 1.00 0.00 N ATOM 675 CA LYS A 43 12.175 -1.302 4.024 1.00 0.00 C ATOM 676 C LYS A 43 11.132 -0.466 3.281 1.00 0.00 C ATOM 677 O LYS A 43 11.338 0.709 3.046 1.00 0.00 O ATOM 678 CB LYS A 43 12.907 -2.223 3.005 1.00 0.00 C ATOM 679 CG LYS A 43 14.319 -2.534 3.515 1.00 0.00 C ATOM 680 CD LYS A 43 14.231 -3.125 4.928 1.00 0.00 C ATOM 681 CE LYS A 43 15.552 -3.827 5.269 1.00 0.00 C ATOM 682 NZ LYS A 43 15.609 -4.163 6.720 1.00 0.00 N ATOM 0 H LYS A 43 11.382 -3.123 4.770 1.00 0.00 H new ATOM 0 HA LYS A 43 12.882 -0.631 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.347 -3.148 2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.960 -1.735 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.813 -3.237 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.922 -1.626 3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.028 -2.336 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.404 -3.833 4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.651 -4.736 4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.391 -3.182 5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.510 -4.637 6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.537 -3.291 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.820 -4.796 6.961 1.00 0.00 H new ATOM 696 N CYS A 44 10.022 -1.080 2.928 1.00 0.00 N ATOM 697 CA CYS A 44 8.993 -0.321 2.214 1.00 0.00 C ATOM 698 C CYS A 44 8.474 0.805 3.091 1.00 0.00 C ATOM 699 O CYS A 44 8.171 1.882 2.618 1.00 0.00 O ATOM 700 CB CYS A 44 7.866 -1.289 1.857 1.00 0.00 C ATOM 701 SG CYS A 44 8.354 -2.936 1.289 1.00 0.00 S ATOM 0 H CYS A 44 9.805 -2.060 3.109 1.00 0.00 H new ATOM 0 HA CYS A 44 9.403 0.126 1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.229 -1.407 2.734 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.256 -0.829 1.080 1.00 0.00 H new ATOM 0 HG CYS A 44 8.359 -2.963 -0.011 1.00 0.00 H new ATOM 707 N SER A 45 8.379 0.534 4.356 1.00 0.00 N ATOM 708 CA SER A 45 7.882 1.581 5.287 1.00 0.00 C ATOM 709 C SER A 45 8.802 2.784 5.216 1.00 0.00 C ATOM 710 O SER A 45 8.360 3.909 5.106 1.00 0.00 O ATOM 711 CB SER A 45 7.906 1.022 6.728 1.00 0.00 C ATOM 712 OG SER A 45 7.866 2.180 7.554 1.00 0.00 O ATOM 0 H SER A 45 8.621 -0.359 4.786 1.00 0.00 H new ATOM 0 HA SER A 45 6.868 1.870 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.053 0.369 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.805 0.433 6.912 1.00 0.00 H new ATOM 0 HG SER A 45 7.877 1.910 8.496 1.00 0.00 H new ATOM 718 N GLU A 46 10.076 2.516 5.288 1.00 0.00 N ATOM 719 CA GLU A 46 11.053 3.617 5.226 1.00 0.00 C ATOM 720 C GLU A 46 11.023 4.263 3.848 1.00 0.00 C ATOM 721 O GLU A 46 11.590 5.318 3.642 1.00 0.00 O ATOM 722 CB GLU A 46 12.455 3.024 5.480 1.00 0.00 C ATOM 723 CG GLU A 46 13.419 4.142 5.880 1.00 0.00 C ATOM 724 CD GLU A 46 14.751 3.527 6.310 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.470 3.114 5.415 1.00 0.00 O ATOM 726 OE2 GLU A 46 14.974 3.506 7.508 1.00 0.00 O ATOM 0 H GLU A 46 10.474 1.582 5.387 1.00 0.00 H new ATOM 0 HA GLU A 46 10.812 4.373 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.406 2.273 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.817 2.522 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.573 4.823 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.996 4.729 6.695 1.00 0.00 H new ATOM 733 N ARG A 47 10.340 3.595 2.927 1.00 0.00 N ATOM 734 CA ARG A 47 10.219 4.101 1.528 1.00 0.00 C ATOM 735 C ARG A 47 8.841 4.734 1.287 1.00 0.00 C ATOM 736 O ARG A 47 8.620 5.370 0.273 1.00 0.00 O ATOM 737 CB ARG A 47 10.389 2.885 0.582 1.00 0.00 C ATOM 738 CG ARG A 47 10.843 3.364 -0.797 1.00 0.00 C ATOM 739 CD ARG A 47 11.231 2.150 -1.641 1.00 0.00 C ATOM 740 NE ARG A 47 11.346 2.574 -3.060 1.00 0.00 N ATOM 741 CZ ARG A 47 11.492 1.674 -3.992 1.00 0.00 C ATOM 742 NH1 ARG A 47 11.538 0.412 -3.653 1.00 0.00 N ATOM 743 NH2 ARG A 47 11.573 2.064 -5.234 1.00 0.00 N ATOM 0 H ARG A 47 9.860 2.712 3.100 1.00 0.00 H new ATOM 0 HA ARG A 47 10.976 4.863 