USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 854 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 MET CE :methyl -173:sc= 0 (180deg=-0.0619) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 14 TYR OH : rot 4:sc= 1.09 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.588 K(o=0.5,f=-5.2) USER MOD Set 3.1: A 41 SER OG : rot -72:sc= -0.442 USER MOD Set 3.2: A 66 GLN : amide:sc= -7.34! C(o=-7.8!,f=-7.7!) USER MOD Set 4.1: A 19 LYS NZ :NH3+ -123:sc= -0.354 (180deg=-0.0627) USER MOD Set 4.2: A 105 GLN : amide:sc= -0.394 K(o=-0.75,f=-11!) USER MOD Single : A 13 SER OG : rot 38:sc= 0.0406 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 90:sc= 0.886 USER MOD Single : A 29 SER OG : rot -35:sc= 0.0798 USER MOD Single : A 35 GLN :FLIP amide:sc= -6.09! C(o=-7!,f=-6.1!) USER MOD Single : A 46 CYS SG : rot 180:sc= -5.45! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 135:sc= -0.107 (180deg=-0.56) USER MOD Single : A 67 LYS NZ :NH3+ 178:sc= 0.478 (180deg=0.475) USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= -0.0154 (180deg=-0.174) USER MOD Single : A 75 CYS SG : rot -129:sc= -1.01 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : A 85 LYS NZ :NH3+ -112:sc= -0.512 (180deg=-3.14!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0.025) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -3.15! C(o=-3.1!,f=-10!) USER MOD Single : A 92 HIS : no HE2:sc= -0.513 K(o=-0.51,f=-1.7!) USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= -1.72! (180deg=-3.58!) USER MOD Single : A 97 ASN : amide:sc= -0.84 K(o=-0.84,f=-5.5!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -120:sc= 1.14 (180deg=-0.983!) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 1.227 13.442 -8.391 1.00 0.00 N ATOM 164 CA SER A 13 0.317 12.308 -8.479 1.00 0.00 C ATOM 165 C SER A 13 -0.053 11.794 -7.084 1.00 0.00 C ATOM 166 O SER A 13 -1.014 12.278 -6.486 1.00 0.00 O ATOM 167 CB SER A 13 0.933 11.194 -9.327 1.00 0.00 C ATOM 168 OG SER A 13 1.193 11.636 -10.649 1.00 0.00 O ATOM 0 HA SER A 13 -0.600 12.641 -8.965 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.860 10.854 -8.866 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.258 10.339 -9.354 1.00 0.00 H new ATOM 0 HG SER A 13 1.510 12.563 -10.628 1.00 0.00 H new ATOM 174 N TYR A 14 0.738 10.841 -6.562 1.00 0.00 N ATOM 175 CA TYR A 14 0.449 10.182 -5.280 1.00 0.00 C ATOM 176 C TYR A 14 -1.035 9.826 -5.143 1.00 0.00 C ATOM 177 O TYR A 14 -1.835 10.633 -4.667 1.00 0.00 O ATOM 178 CB TYR A 14 0.904 11.045 -4.088 1.00 0.00 C ATOM 179 CG TYR A 14 2.386 10.929 -3.766 1.00 0.00 C ATOM 180 CD1 TYR A 14 2.901 9.768 -3.195 1.00 0.00 C ATOM 181 CD2 TYR A 14 3.266 11.976 -4.015 1.00 0.00 C ATOM 182 CE1 TYR A 14 4.243 9.656 -2.883 1.00 0.00 C ATOM 183 CE2 TYR A 14 4.612 11.867 -3.707 1.00 0.00 C ATOM 184 CZ TYR A 14 5.093 10.706 -3.143 1.00 0.00 C ATOM 185 OH TYR A 14 6.430 10.599 -2.828 1.00 0.00 O ATOM 0 H TYR A 14 1.590 10.509 -7.014 1.00 0.00 H new ATOM 0 HA TYR A 14 1.019 9.253 -5.270 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.670 12.088 -4.299 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.329 10.761 -3.207 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.239 8.939 -2.992 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.894 12.889 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.622 8.748 -2.437 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.282 12.690 -3.908 1.00 0.00 H new ATOM 0 HH TYR A 14 6.616 9.696 -2.495 1.00 0.00 H new ATOM 195 N ILE A 15 -1.394 8.615 -5.564 1.00 0.00 N ATOM 196 CA ILE A 15 -2.778 8.155 -5.485 1.00 0.00 C ATOM 197 C ILE A 15 -3.236 8.132 -4.029 1.00 0.00 C ATOM 198 O ILE A 15 -4.279 8.688 -3.680 1.00 0.00 O ATOM 199 CB ILE A 15 -2.944 6.739 -6.096 1.00 0.00 C ATOM 200 CG1 ILE A 15 -2.475 6.724 -7.561 1.00 0.00 C ATOM 201 CG2 ILE A 15 -4.400 6.273 -5.993 1.00 0.00 C ATOM 202 CD1 ILE A 15 -2.575 5.363 -8.221 1.00 0.00 C ATOM 0 H ILE A 15 -0.746 7.936 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.391 8.850 -6.059 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.322 6.047 