USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 490 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 23 SER OG : rot 87:sc= 1.05 USER MOD Set 1.2: A 45 CYS SG : rot 142:sc= 0.118 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -4.75 K(o=-10,f=-19!) USER MOD Set 2.2: A 31 HIS : no HD1:sc= -5.53! C(o=-10!,f=-11!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.643 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00186 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.37) USER MOD Single : A 22 THR OG1 : rot 83:sc= 0.249 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00798) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -109:sc=-0.000383 (180deg=-0.146) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.12) USER MOD Single : A 42 SER OG : rot 170:sc= -1.28 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0134) USER MOD Single : A 46 SER OG : rot 180:sc= -0.182 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -126:sc= -0.0305 USER MOD Single : A 52 MET CE :methyl -128:sc= -2.8! (180deg=-5.55!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.147) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -105:sc= 1.17 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0778) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -14.134 11.276 -3.670 1.00 0.00 N ATOM 164 CA LYS A 12 -13.343 10.041 -3.950 1.00 0.00 C ATOM 165 C LYS A 12 -14.248 8.807 -3.886 1.00 0.00 C ATOM 166 O LYS A 12 -15.440 8.914 -3.671 1.00 0.00 O ATOM 167 CB LYS A 12 -12.286 9.988 -2.846 1.00 0.00 C ATOM 168 CG LYS A 12 -11.291 11.135 -3.036 1.00 0.00 C ATOM 169 CD LYS A 12 -10.500 11.344 -1.744 1.00 0.00 C ATOM 170 CE LYS A 12 -9.918 12.760 -1.725 1.00 0.00 C ATOM 171 NZ LYS A 12 -9.044 12.801 -0.519 1.00 0.00 N ATOM 0 HA LYS A 12 -12.894 10.055 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.762 10.064 -1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.764 9.031 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.612 10.909 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.821 12.050 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.148 11.194 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.698 10.609 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.349 12.965 -2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.707 13.510 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.608 13.742 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.614 12.609 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.299 12.081 -0.606 1.00 0.00 H new ATOM 185 N MET A 13 -13.686 7.639 -4.070 1.00 0.00 N ATOM 186 CA MET A 13 -14.505 6.392 -4.022 1.00 0.00 C ATOM 187 C MET A 13 -13.864 5.377 -3.071 1.00 0.00 C ATOM 188 O MET A 13 -12.956 5.698 -2.328 1.00 0.00 O ATOM 189 CB MET A 13 -14.502 5.861 -5.456 1.00 0.00 C ATOM 190 CG MET A 13 -15.674 6.468 -6.228 1.00 0.00 C ATOM 191 SD MET A 13 -15.198 8.092 -6.868 1.00 0.00 S ATOM 192 CE MET A 13 -16.847 8.836 -6.852 1.00 0.00 C ATOM 0 H MET A 13 -12.693 7.496 -4.252 1.00 0.00 H new ATOM 0 HA MET A 13 -15.516 6.574 -3.658 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.561 6.112 -5.946 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.579 4.774 -5.452 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.961 5.812 -7.049 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.543 6.562 -5.576 1.00 0.00 H new ATOM 0 HE1 MET A 13 -16.787 9.862 -7.216 1.00 0.00 H new ATOM 0 HE2 MET A 13 -17.512 8.261 -7.496 1.00 0.00 H new ATOM 0 HE3 MET A 13 -17.237 8.835 -5.834 1.00 0.00 H new ATOM 202 N SER A 14 -14.334 4.156 -3.091 1.00 0.00 N ATOM 203 CA SER A 14 -13.759 3.111 -2.192 1.00 0.00 C ATOM 204 C SER A 14 -14.021 1.716 -2.765 1.00 0.00 C ATOM 205 O SER A 14 -14.607 1.571 -3.822 1.00 0.00 O ATOM 206 CB SER A 14 -14.490 3.291 -0.861 1.00 0.00 C ATOM 207 OG SER A 14 -14.248 2.159 -0.036 1.00 0.00 O ATOM 0 H SER A 14 -15.093 3.837 -3.693 1.00 0.00 H new ATOM 0 HA SER A 14 -12.679 3.209 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.146 4.198 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.560 3.408 -1.033 1.00 0.00 H new ATOM 0 HG SER A 14 -14.714 2.272 0.819 1.00 0.00 H new ATOM 213 N SER A 15 -13.591 0.692 -2.074 1.00 0.00 N ATOM 214 CA SER A 15 -13.810 -0.701 -2.571 1.00 0.00 C ATOM 215 C SER A 15 -15.262 -1.124 -2.330 1.00 0.00 C ATOM 216 O SER A 15 -15.810 -1.928 -3.061 1.00 0.00 O ATOM 217 CB SER A 15 -12.856 -1.573 -1.755 1.00 0.00 C ATOM 218 OG SER A 15 -13.304 -1.624 -0.407 1.00 0.00 O ATOM 0 H SER A 15 -13.096 0.760 -1.185 1.00 0.00 H new ATOM 0 HA SER A 15 -13.624 -0.790 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.814 -2.578 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.845 -1.167 -1.799 1.00 0.00 H new ATOM 0 HG SER A 15 -12.695 -2.184 0.119 1.00 0.00 H new ATOM 224 N TYR A 16 -15.886 -0.583 -1.314 1.00 0.00 N ATOM 225 CA TYR A 16 -17.305 -0.948 -1.020 1.00 0.00 C ATOM 226 C TYR A 16 -18.246 -0.233 -1.994 1.00 0.00 C ATOM 227 O TYR A 16 -19.314 -0.722 -2.308 1.00 0.00 O ATOM 228 CB TYR A 16 -17.552 -0.469 0.412 1.00 0.00 C ATOM 229 CG TYR A 16 -18.813 -1.106 0.946 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.064 -0.597 0.577 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.730 -2.206 1.809 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.233 -1.189 1.072 1.00 0.00 C ATOM 233 CE2 TYR A 16 -19.899 -2.796 2.303 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.151 -2.288 1.935 1.00 0.00 C ATOM 235 OH TYR A 16 -22.303 -2.869 2.422 1.00 0.00 O ATOM 0 H TYR A 16 -15.473 0.096 -0.675 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.486 -2.017 -1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.704 -0.730 1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.644 0.617 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.128 0.251 -0.089 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.765 -2.599 2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.198 -0.797 0.788 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -19.835 -3.644 2.969 1.00 0.00 H new ATOM 0 HH TYR A 16 -22.069 -3.620 3.006 1.00 0.00 H new ATOM 245 N ALA A 17 -17.851 0.921 -2.474 1.00 0.00 N ATOM 246 CA ALA A 17 -18.717 1.675 -3.430 1.00 0.00 C ATOM 247 C ALA A 17 -18.585 1.086 -4.837 1.00 0.00 C ATOM 248 O ALA A 17 -19.514 1.120 -5.621 1.00 0.00 O ATOM 249 CB ALA A 17 -18.191 3.111 -3.397 1.00 0.00 C ATOM 0 H ALA A 17 -16.966 1.373 -2.244 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.772 1.623 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.778 3.729 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.273 3.505 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.146 3.123 -3.707 1.00 0.00 H new ATOM 255 N PHE A 18 -17.437 0.545 -5.157 1.00 0.00 N ATOM 256 CA PHE A 18 -17.235 -0.052 -6.513 1.00 0.00 C ATOM 257 C PHE A 18 -17.984 -1.384 -6.615 1.00 0.00 C ATOM 258 O PHE A 18 -18.417 -1.780 -7.681 1.00 0.00 O ATOM 259 CB PHE A 18 -15.725 -0.274 -6.636 1.00 0.00 C ATOM 260 CG PHE A 18 -15.111 0.836 -7.456 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.103 2.146 -6.965 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.550 0.554 -8.707 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.533 3.176 -7.724 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.980 1.582 -9.467 1.00 0.00 C ATOM 265 CZ PHE A 18 -13.971 2.893 -8.976 1.00 0.00 C ATOM 0 H PHE A 18 -16.629 0.491 -4.537 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.613 0.591 -7.307 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.270 -0.302 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.527 -1.238 -7.105 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -15.537 2.363 -6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.557 -0.457 -9.086 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.527 4.187 -7.345 