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.120 2.190 0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.447 2.343 0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.043 3.922 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.691 4.042 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.177 1.734 -1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.482 1.365 -1.541 1.00 0.00 H new ATOM 0 HE ARG A 47 11.311 3.564 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.460 0.144 -2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.652 -0.305 -4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.522 3.057 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.687 1.376 -5.978 1.00 0.00 H new ATOM 757 N TRP A 48 7.952 4.547 2.249 1.00 0.00 N ATOM 758 CA TRP A 48 6.559 5.108 2.150 1.00 0.00 C ATOM 759 C TRP A 48 6.391 6.349 3.039 1.00 0.00 C ATOM 760 O TRP A 48 6.062 7.415 2.562 1.00 0.00 O ATOM 761 CB TRP A 48 5.622 3.976 2.626 1.00 0.00 C ATOM 762 CG TRP A 48 4.290 4.513 3.157 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.043 4.701 4.434 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.213 4.697 2.436 1.00 0.00 C ATOM 765 NE1 TRP A 48 2.736 5.000 4.469 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.131 5.016 3.233 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.053 4.612 1.071 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.896 5.230 2.671 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.811 4.836 0.510 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.736 5.143 1.314 1.00 0.00 C ATOM 0 H TRP A 48 8.138 4.024 3.105 1.00 0.00 H new ATOM 0 HA TRP A 48 6.335 5.426 1.132 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.432 3.292 1.799 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.118 3.401 3.408 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.732 4.631 5.263 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.235 5.198 5.335 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.896 4.371 0.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.051 5.467 3.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.683 4.770 -0.560 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.235 5.315 0.873 1.00 0.00 H new ATOM 781 N LYS A 49 6.596 6.165 4.306 1.00 0.00 N ATOM 782 CA LYS A 49 6.459 7.319 5.271 1.00 0.00 C ATOM 783 C LYS A 49 7.252 8.545 4.793 1.00 0.00 C ATOM 784 O LYS A 49 7.067 9.641 5.286 1.00 0.00 O ATOM 785 CB LYS A 49 7.057 6.901 6.635 1.00 0.00 C ATOM 786 CG LYS A 49 6.265 5.728 7.235 1.00 0.00 C ATOM 787 CD LYS A 49 6.662 5.552 8.711 1.00 0.00 C ATOM 788 CE LYS A 49 5.694 4.579 9.386 1.00 0.00 C ATOM 789 NZ LYS A 49 6.013 4.457 10.835 1.00 0.00 N ATOM 0 H LYS A 49 6.853 5.273 4.730 1.00 0.00 H new ATOM 0 HA LYS A 49 5.401 7.571 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.101 6.615 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.039 7.748 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.195 5.917 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.470 4.813 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.682 5.175 8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.642 6.515 9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.669 4.928 9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.758 3.601 8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.349 3.793 11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.984 4.103 10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.929 5.389 11.289 1.00 0.00 H new ATOM 803 N THR A 50 8.110 8.318 3.840 1.00 0.00 N ATOM 804 CA THR A 50 8.955 9.414 3.281 1.00 0.00 C ATOM 805 C THR A 50 8.293 10.164 2.123 1.00 0.00 C ATOM 806 O THR A 50 8.552 11.335 1.919 1.00 0.00 O ATOM 807 CB THR A 50 10.223 8.738 2.755 1.00 0.00 C ATOM 808 OG1 THR A 50 10.737 9.574 1.729 1.00 0.00 O ATOM 809 CG2 THR A 50 9.847 7.431 2.050 1.00 0.00 C ATOM 0 H THR A 50 8.266 7.404 3.416 1.00 0.00 H new ATOM 0 HA THR A 50 9.138 10.152 4.062 1.00 0.00 H new ATOM 0 HB THR