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.070 7.438 -8.131 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.440 7.064 -7.605 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.495 5.278 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.699 6.242 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.043 6.967 -6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.227 5.432 -9.252 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.958 4.648 -7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.612 5.029 -8.210 1.00 0.00 H new ATOM 214 N VAL A 16 -2.433 7.489 -3.186 1.00 0.00 N ATOM 215 CA VAL A 16 -2.709 7.397 -1.757 1.00 0.00 C ATOM 216 C VAL A 16 -1.413 7.554 -0.967 1.00 0.00 C ATOM 217 O VAL A 16 -0.479 6.772 -1.144 1.00 0.00 O ATOM 218 CB VAL A 16 -3.368 6.038 -1.380 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.579 5.936 0.132 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.692 5.841 -2.120 1.00 0.00 C ATOM 0 H VAL A 16 -1.575 7.018 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.406 8.198 -1.508 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.688 5.244 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.041 4.978 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.617 6.012 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.230 6.745 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.128 4.883 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.379 6.645 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.513 5.854 -3.195 1.00 0.00 H new ATOM 230 N ARG A 17 -1.351 8.582 -0.122 1.00 0.00 N ATOM 231 CA ARG A 17 -0.232 8.762 0.799 1.00 0.00 C ATOM 232 C ARG A 17 -0.758 8.954 2.220 1.00 0.00 C ATOM 233 O ARG A 17 -0.979 10.081 2.675 1.00 0.00 O ATOM 234 CB ARG A 17 0.678 9.933 0.373 1.00 0.00 C ATOM 235 CG ARG A 17 1.830 10.200 1.351 1.00 0.00 C ATOM 236 CD ARG A 17 3.047 10.840 0.681 1.00 0.00 C ATOM 237 NE ARG A 17 2.757 12.139 0.067 1.00 0.00 N ATOM 238 CZ ARG A 17 3.696 12.948 -0.438 1.00 0.00 C ATOM 239 NH1 ARG A 17 4.985 12.664 -0.283 1.00 0.00 N ATOM 240 NH2 ARG A 17 3.350 14.067 -1.051 1.00 0.00 N ATOM 0 H ARG A 17 -2.067 9.306 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 17 0.383 7.863 0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.091 9.722 -0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.075 10.836 0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.477 10.852 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.130 9.261 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.837 10.965 1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.430 10.163 -0.082 1.00 0.00 H new ATOM 0 HE ARG A 17 1.785 12.444 0.022 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.265 11.824 0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.694 13.286 -0.671 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.365 14.316 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.068 14.681 -1.435 1.00 0.00 H new ATOM 254 N VAL A 18 -0.974 7.832 2.904 1.00 0.00 N ATOM 255 CA VAL A 18 -1.533 7.825 4.257 1.00 0.00 C ATOM 256 C VAL A 18 -0.532 7.228 5.246 1.00 0.00 C ATOM 257 O VAL A 18 0.521 6.730 4.842 1.00 0.00 O ATOM 258 CB VAL A 18 -2.856 7.016 4.321 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.920 7.640 3.420 1.00 0.00 C ATOM 260 CG2 VAL A 18 -2.619 5.551 3.945 1.00 0.00 C ATOM 0 H VAL A 18 -0.767 6.903 2.538 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.743 8.860 4.526 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.220 7.048 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.838 7.055 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.118 8.662 3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.564 7.649 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.561 5.005 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.223 5.495 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.904 5.108 4.639 1.00 0.00 H new ATOM 270 N LYS A 19 -0.853 7.291 6.534 1.00 0.00 N ATOM 271 CA LYS A 19 0.021 6.747 7.571 1.00 0.00 C ATOM 272 C LYS A 19 -0.348 5.298 7.891 1.00 0.00 C ATOM 273 O LYS A 