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.547 1.364 -10.432 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.531 3.686 -9.562 1.00 0.00 H new ATOM 275 N PHE A 19 -18.138 -2.072 -5.513 1.00 0.00 N ATOM 276 CA PHE A 19 -18.861 -3.382 -5.538 1.00 0.00 C ATOM 277 C PHE A 19 -20.308 -3.175 -5.991 1.00 0.00 C ATOM 278 O PHE A 19 -20.761 -3.785 -6.941 1.00 0.00 O ATOM 279 CB PHE A 19 -18.818 -3.895 -4.097 1.00 0.00 C ATOM 280 CG PHE A 19 -19.177 -5.361 -4.075 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.330 -6.297 -4.680 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.356 -5.783 -3.452 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.663 -7.656 -4.662 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.689 -7.142 -3.433 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.842 -8.080 -4.038 1.00 0.00 C ATOM 0 H PHE A 19 -17.795 -1.785 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.406 -4.089 -6.232 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.824 -3.747 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.514 -3.330 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.420 -5.970 -5.161 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.009 -5.060 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.010 -8.378 -5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.599 -7.468 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.099 -9.129 -4.023 1.00 0.00 H new ATOM 295 N VAL A 20 -21.032 -2.313 -5.322 1.00 0.00 N ATOM 296 CA VAL A 20 -22.454 -2.056 -5.715 1.00 0.00 C ATOM 297 C VAL A 20 -22.502 -1.492 -7.141 1.00 0.00 C ATOM 298 O VAL A 20 -23.456 -1.699 -7.866 1.00 0.00 O ATOM 299 CB VAL A 20 -22.975 -1.031 -4.699 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.419 -0.642 -5.037 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.933 -1.643 -3.297 1.00 0.00 C ATOM 0 H VAL A 20 -20.701 -1.776 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.061 -2.962 -5.710 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.347 -0.141 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.779 0.086 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.454 -0.206 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.051 -1.529 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.302 -0.918 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.560 -2.534 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.907 -1.914 -3.049 1.00 0.00 H new ATOM 311 N GLN A 21 -21.474 -0.787 -7.544 1.00 0.00 N ATOM 312 CA GLN A 21 -21.449 -0.213 -8.925 1.00 0.00 C ATOM 313 C GLN A 21 -21.374 -1.343 -9.953 1.00 0.00 C ATOM 314 O GLN A 21 -22.155 -1.398 -10.885 1.00 0.00 O ATOM 315 CB GLN A 21 -20.188 0.651 -8.983 1.00 0.00 C ATOM 316 CG GLN A 21 -20.374 1.759 -10.021 1.00 0.00 C ATOM 317 CD GLN A 21 -20.105 1.200 -11.419 1.00 0.00 C ATOM 318 OE1 GLN A 21 -18.974 0.941 -11.776 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.106 1.002 -12.233 1.00 0.00 N ATOM 0 H GLN A 21 -20.651 -0.584 -6.976 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.343 0.369 -9.148 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -19.987 1.086 -8.004 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.326 0.037 -9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.387 2.157 -9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -19.695 2.586 -9.812 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -22.057 1.219 -11.934 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -20.937 0.630 -13.168 1.00 0.00 H new ATOM 328 N THR A 22 -20.444 -2.248 -9.784 1.00 0.00 N ATOM 329 CA THR A 22 -20.315 -3.386 -10.743 1.00 0.00 C ATOM 330 C THR A 22 -21.503 -4.335 -10.582 1.00 0.00 C ATOM 331 O THR A 22 -21.965 -4.934 -11.534 1.00 0.00 O ATOM 332 CB THR A 22 -19.009 -4.090 -10.364 1.00 0.00 C ATOM 333 OG1 THR A 22 -17.943 -3.150 -10.392 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.726 -5.215 -11.359 1.00 0.00 C ATOM 0 H THR A 22 -19.767 -2.248 -9.021 1.00 0.00 H new ATOM 0 HA THR A 22 -20.304 -3.054 -11.781 1.00 0.00 H new ATOM 0 HB THR A 22 -19.099 -4.510 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 22 -17.917 -2.659 -9.544 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.796 -5.715 -11.088 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.545 -5.934 -11.337 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.635 -4.799 -12.362 1.00 0.00 H new ATOM 342 N SER A 23 -22.003 -4.466 -9.379 1.00 0.00 N ATOM 343 CA SER A 23 -23.171 -5.366 -9.143 1.00 0.00 C ATOM 344 C SER A 23 -24.450 -4.699 -9.656 1.00 0.00 C ATOM 345 O SER A 23 -25.381 -5.362 -10.073 1.00 0.00 O ATOM 346 CB SER A 23 -23.230 -5.558 -7.628 1.00 0.00 C ATOM 347 OG SER A 23 -22.039 -6.197 -7.188 1.00 0.00 O ATOM 0 H SER A 23 -21.652 -3.987 -8.550 1.00 0.00 H new ATOM 0 HA SER A 23 -23.075 -6.319 -9.663 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.344 -4.594 -7.132 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.099 -6.159 -7.360 1.00 0.00 H new ATOM 0 HG SER A 23 -21.351 -5.521 -7.011 1.00 0.00 H new ATOM 353 N ARG A 24 -24.495 -3.389 -9.634 1.00 0.00 N ATOM 354 CA ARG A 24 -25.708 -2.669 -10.129 1.00 0.00 C ATOM 355 C ARG A 24 -25.854 -2.876 -11.637 1.00 0.00 C ATOM 356 O ARG A 24 -26.923 -3.190 -12.128 1.00 0.00 O ATOM 357 CB ARG A 24 -25.464 -1.192 -9.810 1.00 0.00 C ATOM 358 CG ARG A 24 -26.082 -0.854 -8.451 1.00 0.00 C ATOM 359 CD ARG A 24 -27.586 -0.626 -8.618 1.00 0.00 C ATOM 360 NE ARG A 24 -27.699 0.693 -9.300 1.00 0.00 N ATOM 361 CZ ARG A 24 -28.759 1.432 -9.118 1.00 0.00 C ATOM 362 NH1 ARG A 24 -29.107 1.789 -7.912 1.00 0.00 N ATOM 363 NH2 ARG A 24 -29.471 1.815 -10.143 1.00 0.00 N ATOM 0 H ARG A 24 -23.744 -2.788 -9.295 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.623 -3.033 -9.662 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -24.394 -0.984 -9.797 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.901 -0.564 -10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -25.902 -1.665 -7.746 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -25.612 0.038 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -28.042 -1.418 -9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.094 -0.617 -7.654 1.00 0.00 H new ATOM 0 HE ARG A 24 -26.948 1.019 -9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.550 1.490 -7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -29.936 2.367 -7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -29.199 1.537 -11.086 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -30.300 2.393 -10.001 1.00 0.00 H new ATOM 377 N GLU A 25 -24.782 -2.716 -12.373 1.00 0.00 N ATOM 378 CA GLU A 25 -24.848 -2.918 -13.854 1.00 0.00 C ATOM 379 C GLU A 25 -25.264 -4.359 -14.154 1.00 0.00 C ATOM 380 O GLU A 25 -25.938 -4.634 -15.129 1.00 0.00 O ATOM 381 CB GLU A 25 -23.430 -2.650 -14.366 1.00 0.00 C ATOM 382 CG GLU A 25 -23.265 -1.157 -14.654 1.00 0.00 C ATOM 383 CD GLU A 25 -21.956 -0.924 -15.412 1.00 0.00 C ATOM 384 OE1 GLU A 25 -20.924 -1.345 -14.915 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.008 -0.329 -16.476 1.00 0.00 O ATOM 0 H GLU A 25 -23.864 -2.454 -12.013 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.574 -2.261 -14.332 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.698 -2.971 -13.625 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.243 -3.229 -15.271 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.108 -0.794 -15.242 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.262 -0.594 -13.721 1.00 0.00 H new ATOM 392 N GLU A 26 -24.879 -5.275 -13.303 1.00 0.00 N ATOM 393 CA GLU A 26 -25.259 -6.705 -13.505 1.00 0.00 C ATOM 394 C GLU A 26 -26.757 -6.904 -13.216 1.00 0.00 C ATOM 395 O GLU A 26 -27.327 -7.923 -13.556 1.00 0.00 O ATOM 396 CB GLU A 26 -24.401 -7.491 -12.507 1.00 0.00 C ATOM 397 CG GLU A 26 -24.699 -8.987 -12.633 1.00 0.00 C