A 50 10.919 8.565 3.575 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.555 9.177 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.749 6.948 1.674 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.347 6.768 2.756 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.177 7.646 1.217 1.00 0.00 H new ATOM 817 N MET A 51 7.486 9.480 1.380 1.00 0.00 N ATOM 818 CA MET A 51 6.814 10.141 0.238 1.00 0.00 C ATOM 819 C MET A 51 5.925 11.297 0.685 1.00 0.00 C ATOM 820 O MET A 51 5.907 11.656 1.851 1.00 0.00 O ATOM 821 CB MET A 51 5.946 9.098 -0.491 1.00 0.00 C ATOM 822 CG MET A 51 6.827 7.931 -0.965 1.00 0.00 C ATOM 823 SD MET A 51 6.154 6.861 -2.261 1.00 0.00 S ATOM 824 CE MET A 51 4.570 6.507 -1.462 1.00 0.00 C ATOM 0 H MET A 51 7.261 8.494 1.511 1.00 0.00 H new ATOM 0 HA MET A 51 7.583 10.547 -0.419 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.166 8.730 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.446 9.558 -1.343 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.770 8.343 -1.323 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.059 7.309 -0.100 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.105 5.646 -1.942 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.735 6.289 -0.407 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.914 7.373 -1.555 1.00 0.00 H new ATOM 834 N SER A 52 5.198 11.856 -0.276 1.00 0.00 N ATOM 835 CA SER A 52 4.275 13.005 0.012 1.00 0.00 C ATOM 836 C SER A 52 2.831 12.567 -0.160 1.00 0.00 C ATOM 837 O SER A 52 2.557 11.621 -0.874 1.00 0.00 O ATOM 838 CB SER A 52 4.571 14.118 -1.010 1.00 0.00 C ATOM 839 OG SER A 52 5.915 14.490 -0.744 1.00 0.00 O ATOM 0 H SER A 52 5.211 11.557 -1.251 1.00 0.00 H new ATOM 0 HA SER A 52 4.427 13.354 1.034 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.452 13.761 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.893 14.962 -0.886 1.00 0.00 H new ATOM 0 HG SER A 52 6.186 15.202 -1.361 1.00 0.00 H new ATOM 845 N ALA A 53 1.936 13.248 0.518 1.00 0.00 N ATOM 846 CA ALA A 53 0.498 12.889 0.409 1.00 0.00 C ATOM 847 C ALA A 53 0.079 12.743 -1.044 1.00 0.00 C ATOM 848 O ALA A 53 -0.868 12.050 -1.351 1.00 0.00 O ATOM 849 CB ALA A 53 -0.332 13.997 1.045 1.00 0.00 C ATOM 0 H ALA A 53 2.144 14.031 1.137 1.00 0.00 H new ATOM 0 HA ALA A 53 0.338 11.938 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.390 13.746 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.056 14.102 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.145 14.936 0.525 1.00 0.00 H new ATOM 855 N LYS A 54 0.786 13.407 -1.917 1.00 0.00 N ATOM 856 CA LYS A 54 0.429 13.303 -3.345 1.00 0.00 C ATOM 857 C LYS A 54 0.525 11.850 -3.773 1.00 0.00 C ATOM 858 O LYS A 54 -0.412 11.288 -4.318 1.00 0.00 O ATOM 859 CB LYS A 54 1.430 14.132 -4.173 1.00 0.00 C ATOM 860 CG LYS A 54 1.522 15.552 -3.601 1.00 0.00 C ATOM 861 CD LYS A 54 2.615 16.325 -4.348 1.00 0.00 C ATOM 862 CE LYS A 54 2.945 17.611 -3.585 1.00 0.00 C ATOM 863 NZ LYS A 54 1.797 18.559 -3.638 1.00 0.00 N ATOM 0 H LYS A 54 1.582 14.006 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.584 13.673 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.411 13.658 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.112 14.169 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.564 16.062 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.750 15.514 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.509 15.709 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.280 16.564 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.181 17.375 -2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.831 18.079 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.056 19.445 -3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.557 18.759 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.975 18.136 -3.161 1.00 0.00 H new ATOM 877 N GLU A 55 1.660 11.257 -3.509 1.00 0.00 N ATOM 878 CA GLU A 55 1.835 9.846 -3.891 1.00 0.00 C ATOM 879 C GLU A 55 0.981 8.959 -3.006 1.00 0.00 C ATOM 