ATOM 398 CD GLU A 26 -25.844 -9.361 -11.689 1.00 0.00 C ATOM 399 OE1 GLU A 26 -25.747 -9.038 -10.515 1.00 0.00 O ATOM 400 OE2 GLU A 26 -26.797 -9.962 -12.154 1.00 0.00 O ATOM 0 H GLU A 26 -24.315 -5.093 -12.473 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.091 -7.037 -14.530 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.344 -7.304 -12.696 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.608 -7.154 -11.491 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.967 -9.230 -13.661 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -23.809 -9.568 -12.390 1.00 0.00 H new ATOM 407 N HIS A 27 -27.397 -5.935 -12.598 1.00 0.00 N ATOM 408 CA HIS A 27 -28.855 -6.064 -12.295 1.00 0.00 C ATOM 409 C HIS A 27 -29.683 -5.395 -13.404 1.00 0.00 C ATOM 410 O HIS A 27 -30.800 -4.970 -13.188 1.00 0.00 O ATOM 411 CB HIS A 27 -29.033 -5.347 -10.951 1.00 0.00 C ATOM 412 CG HIS A 27 -30.472 -5.395 -10.508 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.996 -6.473 -9.813 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.501 -4.491 -10.625 1.00 0.00 C ATOM 415 CE1 HIS A 27 -32.284 -6.194 -9.540 1.00 0.00 C ATOM 416 NE2 HIS A 27 -32.642 -4.999 -10.013 1.00 0.00 N ATOM 0 H HIS A 27 -26.969 -5.061 -12.292 1.00 0.00 H new ATOM 0 HA HIS A 27 -29.191 -7.100 -12.245 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.400 -5.814 -10.197 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.709 -4.310 -11.041 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.434 -3.532 -11.117 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -32.947 -6.857 -9.003 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -33.557 -4.553 -9.941 1.00 0.00 H new ATOM 424 N LYS A 28 -29.146 -5.314 -14.596 1.00 0.00 N ATOM 425 CA LYS A 28 -29.904 -4.688 -15.720 1.00 0.00 C ATOM 426 C LYS A 28 -30.269 -5.745 -16.769 1.00 0.00 C ATOM 427 O LYS A 28 -30.395 -5.446 -17.942 1.00 0.00 O ATOM 428 CB LYS A 28 -28.949 -3.651 -16.313 1.00 0.00 C ATOM 429 CG LYS A 28 -29.029 -2.359 -15.497 1.00 0.00 C ATOM 430 CD LYS A 28 -30.321 -1.616 -15.843 1.00 0.00 C ATOM 431 CE LYS A 28 -30.664 -0.635 -14.719 1.00 0.00 C ATOM 432 NZ LYS A 28 -29.765 0.532 -14.941 1.00 0.00 N ATOM 0 H LYS A 28 -28.216 -5.655 -14.838 1.00 0.00 H new ATOM 0 HA LYS A 28 -30.839 -4.238 -15.386 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -27.929 -4.035 -16.307 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -29.209 -3.454 -17.353 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -29.002 -2.587 -14.431 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -28.166 -1.728 -15.710 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -30.203 -1.080 -16.785 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -31.136 -2.327 -15.981 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -31.712 -0.339 -14.759 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -30.496 -1.082 -13.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -29.987 1.277 -14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -28.775 0.235 -14.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -29.904 0.899 -15.904 1.00 0.00 H new ATOM 446 N LYS A 29 -30.440 -6.978 -16.355 1.00 0.00 N ATOM 447 CA LYS A 29 -30.797 -8.059 -17.326 1.00 0.00 C ATOM 448 C LYS A 29 -32.120 -8.727 -16.917 1.00 0.00 C ATOM 449 O LYS A 29 -33.170 -8.392 -17.433 1.00 0.00 O ATOM 450 CB LYS A 29 -29.632 -9.051 -17.264 1.00 0.00 C ATOM 451 CG LYS A 29 -28.384 -8.414 -17.876 1.00 0.00 C ATOM 452 CD LYS A 29 -27.144 -9.198 -17.441 1.00 0.00 C ATOM 453 CE LYS A 29 -26.022 -8.988 -18.458 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.995 -10.012 -18.117 1.00 0.00 N ATOM 0 H LYS A 29 -30.348 -7.282 -15.386 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.944 -7.678 -18.337 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -29.438 -9.335 -16.230 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -29.889 -9.963 -17.803 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.461 -8.409 -18.963 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.300 -7.375 -17.558 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -26.820 -8.868 -16.454 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -27.382 -10.259 -17.360 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -26.385 -9.117 -19.478 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.612 -7.980 -18.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.192 -9.930 -18.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.663 -9.860 -17.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -25.412 -10.962 -18.197 1.00 0.00 H new ATOM 468 N LYS A 30 -32.084 -9.662 -15.994 1.00 0.00 N ATOM 469 CA LYS A 30 -33.346 -10.336 -15.555 1.00 0.00 C ATOM 470 C LYS A 30 -33.917 -9.618 -14.335 1.00 0.00 C ATOM 471 O LYS A 30 -34.239 -10.233 -13.334 1.00 0.00 O ATOM 472 CB LYS A 30 -32.951 -11.776 -15.196 1.00 0.00 C ATOM 473 CG LYS A 30 -31.875 -11.780 -14.101 1.00 0.00 C ATOM 474 CD LYS A 30 -30.612 -12.482 -14.608 1.00 0.00 C ATOM 475 CE LYS A 30 -30.801 -13.998 -14.524 1.00 0.00 C ATOM 476 NZ LYS A 30 -30.508 -14.344 -13.105 1.00 0.00 N ATOM 0 H LYS A 30 -31.236 -9.985 -15.528 1.00 0.00 H new ATOM 0 HA LYS A 30 -34.110 -10.318 -16.333 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -33.828 -12.326 -14.855 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -32.578 -12.289 -16.083 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -31.639 -10.757 -13.808 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -32.251 -12.287 -13.213 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -30.408 -12.187 -15.637 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -29.751 -12.179 -14.013 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -31.816 -14.285 -14.799 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -30.127 -14.518 -15.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -29.604 -14.855 -13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -30.447 -13.473 -12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -31.269 -14.946 -12.730 1.00 0.00 H new ATOM 490 N HIS A 31 -34.034 -8.319 -14.408 1.00 0.00 N ATOM 491 CA HIS A 31 -34.572 -7.547 -13.250 1.00 0.00 C ATOM 492 C HIS A 31 -35.463 -6.398 -13.756 1.00 0.00 C ATOM 493 O HIS A 31 -35.254 -5.256 -13.396 1.00 0.00 O ATOM 494 CB HIS A 31 -33.337 -6.993 -12.525 1.00 0.00 C ATOM 495 CG HIS A 31 -32.362 -8.104 -12.206 1.00 0.00 C ATOM 496 ND1 HIS A 31 -31.112 -8.179 -12.797 1.00 0.00 N ATOM 497 CD2 HIS A 31 -32.431 -9.172 -11.348 1.00 0.00 C ATOM 498 CE1 HIS A 31 -30.482 -9.251 -12.284 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.242 -9.893 -11.396 1.00 0.00 N ATOM 0 H HIS A 31 -33.780 -7.758 -15.221 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.183 -8.162 -12.590 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.850 -6.242 -13.147 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -33.642 -6.495 -11.605 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -33.281 -9.417 -10.728 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -29.482 -9.555 -12.558 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -31.003 -10.731 -10.866 1.00 0.00 H new ATOM 507 N PRO A 32 -36.434 -6.729 -14.584 1.00 0.00 N ATOM 508 CA PRO A 32 -37.340 -5.687 -15.130 1.00 0.00 C ATOM 509 C PRO A 32 -38.310 -5.199 -14.049 1.00 0.00 C ATOM 510 O PRO A 32 -38.476 -4.011 -13.845 1.00 0.00 O ATOM 511 CB PRO A 32 -38.093 -6.410 -16.244 1.00 0.00 C ATOM 512 CG PRO A 32 -38.046 -7.856 -15.872 1.00 0.00 C ATOM 513 CD PRO A 32 -36.780 -8.071 -15.084 1.00 0.00 C ATOM 0 HA PRO A 32 -36.808 -4.804 -15.484 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -39.121 -6.056 -16.319 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.625 -6.237 -17.213 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -38.919 -8.130 -15.280 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -38.056 -8.483 -16.763 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.935 -8.774 -14.265 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -35.986 -8.480 -15.709 1.00 0.00 H new ATOM 521 N ASP A 33 -38.948 -6.109 -13.359 1.00 0.00 N ATOM 522 CA ASP A 33 -39.911 -5.708 -12.289 1.00 0.00 C ATOM 523 C ASP A 33 -39.229 -5.754 -10.920 1.00 0.00 C ATOM 524 O ASP A 33 -39.837 -6.110 -9.927 1.00 0.00 O ATOM 525 CB ASP A 33 -41.038 -6.738 -12.365 1.00 0.00 C ATOM 526 CG ASP A 33 -41.916 -6.446 -13.584 1.00 0.00 C ATOM 527 OD1 ASP A 33 -42.594 -5.431 -13.573 1.00 0.00 O ATOM 528 OD2 ASP A 33 -41.893 -7.242 -14.509 1.00 0.00 O ATOM 0 H ASP A 33 -38.843 -7.115 -13.491 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.280 -4.691 -12.424 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.622 -7.743 -12.436 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -41.638 -6.704 -11.455 1.00 0.00 H new ATOM 533 N SER A 34 -37.973 -5.395 -10.862 1.00 0.00 N ATOM 534 CA SER A 34 -37.242 -5.412 -9.561 1.00 0.00 C ATOM 535 C SER A 34 -36.296 -4.212 -9.470 1.00 0.00 C ATOM 536 O SER A 34 -35.129 -4.305 -9.801 1.00 0.00 O ATOM 537 CB SER A 34 -36.449 -6.719 -9.571 1.00 0.00 C ATOM 538 OG SER A 34 -37.349 -7.814 -9.462 1.00 0.00 O ATOM 0 H SER A 34 -37.420 -5.090 -11.663 1.00 0.00 H new ATOM 0 HA SER A 34 -37.917 -5.350 -8.707 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.870 -6.799 -10.491 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.739 -6.733 -8.744 1.00 0.00 H new ATOM 0 HG SER A 34 -36.844 -8.654 -9.470 1.00 0.00 H new ATOM 544 N SER A 35 -36.794 -3.088 -9.023 1.00 0.00 N ATOM 545 CA SER A 35 -35.929 -1.874 -8.905 1.00 0.00 C ATOM 546 C SER A 35 -34.950 -2.038 -7.749 1.00 0.00 C ATOM 547 O SER A 35 -35.027 -2.982 -6.985 1.00 0.00 O ATOM 548 CB SER A 35 -36.888 -0.714 -8.640 1.00 0.00 C ATOM 549 OG SER A 35 -37.555 -0.371 -9.849 1.00 0.00 O ATOM 0 H SER A 35 -37.763 -2.957 -8.734 1.00 0.00 H new ATOM 0 HA SER A 35 -35.336 -1.705 -9.804 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.614 -0.994 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 35 -36.339 0.146 -8.257 1.00 0.00 H new ATOM 0 HG SER A 35 -38.172 0.372 -9.683 1.00 0.00 H new ATOM 555 N VAL A 36 -34.022 -1.128 -7.627 1.00 0.00 N ATOM 556 CA VAL A 36 -33.018 -1.224 -6.532 1.00 0.00 C ATOM 557 C VAL A 36 -32.621 0.174 -6.041 1.00 0.00 C ATOM 558 O VAL A 36 -31.895 0.893 -6.701 1.00 0.00 O ATOM 559 CB VAL A 36 -31.824 -1.956 -7.155 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.259 -3.352 -7.604 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.289 -1.176 -8.364 1.00 0.00 C ATOM 0 H VAL A 36 -33.917 -0.320 -8.241 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.403 -1.753 -5.660 1.00 0.00 H new ATOM 0 HB VAL A 36 -31.034 -2.037 -6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.410 -3.873 -8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.621 -3.915 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -33.056 -3.265 -8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.441 -1.709 -8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -32.076 -1.080 -9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -30.969 -0.184 -8.045 1.00 0.00 H new ATOM 571 N ASN A 37 -33.095 0.560 -4.883 1.00 0.00 N ATOM 572 CA ASN A 37 -32.752 1.912 -4.334 1.00 0.00 C ATOM 573 C ASN A 37 -31.510 1.799 -3.446 1.00 0.00 C ATOM 574 O ASN A 37 -31.505 2.252 -2.319 1.00 0.00 O ATOM 575 CB ASN A 37 -33.962 2.348 -3.489 1.00 0.00 C ATOM 576 CG ASN A 37 -35.266 2.169 -4.270 1.00 0.00 C ATOM 577 OD1 ASN A 37 -35.473 2.795 -5.291 1.00 0.00 O ATOM 578 ND2 ASN A 37 -36.160 1.329 -3.825 1.00 0.00 N ATOM 0 H ASN A 37 -33.706 -0.003 -4.291 1.00 0.00 H new ATOM 0 HA ASN A 37 -32.540 2.631 -5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.000 1.762 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -33.849 3.392 -3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -37.034 1.197 -4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -35.985 0.804 -2.968 1.00 0.00 H new ATOM 585 N PHE A 38 -30.468 1.177 -3.943 1.00 0.00 N ATOM 586 CA PHE A 38 -29.199 0.983 -3.152 1.00 0.00 C ATOM 587 C PHE A 38 -29.434 0.030 -1.976 1.00 0.00 C ATOM 588 O PHE A 38 -28.776 -0.974 -1.869 1.00 0.00 O ATOM 589 CB PHE A 38 -28.734 2.361 -2.646 1.00 0.00 C ATOM 590 CG PHE A 38 -28.654 3.330 -3.802 1.00 0.00 C ATOM 591 CD1 PHE A 38 -27.632 3.197 -4.749 1.00 0.00 C ATOM 592 CD2 PHE A 38 -29.598 4.357 -3.928 1.00 0.00 C ATOM 593 CE1 PHE A 38 -27.553 4.090 -5.822 1.00 0.00 C ATOM 594 CE2 PHE A 38 -29.518 5.250 -5.004 1.00 0.00 C ATOM 595 CZ PHE A 38 -28.494 5.116 -5.950 1.00 0.00 C ATOM 0 H PHE A 38 -30.438 0.785 -4.884 1.00 0.00 H new ATOM 0 HA PHE A 38 -28.431 0.538 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -29.428 2.735 -1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -27.760 2.272 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -26.905 2.405 -4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -30.386 4.460 -3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -26.764 3.987 -6.553 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -30.246 6.042 -5.104 1.00 0.00 H new ATOM 0 HZ PHE A 38 -28.431 5.806 -6.779 1.00 0.00 H new ATOM 605 N ALA A 39 -30.352 0.329 -1.090 1.00 0.00 N ATOM 606 CA ALA A 39 -30.599 -0.582 0.072 1.00 0.00 C ATOM 607 C ALA A 39 -31.156 -1.923 -0.400 1.00 0.00 C ATOM 608 O ALA A 39 -30.723 -2.968 0.048 1.00 0.00 O ATOM 609 CB ALA A 39 -31.621 0.145 0.948 1.00 0.00 C ATOM 0 H ALA A 39 -30.940 1.162 -1.120 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.679 -0.800 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -31.851 -0.465 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.209 1.101 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.533 0.318 0.376 1.00 0.00 H new ATOM 615 N GLU A 40 -32.102 -1.907 -1.302 1.00 0.00 N ATOM 616 CA GLU A 40 -32.673 -3.194 -1.803 1.00 0.00 C ATOM 617 C GLU A 40 -31.575 -4.051 -2.450 1.00 0.00 C ATOM 618 O GLU A 40 -31.740 -5.242 -2.631 1.00 0.00 O ATOM 619 CB GLU A 40 -33.724 -2.794 -2.842 1.00 0.00 C ATOM 620 CG GLU A 40 -34.984 -2.296 -2.129 1.00 0.00 C ATOM 621 CD GLU A 40 -36.133 -2.191 -3.133 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.309 -3.124 -3.899 1.00 0.00 O ATOM 623 OE2 GLU A 40 -36.817 -1.182 -3.117 1.00 0.00 O ATOM 0 H GLU A 40 -32.503 -1.064 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.105 -3.788 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.329 -2.014 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.966 -3.646 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -35.253 -2.979 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -34.796 -1.324 -1.673 1.00 0.00 H new ATOM 630 N PHE A 41 -30.459 -3.453 -2.804 1.00 0.00 N ATOM 631 CA PHE A 41 -29.361 -4.233 -3.443 1.00 0.00 C ATOM 632 C PHE A 41 -28.148 -4.324 -2.514 1.00 0.00 C ATOM 633 O PHE A 41 -27.591 -5.385 -2.303 1.00 0.00 O ATOM 634 CB PHE A 41 -29.023 -3.443 -4.708 1.00 0.00 C ATOM 635 CG PHE A 41 -28.165 -4.277 -5.629 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.574 -5.564 -5.999 1.00 0.00 C ATOM 637 CD2 PHE A 41 -26.965 -3.755 -6.122 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.779 -6.328 -6.861 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.170 -4.519 -6.982 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.578 -5.805 -7.352 1.00 0.00 C ATOM 0 H PHE A 41 -30.266 -2.460 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.651 -5.261 -3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -29.940 -3.151 -5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.499 -2.525 -4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.502 -5.967 -5.620 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.652 -2.761 -5.838 