880 O GLU A 55 0.248 8.114 -3.492 1.00 0.00 O ATOM 881 CB GLU A 55 3.309 9.469 -3.693 1.00 0.00 C ATOM 882 CG GLU A 55 4.191 10.502 -4.398 1.00 0.00 C ATOM 883 CD GLU A 55 3.833 10.542 -5.885 1.00 0.00 C ATOM 884 OE1 GLU A 55 4.384 9.719 -6.598 1.00 0.00 O ATOM 885 OE2 GLU A 55 3.025 11.391 -6.222 1.00 0.00 O ATOM 0 H GLU A 55 2.460 11.693 -3.050 1.00 0.00 H new ATOM 0 HA GLU A 55 1.537 9.709 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.548 9.434 -2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.500 8.474 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.047 11.486 -3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.243 10.245 -4.272 1.00 0.00 H new ATOM 892 N LYS A 56 1.059 9.179 -1.714 1.00 0.00 N ATOM 893 CA LYS A 56 0.253 8.347 -0.805 1.00 0.00 C ATOM 894 C LYS A 56 -1.219 8.653 -1.004 1.00 0.00 C ATOM 895 O LYS A 56 -2.078 8.047 -0.394 1.00 0.00 O ATOM 896 CB LYS A 56 0.642 8.661 0.643 1.00 0.00 C ATOM 897 CG LYS A 56 2.175 8.537 0.793 1.00 0.00 C ATOM 898 CD LYS A 56 2.578 8.504 2.321 1.00 0.00 C ATOM 899 CE LYS A 56 3.414 9.738 2.677 1.00 0.00 C ATOM 900 NZ LYS A 56 2.577 10.970 2.634 1.00 0.00 N ATOM 0 H LYS A 56 1.640 9.890 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 56 0.436 7.294 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.318 9.667 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.141 7.974 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.523 7.630 0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.664 9.377 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.681 8.473 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.145 7.598 2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.843 9.618 3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.247 9.833 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.193 11.807 2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.966 10.945 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.987 11.019 3.489 1.00 0.00 H new ATOM 914 N GLY A 57 -1.476 9.606 -1.864 1.00 0.00 N ATOM 915 CA GLY A 57 -2.886 9.996 -2.146 1.00 0.00 C ATOM 916 C GLY A 57 -3.501 9.012 -3.142 1.00 0.00 C ATOM 917 O GLY A 57 -4.624 8.579 -2.984 1.00 0.00 O ATOM 0 H GLY A 57 -0.769 10.129 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.464 10.003 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.920 11.008 -2.550 1.00 0.00 H new ATOM 921 N LYS A 58 -2.749 8.693 -4.156 1.00 0.00 N ATOM 922 CA LYS A 58 -3.260 7.744 -5.170 1.00 0.00 C ATOM 923 C LYS A 58 -3.333 6.334 -4.554 1.00 0.00 C ATOM 924 O LYS A 58 -4.114 5.494 -4.976 1.00 0.00 O ATOM 925 CB LYS A 58 -2.280 7.833 -6.410 1.00 0.00 C ATOM 926 CG LYS A 58 -1.885 6.445 -6.984 1.00 0.00 C ATOM 927 CD LYS A 58 -0.718 5.841 -6.160 1.00 0.00 C ATOM 928 CE LYS A 58 0.627 6.339 -6.721 1.00 0.00 C ATOM 929 NZ LYS A 58 0.965 5.623 -7.982 1.00 0.00 N ATOM 0 H LYS A 58 -1.808 9.048 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.270 7.984 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.753 8.422 -7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.377 8.365 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.744 5.774 -6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.590 6.545 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.814 6.127 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.758 4.752 -6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.575 7.412 -6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.415 6.182 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.968 5.776 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.789 4.605 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.375 5.987 -8.757 1.00 0.00 H new ATOM 943 N PHE A 59 -2.566 6.138 -3.514 1.00 0.00 N ATOM 944 CA PHE A 59 -2.556 4.810 -2.836 1.00 0.00 C ATOM 945 C PHE A 59 -3.703 4.774 -1.861 1.00 0.00 C ATOM 946 O PHE A 59 -4.221 3.729 -1.529 1.00 0.00 O ATOM 947 CB PHE A 59 -1.228 4.648 -2.050 1.00 0.00 C ATOM 948 CG PHE A 59 -0.114 4.173 -2.995 