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.093 -7.321 -7.147 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.242 -4.117 -7.360 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.965 -6.395 -8.018 1.00 0.00 H new ATOM 650 N SER A 42 -27.747 -3.219 -1.953 1.00 0.00 N ATOM 651 CA SER A 42 -26.576 -3.201 -1.022 1.00 0.00 C ATOM 652 C SER A 42 -26.779 -4.218 0.109 1.00 0.00 C ATOM 653 O SER A 42 -25.830 -4.718 0.683 1.00 0.00 O ATOM 654 CB SER A 42 -26.542 -1.775 -0.466 1.00 0.00 C ATOM 655 OG SER A 42 -27.624 -1.596 0.436 1.00 0.00 O ATOM 0 H SER A 42 -28.186 -2.310 -2.100 1.00 0.00 H new ATOM 0 HA SER A 42 -25.644 -3.469 -1.521 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.595 -1.594 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.609 -1.053 -1.280 1.00 0.00 H new ATOM 0 HG SER A 42 -27.515 -0.747 0.913 1.00 0.00 H new ATOM 661 N LYS A 43 -28.013 -4.533 0.418 1.00 0.00 N ATOM 662 CA LYS A 43 -28.291 -5.527 1.497 1.00 0.00 C ATOM 663 C LYS A 43 -27.854 -6.921 1.037 1.00 0.00 C ATOM 664 O LYS A 43 -27.472 -7.756 1.836 1.00 0.00 O ATOM 665 CB LYS A 43 -29.809 -5.480 1.707 1.00 0.00 C ATOM 666 CG LYS A 43 -30.130 -4.692 2.979 1.00 0.00 C ATOM 667 CD LYS A 43 -31.567 -4.987 3.412 1.00 0.00 C ATOM 668 CE LYS A 43 -32.531 -4.091 2.629 1.00 0.00 C ATOM 669 NZ LYS A 43 -33.813 -4.152 3.385 1.00 0.00 N ATOM 0 H LYS A 43 -28.841 -4.143 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.752 -5.305 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.290 -5.013 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -30.207 -6.492 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.436 -4.965 3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -30.005 -3.624 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.803 -6.036 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.679 -4.812 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -32.158 -3.069 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -32.658 -4.447 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -34.525 -3.562 2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -34.148 -5.136 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -33.663 -3.801 4.352 1.00 0.00 H new ATOM 683 N LYS A 44 -27.908 -7.171 -0.247 1.00 0.00 N ATOM 684 CA LYS A 44 -27.497 -8.506 -0.774 1.00 0.00 C ATOM 685 C LYS A 44 -26.001 -8.506 -1.101 1.00 0.00 C ATOM 686 O LYS A 44 -25.288 -9.435 -0.772 1.00 0.00 O ATOM 687 CB LYS A 44 -28.325 -8.699 -2.046 1.00 0.00 C ATOM 688 CG LYS A 44 -28.511 -10.193 -2.313 1.00 0.00 C ATOM 689 CD LYS A 44 -27.281 -10.740 -3.040 1.00 0.00 C ATOM 690 CE LYS A 44 -27.634 -12.068 -3.713 1.00 0.00 C ATOM 691 NZ LYS A 44 -28.214 -11.688 -5.031 1.00 0.00 N ATOM 0 H LYS A 44 -28.220 -6.505 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.664 -9.306 -0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.295 -8.215 -1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.826 -8.227 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.657 -10.725 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.405 -10.357 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.937 -10.023 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.463 -10.884 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -26.751 -12.695 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.348 -12.636 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -28.807 -12.465 -5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -28.795 -10.832 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -27.446 -11.501 -5.707 1.00 0.00 H new ATOM 705 N CYS A 45 -25.524 -7.468 -1.745 1.00 0.00 N ATOM 706 CA CYS A 45 -24.071 -7.403 -2.093 1.00 0.00 C ATOM 707 C CYS A 45 -23.225 -7.416 -0.817 1.00 0.00 C ATOM 708 O CYS A 45 -22.104 -7.890 -0.810 1.00 0.00 O ATOM 709 CB CYS A 45 -23.889 -6.083 -2.850 1.00 0.00 C ATOM 710 SG CYS A 45 -24.593 -6.241 -4.511 1.00 0.00 S ATOM 0 H CYS A 45 -26.077 -6.665 -2.044 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.755 -8.255 -2.695 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.378 -5.272 -2.311 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.831 -5.831 -2.914 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.169 -5.125 -4.846 1.00 0.00 H new ATOM 716 N SER A 46 -23.759 -6.905 0.265 1.00 0.00 N ATOM 717 CA SER A 46 -22.993 -6.893 1.549 1.00 0.00 C ATOM 718 C SER A 46 -22.784 -8.326 2.045 1.00 0.00 C ATOM 719 O SER A 46 -21.768 -8.645 2.634 1.00 0.00 O ATOM 720 CB SER A 46 -23.861 -6.107 2.532 1.00 0.00 C ATOM 721 OG SER A 46 -25.144 -6.714 2.613 1.00 0.00 O ATOM 0 H SER A 46 -24.692 -6.496 0.314 1.00 0.00 H new ATOM 0 HA SER A 46 -22.007 -6.443 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.392 -6.089 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.956 -5.072 2.205 1.00 0.00 H new ATOM 0 HG SER A 46 -25.703 -6.214 3.243 1.00 0.00 H new ATOM 727 N GLU A 47 -23.737 -9.188 1.803 1.00 0.00 N ATOM 728 CA GLU A 47 -23.601 -10.608 2.251 1.00 0.00 C ATOM 729 C GLU A 47 -22.472 -11.291 1.477 1.00 0.00 C ATOM 730 O GLU A 47 -21.767 -12.132 2.003 1.00 0.00 O ATOM 731 CB GLU A 47 -24.945 -11.265 1.932 1.00 0.00 C ATOM 732 CG GLU A 47 -25.916 -11.032 3.092 1.00 0.00 C ATOM 733 CD GLU A 47 -25.518 -11.914 4.276 1.00 0.00 C ATOM 734 OE1 GLU A 47 -25.619 -13.124 4.149 1.00 0.00 O ATOM 735 OE2 GLU A 47 -25.119 -11.365 5.290 1.00 0.00 O ATOM 0 H GLU A 47 -24.605 -8.971 1.314 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.359 -10.685 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.355 -10.850 1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.809 -12.334 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.903 -9.983 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.934 -11.262 2.779 1.00 0.00 H new ATOM 742 N ARG A 48 -22.296 -10.931 0.232 1.00 0.00 N ATOM 743 CA ARG A 48 -21.212 -11.547 -0.588 1.00 0.00 C ATOM 744 C ARG A 48 -19.917 -10.746 -0.431 1.00 0.00 C ATOM 745 O ARG A 48 -18.835 -11.300 -0.395 1.00 0.00 O ATOM 746 CB ARG A 48 -21.716 -11.477 -2.030 1.00 0.00 C ATOM 747 CG ARG A 48 -21.266 -12.727 -2.790 1.00 0.00 C ATOM 748 CD ARG A 48 -22.091 -12.872 -4.070 1.00 0.00 C ATOM 749 NE ARG A 48 -21.255 -12.256 -5.138 1.00 0.00 N ATOM 750 CZ ARG A 48 -20.542 -13.014 -5.925 1.00 0.00 C ATOM 751 NH1 ARG A 48 -21.085 -13.549 -6.984 1.00 0.00 N ATOM 752 NH2 ARG A 48 -19.285 -13.236 -5.654 1.00 0.00 N ATOM 0 H ARG A 48 -22.860 -10.233 -0.254 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.993 -12.571 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.803 -11.402 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.329 -10.583 -2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.206 -12.655 -3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.389 -13.610 -2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.301 -13.919 -4.288 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -23.052 -12.366 -3.980 1.00 0.00 H new ATOM 0 HE ARG A 48 -21.240 -11.243 -5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -22.067 -13.375 -7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.527 -14.142 -7.599 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.860 -12.817 -4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.728 -13.829 -6.269 1.00 0.00 H new ATOM 766 N TRP A 49 -20.025 -9.444 -0.334 1.00 0.00 N ATOM 767 CA TRP A 49 -18.803 -8.596 -0.173 1.00 0.00 C ATOM 768 C TRP A 49 -18.099 -8.938 1.144 1.00 0.00 C ATOM 769 O TRP A 49 -16.897 -9.128 1.184 1.00 0.00 O ATOM 770 CB TRP A 49 -19.317 -7.152 -0.152 1.00 0.00 C ATOM 771 CG TRP A 49 -18.165 -6.204 -0.028 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.978 -5.339 0.996 1.00 0.00 C ATOM 773 CD2 TRP A 49 -17.042 -6.012 -0.935 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.814 -4.628 0.774 1.00 0.00 N ATOM 775 CE2 TRP A 49 -16.199 -5.007 -0.404 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.675 -6.606 -2.157 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -15.035 -4.605 -1.059 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.504 -6.204 -2.819 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.686 -5.206 -2.272 1.00 0.00 C ATOM 0 H TRP A 49 -20.907 -8.931 -0.359 1.00 0.00 H new ATOM 0 HA TRP A 49 -18.080 -8.755 -0.973 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.876 -6.942 -1.064 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -20.005 -7.014 0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.632 -5.223 1.848 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.453 -3.911 1.403 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.298 -7.376 -2.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.408 -3.836 -0.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.232 -6.667 -3.756 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.787 -4.902 -2.787 1.00 0.00 H new ATOM 790 N LYS A 50 -18.841 -9.018 2.218 1.00 0.00 N ATOM 791 CA LYS A 50 -18.223 -9.348 3.539 1.00 0.00 C ATOM 792 C LYS A 50 -17.666 -10.774 3.521 1.00 0.00 C ATOM 793 O LYS A 50 -16.720 -11.088 4.219 1.00 0.00 O ATOM 794 CB LYS A 50 -19.362 -9.229 4.556 1.00 0.00 C ATOM 795 CG LYS A 50 -19.454 -7.785 5.052 1.00 0.00 C ATOM 796 CD LYS A 50 -20.881 -7.494 5.519 1.00 0.00 C ATOM 797 CE LYS A 50 -21.059 -7.990 6.956 1.00 0.00 C ATOM 798 NZ LYS A 50 -22.250 -7.258 7.470 1.00 0.00 N ATOM 0 H LYS A 50 -19.850 -8.869 2.238 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.392 -8.685 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.305 -9.528 4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.187 -9.902 5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.753 -7.626 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.174 -7.097 4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.082 -6.424 5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.598 -7.986 4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.215 -9.068 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.176 -7.780 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.436 -7.545 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -22.069 -6.234 7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -23.077 -7.483 6.881 1.00 0.00 H new ATOM 812 N THR A 51 -18.245 -11.637 2.726 1.00 0.00 N ATOM 813 CA THR A 51 -17.755 -13.047 2.653 1.00 0.00 C ATOM 814 C THR A 51 -16.783 -13.234 1.478 1.00 0.00 C ATOM 815 O THR A 51 -16.157 -14.269 1.348 1.00 0.00 O ATOM 816 CB THR A 51 -19.014 -13.890 2.442 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.728 -13.398 1.316 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.901 -13.808 3.687 1.00 0.00 C ATOM 0 H THR A 51 -19.039 -11.425 2.122 1.00 0.00 H new ATOM 0 HA THR A 51 -17.209 -13.332 3.552 1.00 0.00 H new ATOM 0 HB THR A 51 -18.731 -14.928 2.268 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.656 -13.213 1.572 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.798 -14.409 3.535 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.353 -14.186 4.550 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.185 -12.771 3.864 1.00 0.00 H new ATOM 826 N MET A 52 -16.649 -12.246 0.619 1.00 0.00 N ATOM 827 CA MET A 52 -15.716 -12.378 -0.545 1.00 0.00 C ATOM 828 C MET A 52 -14.290 -12.656 -0.058 1.00 0.00 C ATOM 829 O MET A 52 -13.972 -12.459 1.099 1.00 0.00 O ATOM 830 CB MET A 52 -15.780 -11.029 -1.266 1.00 0.00 C ATOM 831 CG MET A 52 -16.841 -11.085 -2.371 1.00 0.00 C ATOM 832 SD MET A 52 -16.053 -11.429 -3.966 1.00 0.00 S ATOM 833 CE MET A 52 -15.882 -9.711 -4.507 1.00 0.00 C ATOM 0 H MET A 52 -17.146 -11.357 0.676 1.00 0.00 H new ATOM 0 HA MET A 52 -15.995 -13.204 -1.199 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.021 -10.237 -0.557 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.807 -10.788 -1.694 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.575 -11.858 -2.144 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.380 -10.139 -2.418 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.306 -9.600 -5.505 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.410 -9.057 -3.813 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.826 -9.440 -4.529 1.00 0.00 H new ATOM 843 N SER A 53 -13.434 -13.115 -0.937 1.00 0.00 N ATOM 844 CA SER A 53 -12.028 -13.412 -0.535 1.00 0.00 C ATOM 845 C SER A 53 -11.129 -12.204 -0.813 1.00 0.00 C ATOM 846 O SER A 53 -11.521 -11.269 -1.485 1.00 0.00 O ATOM 847 CB SER A 53 -11.611 -14.599 -1.402 1.00 0.00 C ATOM 848 OG SER A 53 -10.444 -15.196 -0.853 1.00 0.00 O ATOM 0 H SER A 53 -13.650 -13.297 -1.917 1.00 0.00 H new ATOM 0 HA SER A 53 -11.942 -13.633 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.418 -15.330 -1.451 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.418 -14.268 -2.423 1.00 0.00 H new ATOM 0 HG SER A 53 -10.175 -15.959 -1.407 1.00 0.00 H new ATOM 854 N ALA A 54 -9.926 -12.221 -0.298 1.00 0.00 N ATOM 855 CA ALA A 54 -8.988 -11.077 -0.526 1.00 0.00 C ATOM 856 C ALA A 54 -8.585 -11.001 -2.004 1.00 0.00 C ATOM 857 O ALA A 54 -8.201 -9.955 -2.493 1.00 0.00 O ATOM 858 CB ALA A 54 -7.767 -11.377 0.346 1.00 0.00 C ATOM 0 H ALA A 54 -9.551 -12.979 0.272 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.444 -10.120 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.033 -10.579 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.073 -11.441 1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.324 -12.324 0.039 1.00 0.00 H new ATOM 864 N LYS A 55 -8.669 -12.099 -2.716 1.00 0.00 N ATOM 865 CA LYS A 55 -8.290 -12.088 -4.162 1.00 0.00 C ATOM 866 C LYS A 55 -9.311 -11.277 -4.962 1.00 0.00 C ATOM 867 O LYS A 55 -8.984 -10.662 -5.959 1.00 0.00 O ATOM 868 CB LYS A 55 -8.312 -13.555 -4.597 1.00 0.00 C ATOM 869 CG LYS A 55 -7.009 -14.234 -4.170 1.00 0.00 C ATOM 870 CD LYS A 55 -5.880 -13.805 -5.108 1.00 0.00 C ATOM 871 CE LYS A 55 -4.573 -14.472 -4.672 1.00 0.00 C ATOM 872 NZ LYS A 55 -4.083 -13.647 -3.532 1.00 0.00 N ATOM 0 H LYS A 55 -8.983 -13.001 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.314 -11.633 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.164 -14.065 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.432 -13.623 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.765 -13.964 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.126 -15.317 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.119 -14.085 -6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.771 -12.721 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.739 -15.506 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.848 -14.491 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.179 -13.202 -3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.782 -12.909 -3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.945 -14.254 -2.698 1.00 0.00 H new ATOM 886 N GLU A 56 -10.542 -11.273 -4.524 1.00 0.00 N ATOM 887 CA GLU A 56 -11.598 -10.504 -5.244 1.00 0.00 C ATOM 888 C GLU A 56 -11.764 -9.123 -4.608 1.00 0.00 C ATOM 889 O GLU A 56 -11.927 -8.130 -5.291 1.00 0.00 O ATOM 890 CB GLU A 56 -12.869 -11.333 -5.072 1.00 0.00 C ATOM 891 CG GLU A 56 -12.842 -12.513 -6.044 1.00 0.00 C ATOM 892 CD GLU A 56 -14.254 -13.082 -6.196 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.695 -13.768 -5.289 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.869 -12.823 -7.216 1.00 0.00 O ATOM 0 H GLU A 56 -10.863 -11.772 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.356 -10.343 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.945 -11.694 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.747 -10.715 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.462 -12.191 -7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.165 -13.285 -5.677 1.00 0.00 H new ATOM 901 N LYS A 57 -11.718 -9.059 -3.303 1.00 0.00 N ATOM 902 CA LYS A 57 -11.865 -7.744 -2.605 1.00 0.00 C ATOM 903 C LYS A 57 -10.660 -6.843 -2.901 1.00 0.00 C ATOM 904 O LYS A 57 -10.734 -5.635 -2.766 1.00 0.00 O ATOM 905 CB LYS A 57 -11.924 -8.085 -1.114 1.00 0.00 C ATOM 906 CG LYS A 57 -13.384 -8.190 -0.670 1.00 0.00 C ATOM 907 CD LYS A 57 -13.459 -8.134 0.857 1.00 0.00 C ATOM 908 CE LYS A 57 -12.958 -9.457 1.442 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.422 -9.452 2.858 1.00 0.00 N ATOM 0 H LYS A 57 -11.585 -9.862 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.753 -7.204 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.407 -9.026 -0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.411 -7.317 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.966 -7.377 -1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.819 -9.122 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.856 -7.307 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.485 -7.949 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.364 -10.309 0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.872 -9.529 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.116 -10.329 3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.014 -8.634 3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.460 -9.390 2.883 1.00 0.00 H new ATOM 923 N SER A 58 -9.550 -7.419 -3.300 1.00 0.00 N ATOM 924 CA SER A 58 -8.341 -6.594 -3.602 1.00 0.00 C ATOM 925 C SER A 58 -8.477 -5.932 -4.977 1.00 0.00 C ATOM 926 O SER A 58 -7.953 -4.858 -5.211 1.00 0.00 O ATOM 927 CB SER A 58 -7.173 -7.580 -3.598 1.00 0.00 C ATOM 928 OG SER A 58 -7.459 -8.652 -4.487 1.00 0.00 O ATOM 0 H SER A 58 -9.431 -8.424 -3.429 1.00 0.00 H new ATOM 0 HA SER A 58 -8.201 -5.793 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.256 -7.076 -3.902 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.008 -7.962 -2.591 1.00 0.00 H new ATOM 0 HG SER A 58 -7.701 -9.449 -3.971 1.00 0.00 H new ATOM 934 N LYS A 59 -9.177 -6.566 -5.884 1.00 0.00 N ATOM 935 CA LYS A 59 -9.351 -5.977 -7.247 1.00 0.00 C ATOM 936 C LYS A 59 -10.156 -4.677 -7.164 1.00 0.00 C ATOM 937 O LYS A 59 -9.995 -3.786 -7.976 1.00 0.00 O ATOM 938 CB LYS A 59 -10.118 -7.031 -8.049 1.00 0.00 C ATOM 939 CG LYS A 59 -10.059 -6.683 -9.538 1.00 0.00 C ATOM 940 CD LYS A 59 -10.767 -7.772 -10.346 1.00 0.00 C ATOM 941 CE LYS A 59 -12.282 -7.574 -10.257 1.00 0.00 C ATOM 942 NZ LYS A 59 -12.840 -8.365 -11.388 1.00 0.00 N ATOM 0 H LYS A 59 -9.635 -7.466 -5.740 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.396 -5.732 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.687 -8.018 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.155 -7.074 -7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.533 -5.718 -9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.022 -6.593 -9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.446 -7.734 -11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.496 -8.756 -9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.670 -7.924 -9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.548 -6.520 -10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.876 -8.279 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.458 -8.005 -12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.576 -9.365 -11.276 1.00 0.00 H new ATOM 956 N PHE A 60 -11.020 -4.568 -6.187 1.00 0.00 N ATOM 957 CA PHE A 60 -11.842 -3.329 -6.042 1.00 0.00 C ATOM 958 C PHE A 60 -11.075 -2.277 -5.233 1.00 0.00 C ATOM 959 O PHE A 60 -11.265 -1.089 -5.411 1.00 0.00 O ATOM 960 CB PHE A 60 -13.097 -3.773 -5.290 1.00 0.00 C ATOM 961 CG PHE A 60 -13.988 -4.561 -6.219 1.00 0.00 C ATOM 962 CD1 PHE A 60 -14.597 -3.928 -7.309 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.206 -5.925 -5.991 1.00 0.00 C ATOM 964 CE1 PHE A 60 -15.425 -4.660 -8.170 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.033 -6.656 -6.851 1.00 0.00 C ATOM 966 CZ PHE A 60 -15.642 -6.023 -7.941 1.00 0.00 C ATOM 0 H PHE A 60 -11.192 -5.285 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.082 -2.877 -7.004 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.822 -4.382 -4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.631 -2.903 -4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.429 -2.876 -7.486 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.735 -6.413 -5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -15.896 -4.172 -9.011 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.201 -7.708 -6.674 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.280 -6.587 -8.605 1.00 0.00 H new ATOM 976 N GLU A 61 -10.212 -2.710 -4.349 1.00 0.00 N ATOM 977 CA GLU A 61 -9.428 -1.740 -3.525 1.00 0.00 C ATOM 978 C GLU A 61 -8.350 -1.070 -4.381 1.00 0.00 C ATOM 979 O GLU A 61 -7.965 0.058 -4.136 1.00 0.00 O ATOM 980 CB GLU A 61 -8.786 -2.580 -2.418 1.00 0.00 C ATOM 981 CG GLU A 61 -8.326 -1.664 -1.284 1.00 0.00 C ATOM 982 CD GLU A 61 -7.737 -2.509 -0.152 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.467 -3.314 0.401 1.00 0.00 O ATOM 984 OE2 GLU A 61 -6.566 -2.335 0.142 1.00 0.00 O ATOM 0 H GLU A 61 -10.016 -3.693 -4.162 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.054 -0.945 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.501 -3.312 -2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.938 -3.138 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.580 -0.959 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.166 -1.076 -0.914 1.00 0.00 H new ATOM 991 N ASP A 62 -7.865 -1.759 -5.382 1.00 0.00 N ATOM 992 CA ASP A 62 -6.810 -1.168 -6.262 1.00 0.00 C ATOM 993 C ASP A 62 -7.425 -0.121 -7.195 1.00 0.00 C ATOM 994 O ASP A 62 -6.769 0.818 -7.605 1.00 0.00 O ATOM 995 CB ASP A 62 -6.256 -2.344 -7.070 1.00 0.00 C ATOM 996 CG ASP A 62 -4.936 -1.936 -7.726 1.00 0.00 C ATOM 997 OD1 ASP A 62 -3.971 -1.750 -7.005 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.913 -1.816 -8.940 1.00 0.00 O ATOM 0 H ASP A 62 -8.154 -2.706 -5.629 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.031 -0.666 -5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.100 -3.205 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.975 -2.646 -7.832 1.00 0.00 H new ATOM 1003 N MET A 63 -8.682 -0.276 -7.529 1.00 0.00 N ATOM 1004 CA MET A 63 -9.349 0.707 -8.434 1.00 0.00 C ATOM 1005 C MET A 63 -9.840 1.915 -7.633 1.00 0.00 C ATOM 1006 O MET A 63 -9.913 3.018 -8.140 1.00 0.00 O ATOM 1007 CB MET A 63 -10.531 -0.050 -9.041 1.00 0.00 C ATOM 1008 CG MET A 63 -10.051 -0.872 -10.239 1.00 0.00 C ATOM 1009 SD MET A 63 -9.680 0.236 -11.620 1.00 0.00 S ATOM 1010 CE MET A 63 -9.872 -0.981 -12.946 1.00 0.00 C ATOM 0 H MET A 63 -9.275 -1.043 -7.213 1.00 0.00 H new ATOM 0 HA MET A 63 -8.673 1.087 -9.200 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.979 -0.705 -8.294 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.304 0.652 -9.354 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.163 -1.444 -9.969 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.817 -1.591 -10.531 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.684 -0.504 -13.908 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.161 -1.794 -12.799 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.887 -1.379 -12.930 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.176 1.712 -6.383 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.663 2.844 -5.539 1.00 0.00 C ATOM 1022 C ALA A 64 -9.483 3.701 -5.071 1.00 0.00 C ATOM 1023 O ALA A 64 -9.576 4.910 -4.992 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.354 2.184 -4.344 1.00 0.00 C ATOM 0 H ALA A 64 -10.134 0.809 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.338 3.503 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.740 2.954 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.178 1.564 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.637 