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.211 2.953 -3.629 1.00 0.00 C ATOM 950 CD2 PHE A 59 1.005 4.957 -3.222 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.787 2.527 -4.477 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.999 4.528 -4.066 1.00 0.00 C ATOM 953 CZ PHE A 59 1.893 3.314 -4.694 1.00 0.00 C ATOM 0 H PHE A 59 -1.947 6.839 -3.106 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.648 4.010 -3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.948 5.597 -1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.360 3.930 -1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.075 2.327 -3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.096 5.914 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.700 1.572 -4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.867 5.148 -4.236 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.676 2.977 -5.357 1.00 0.00 H new ATOM 963 N GLU A 60 -4.072 5.943 -1.417 1.00 0.00 N ATOM 964 CA GLU A 60 -5.181 6.042 -0.464 1.00 0.00 C ATOM 965 C GLU A 60 -6.455 5.775 -1.214 1.00 0.00 C ATOM 966 O GLU A 60 -7.443 5.358 -0.654 1.00 0.00 O ATOM 967 CB GLU A 60 -5.183 7.494 0.108 1.00 0.00 C ATOM 968 CG GLU A 60 -4.578 7.511 1.526 1.00 0.00 C ATOM 969 CD GLU A 60 -5.491 6.754 2.505 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.539 6.323 2.054 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.084 6.656 3.652 1.00 0.00 O ATOM 0 H GLU A 60 -3.644 6.830 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.084 5.327 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.611 8.151 -0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.202 7.880 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.589 7.053 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.448 8.540 1.861 1.00 0.00 H new ATOM 978 N ASP A 61 -6.395 6.020 -2.487 1.00 0.00 N ATOM 979 CA ASP A 61 -7.581 5.793 -3.324 1.00 0.00 C ATOM 980 C ASP A 61 -7.781 4.308 -3.529 1.00 0.00 C ATOM 981 O ASP A 61 -8.894 3.827 -3.566 1.00 0.00 O ATOM 982 CB ASP A 61 -7.344 6.473 -4.676 1.00 0.00 C ATOM 983 CG ASP A 61 -8.670 6.591 -5.431 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.028 5.605 -6.051 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.249 7.660 -5.343 1.00 0.00 O ATOM 0 H ASP A 61 -5.572 6.368 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.469 6.204 -2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.910 7.462 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.629 5.897 -5.264 1.00 0.00 H new ATOM 990 N MET A 62 -6.696 3.597 -3.680 1.00 0.00 N ATOM 991 CA MET A 62 -6.822 2.150 -3.879 1.00 0.00 C ATOM 992 C MET A 62 -7.272 1.510 -2.592 1.00 0.00 C ATOM 993 O MET A 62 -8.206 0.736 -2.579 1.00 0.00 O ATOM 994 CB MET A 62 -5.457 1.575 -4.296 1.00 0.00 C ATOM 995 CG MET A 62 -5.093 2.079 -5.711 1.00 0.00 C ATOM 996 SD MET A 62 -3.836 1.157 -6.629 1.00 0.00 S ATOM 997 CE MET A 62 -2.462 1.465 -5.498 1.00 0.00 C ATOM 0 H MET A 62 -5.744 3.962 -3.672 1.00 0.00 H new ATOM 0 HA MET A 62 -7.554 1.945 -4.660 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.690 1.878 -3.583 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.491 0.486 -4.284 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.005 2.091 -6.309 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.756 3.112 -5.624 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.568 0.963 -5.867 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.276 2.537 -5.435 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.712 1.081 -4.509 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.603 1.834 -1.520 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.004 1.240 -0.234 1.00 0.00 C ATOM 1009 C ALA A 63 -8.453 1.608 0.055 1.00 0.00 C ATOM 1010 O ALA A 63 -9.162 0.879 0.717 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.095 1.803 0.877 1.00 0.00 C ATOM 0 H ALA A 63 -5.810 2.475 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.908 0.155 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.382 