1.563 -3.807 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.373 3.077 -4.764 1.00 0.00 N ATOM 1031 CA LYS A 65 -7.178 3.848 -4.301 1.00 0.00 C ATOM 1032 C LYS A 65 -6.649 4.730 -5.435 1.00 0.00 C ATOM 1033 O LYS A 65 -6.091 5.787 -5.202 1.00 0.00 O ATOM 1034 CB LYS A 65 -6.140 2.793 -3.915 1.00 0.00 C ATOM 1035 CG LYS A 65 -5.160 3.386 -2.901 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.959 3.981 -3.637 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.022 4.651 -2.630 1.00 0.00 C ATOM 1038 NZ LYS A 65 -1.816 5.029 -3.419 1.00 0.00 N ATOM 0 H LYS A 65 -8.243 2.067 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.414 4.507 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.635 1.920 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.603 2.455 -4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.655 4.156 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.828 2.614 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.428 3.199 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.296 4.708 -4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.489 5.526 -2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.765 3.972 -1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.126 5.495 -2.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.389 4.175 -3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.090 5.681 -4.181 1.00 0.00 H new ATOM 1052 N SER A 66 -6.822 4.302 -6.660 1.00 0.00 N ATOM 1053 CA SER A 66 -6.331 5.111 -7.818 1.00 0.00 C ATOM 1054 C SER A 66 -7.058 6.458 -7.864 1.00 0.00 C ATOM 1055 O SER A 66 -6.487 7.468 -8.230 1.00 0.00 O ATOM 1056 CB SER A 66 -6.662 4.283 -9.060 1.00 0.00 C ATOM 1057 OG SER A 66 -6.007 4.847 -10.189 1.00 0.00 O ATOM 0 H SER A 66 -7.282 3.427 -6.909 1.00 0.00 H new ATOM 0 HA SER A 66 -5.264 5.323 -7.747 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.343 3.250 -8.918 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.740 4.264 -9.222 1.00 0.00 H new ATOM 0 HG SER A 66 -6.216 4.318 -10.987 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.313 6.476 -7.495 1.00 0.00 N ATOM 1064 CA ASP A 67 -9.087 7.754 -7.513 1.00 0.00 C ATOM 1065 C ASP A 67 -8.880 8.515 -6.201 1.00 0.00 C ATOM 1066 O ASP A 67 -8.769 9.727 -6.189 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.549 7.330 -7.662 1.00 0.00 C ATOM 1068 CG ASP A 67 -11.384 8.526 -8.120 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -11.232 8.927 -9.261 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -12.162 9.022 -7.320 1.00 0.00 O ATOM 0 H ASP A 67 -8.837 5.659 -7.181 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.771 8.417 -8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.631 6.518 -8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.927 6.951 -6.712 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.826 7.811 -5.099 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.626 8.487 -3.780 1.00 0.00 C ATOM 1077 C LYS A 68 -7.240 9.137 -3.725 1.00 0.00 C ATOM 1078 O LYS A 68 -7.042 10.139 -3.067 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.737 7.375 -2.735 1.00 0.00 C ATOM 1080 CG LYS A 68 -9.294 7.951 -1.432 1.00 0.00 C ATOM 1081 CD LYS A 68 -8.173 8.651 -0.663 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.503 8.655 0.832 1.00 0.00 C ATOM 1083 NZ LYS A 68 -8.074 7.315 1.322 1.00 0.00 N ATOM 0 H LYS A 68 -8.912 6.796 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.357 9.277 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.388 6.581 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.758 6.929 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.097 8.656 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.724 7.155 -0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.226 8.140 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.054 9.673 -1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.974 9.454 1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.568 8.815 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.797 6.932 1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.954 6.672 0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.171 7.404 1.831 1.00 0.00 H new ATOM 1097 N ALA A 69 -6.283 8.569 -4.414 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.906 9.145 -4.410 1.00 0.00 C ATOM 1099 C ALA A 69 -4.787 10.244 -5.470 1.00 0.00 C ATOM 1100 O ALA A 69 -3.997 11.161 -5.338 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.985 7.973 -4.747 1.00 0.00 C ATOM 0 H ALA A 69 -6.397 7.729 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.653 9.600 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.951 8.316 -4.764 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.097 7.194 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.250 7.572 -5.725 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.566 10.157 -6.519 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.503 11.192 -7.594 1.00 0.00 C ATOM 1109 C ARG A 70 -6.581 12.260 -7.377 1.00 0.00 C ATOM 1110 O ARG A 70 -6.990 12.934 -8.305 1.00 0.00 O ATOM 1111 CB ARG A 70 -5.765 10.428 -8.891 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.312 11.274 -10.084 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.401 10.441 -11.364 1.00 0.00 C ATOM 1114 NE ARG A 70 -5.005 11.373 -12.456 1.00 0.00 N ATOM 1115 CZ ARG A 70 -4.282 10.941 -13.452 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -4.810 10.155 -14.351 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -3.028 11.294 -13.550 1.00 0.00 N ATOM 0 H ARG A 70 -6.244 9.412 -6.677 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.544 11.711 -7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.229 9.479 -8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.826 10.194 -8.980 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.937 12.162 -10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.289 11.618 -9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.737 9.578 -11.321 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.410 10.059 -11.517 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.299 12.349 -12.425 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.789 9.878 -14.275 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.244 9.818 -15.129 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.614 11.907 -12.848 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.462 10.956 -14.329 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.042 12.422 -6.161 1.00 0.00 N ATOM 1132 CA TYR A 71 -8.092 13.448 -5.882 1.00 0.00 C ATOM 1133 C TYR A 71 -7.749 14.233 -4.612 1.00 0.00 C ATOM 1134 O TYR A 71 -8.620 14.758 -3.945 1.00 0.00 O ATOM 1135 CB TYR A 71 -9.382 12.652 -5.687 1.00 0.00 C ATOM 1136 CG TYR A 71 -10.570 13.568 -5.862 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -11.048 13.857 -7.147 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -11.194 14.128 -4.742 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -12.148 14.706 -7.311 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -12.296 14.977 -4.905 1.00 0.00 C ATOM 1141 CZ TYR A 71 -12.772 15.266 -6.189 1.00 0.00 C ATOM 1142 OH TYR A 71 -13.858 16.103 -6.350 1.00 0.00 O ATOM 0 H TYR A 71 -6.735 11.887 -5.349 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.178 14.176 -6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.430 11.835 -6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.398 12.203 -4.694 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.567 13.424 -8.012 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.826 13.906 -3.751 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.516 14.929 -8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.778 15.408 -4.040 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.172 16.404 -5.472 1.00 0.00 H new