1.371 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.057 1.550 0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.203 2.887 0.921 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.870 2.744 -0.460 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.263 3.175 -0.228 1.00 0.00 C ATOM 1019 C LYS A 64 -11.197 2.357 -1.101 1.00 0.00 C ATOM 1020 O LYS A 64 -12.348 2.145 -0.769 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.394 4.667 -0.591 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.869 5.079 -0.530 1.00 0.00 C ATOM 1023 CD LYS A 64 -11.963 6.609 -0.477 1.00 0.00 C ATOM 1024 CE LYS A 64 -13.418 7.033 -0.687 1.00 0.00 C ATOM 1025 NZ LYS A 64 -14.299 6.398 0.334 1.00 0.00 N ATOM 0 H LYS A 64 -8.302 3.377 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.526 3.026 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.807 5.273 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.996 4.846 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.401 4.700 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.345 4.643 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.601 6.974 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.329 7.051 -1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.500 8.118 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.746 6.748 -1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.209 6.901 0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.463 5.403 0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.841 6.447 1.266 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.678 1.901 -2.217 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.506 1.097 -3.122 1.00 0.00 C ATOM 1041 C ALA A 65 -11.680 -0.277 -2.544 1.00 0.00 C ATOM 1042 O ALA A 65 -12.749 -0.851 -2.595 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.798 0.993 -4.483 1.00 0.00 C ATOM 0 H ALA A 65 -9.718 2.059 -2.525 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.483 1.564 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.405 0.397 -5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.660 1.991 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.826 0.517 -4.352 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.622 -0.782 -2.001 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.688 -2.121 -1.405 1.00 0.00 C ATOM 1051 C ASP A 66 -11.490 -2.048 -0.126 1.00 0.00 C ATOM 1052 O ASP A 66 -12.190 -2.979 0.228 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.257 -2.584 -1.083 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.274 -4.060 -0.681 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.867 -4.334 0.349 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.690 -4.830 -1.425 1.00 0.00 O ATOM 0 H ASP A 66 -9.714 -0.321 -1.946 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.160 -2.821 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.613 -2.440 -1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.842 -1.981 -0.275 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.368 -0.934 0.557 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.114 -0.773 1.810 1.00 0.00 C ATOM 1063 C LYS A 67 -13.589 -0.970 1.530 1.00 0.00 C ATOM 1064 O LYS A 67 -14.328 -1.446 2.369 1.00 0.00 O ATOM 1065 CB LYS A 67 -11.879 0.653 2.348 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.725 0.866 3.605 1.00 0.00 C ATOM 1067 CD LYS A 67 -12.343 2.202 4.244 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.083 2.351 5.574 1.00 0.00 C ATOM 1069 NZ LYS A 67 -14.472 1.821 5.460 1.00 0.00 N ATOM 0 H LYS A 67 -10.783 -0.142 0.289 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.780 -1.504 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.823 0.798 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.144 1.389 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.785 0.860 3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.562 0.051 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.266 2.247 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.600 3.025 3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.546 1.816 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.111 3.401 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.059 2.219 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.871 2.090 4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.456 0.784 5.541 1.00 0.00 H new ATOM 1083 N ALA A 68 -13.999 -0.589 0.339 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.418 -0.746 -0.021 1.00 0.00 C ATOM 1085 C ALA A 68 -15.728 -2.202 -0.312 1.00 0.00 C ATOM 1086 O ALA A 68 -16.722 -2.734 0.132 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.699 0.088 -1.283 1.00 0.00 C ATOM 0 H ALA A 68 -13.405 -0.181 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.041 -0.410 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.747 -0.018 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.481 1.137 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.068 -0.264 -2.099 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.865 -2.819 -1.054 1.00 0.00 N ATOM 1094 CA ARG A 69 -15.084 -4.247 -1.393 1.00 0.00 C ATOM 1095 C ARG A 69 -15.048 -5.100 -0.133 1.00 0.00 C ATOM 1096 O ARG A 69 -15.495 -6.232 -0.133 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.949 -4.712 -2.327 1.00 0.00 C ATOM 1098 CG ARG A 69 -14.024 -3.945 -3.659 1.00 0.00 C ATOM 1099 CD ARG A 69 -15.362 -4.246 -4.369 1.00 0.00 C ATOM 1100 NE ARG A 69 -16.352 -3.210 -3.974 1.00 0.00 N ATOM 1101 CZ ARG A 69 -17.575 -3.284 -4.431 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -17.894 -4.272 -5.221 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -18.432 -2.357 -4.096 1.00 0.00 N ATOM 0 H ARG A 69 -14.019 -2.401 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 69 -16.056 -4.354 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.982 -4.542 -1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.031 -5.784 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.933 -2.874 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.190 -4.231 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.225 -4.245 -5.450 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.722 -5.237 -4.094 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.080 -2.448 -3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -17.194 -4.970 -5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -18.843 -4.346 -5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.143 -1.591 -3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.390 -2.399 -4.443 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.517 -4.525 0.923 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.418 -5.257 2.220 1.00 0.00 C ATOM 1119 C TYR A 70 -15.672 -5.064 3.081 1.00 0.00 C ATOM 1120 O TYR A 70 -16.288 -6.025 3.490 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.183 -4.691 2.970 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.229 -5.057 4.464 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -13.890 -4.244 5.366 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.584 -6.186 4.931 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -13.902 -4.553 6.711 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.597 -6.493 6.277 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.256 -5.679 7.175 1.00 0.00 C ATOM 1128 OH TYR A 70 -13.261 -5.981 8.522 1.00 0.00 O ATOM 0 H TYR A 70 -14.147 -3.575 0.938 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.322 -6.326 2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.270 -5.085 2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.151 -3.607 2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -14.401 -3.360 5.015 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.066 -6.833 4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.421 -3.908 7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.087 -7.377 6.630 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.759 -6.809 8.673 1.00 0.00 H new