19 -1.524 4.964 8.048 1.00 0.00 O ATOM 274 CB LYS A 19 -0.045 7.601 8.846 1.00 0.00 C ATOM 275 CG LYS A 19 0.821 7.062 9.986 1.00 0.00 C ATOM 276 CD LYS A 19 0.799 7.973 11.212 1.00 0.00 C ATOM 277 CE LYS A 19 -0.614 8.182 11.745 1.00 0.00 C ATOM 278 NZ LYS A 19 -1.269 6.906 12.138 1.00 0.00 N ATOM 0 H LYS A 19 -1.712 7.713 6.886 1.00 0.00 H new ATOM 0 HA LYS A 19 1.042 6.769 7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.270 8.617 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.080 7.658 9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.470 6.069 10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.848 6.950 9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.421 7.541 11.996 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.235 8.938 10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.579 8.849 12.606 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.217 8.677 10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.159 6.796 11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.637 6.110 11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.469 6.919 13.158 1.00 0.00 H new ATOM 292 N ALA A 20 0.677 4.461 7.988 1.00 0.00 N ATOM 293 CA ALA A 20 0.531 3.047 8.322 1.00 0.00 C ATOM 294 C ALA A 20 1.875 2.524 8.826 1.00 0.00 C ATOM 295 O ALA A 20 2.751 3.319 9.173 1.00 0.00 O ATOM 296 CB ALA A 20 0.053 2.259 7.106 1.00 0.00 C ATOM 0 H ALA A 20 1.644 4.746 7.836 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.218 2.924 9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.051 1.207 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.911 2.647 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.779 2.359 6.299 1.00 0.00 H new ATOM 302 N VAL A 21 2.043 1.205 8.877 1.00 0.00 N ATOM 303 CA VAL A 21 3.313 0.605 9.295 1.00 0.00 C ATOM 304 C VAL A 21 3.849 -0.308 8.193 1.00 0.00 C ATOM 305 O VAL A 21 3.285 -1.368 7.935 1.00 0.00 O ATOM 306 CB VAL A 21 3.157 -0.215 10.604 1.00 0.00 C ATOM 307 CG1 VAL A 21 4.518 -0.692 11.115 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.422 0.594 11.673 1.00 0.00 C ATOM 0 H VAL A 21 1.318 0.529 8.635 1.00 0.00 H new ATOM 0 HA VAL A 21 4.014 1.419 9.481 1.00 0.00 H new ATOM 0 HB VAL A 21 2.555 -1.096 10.380 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.382 -1.264 12.033 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.989 -1.323 10.361 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.154 0.170 11.316 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.326 -0.003 12.580 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.985 1.501 11.894 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.430 0.862 11.309 1.00 0.00 H new ATOM 318 N VAL A 22 4.925 0.109 7.531 1.00 0.00 N ATOM 319 CA VAL A 22 5.496 -0.671 6.432 1.00 0.00 C ATOM 320 C VAL A 22 6.442 -1.754 6.960 1.00 0.00 C ATOM 321 O VAL A 22 7.298 -1.491 7.807 1.00 0.00 O ATOM 322 CB VAL A 22 6.236 0.224 5.403 1.00 0.00 C ATOM 323 CG1 VAL A 22 5.249 1.119 4.657 1.00 0.00 C ATOM 324 CG2 VAL A 22 7.317 1.069 6.076 1.00 0.00 C ATOM 0 H VAL A 22 5.419 0.978 7.734 1.00 0.00 H new ATOM 0 HA VAL A 22 4.661 -1.148 5.919 1.00 0.00 H new ATOM 0 HB VAL A 22 6.723 -0.434 4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.789 1.738 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.525 0.500 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.728 1.759 5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.816 1.684 5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.860 1.712 6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.046 0.414 6.553 1.00 0.00 H new ATOM 334 N MET A 23 6.280 -2.970 6.442 1.00 0.00 N ATOM 335 CA MET A 23 7.058 -4.130 6.885 1.00 0.00 C ATOM 336 C MET A 23 7.905 -4.664 5.734 1.00 0.00 C ATOM 337 O MET A 23 7.539 -4.516 4.567 1.00 0.00 O ATOM 338 CB MET A 23 6.122 -5.246 7.385 1.00 0.00 C ATOM 339 CG MET A 23 5.279 -4.871 8.599 1.00 0.00 C ATOM 340 SD MET A 23 6.265 -4.624 10.086 1.00 0.00 S ATOM 341 CE MET A 23 4.981 -4.352 11.305 1.00 0.00 C ATOM 0 H MET A 23 5.608 -3.181 5.705 1.00 0.00 H new ATOM 0 HA MET A 23 7.708 -3.815 7.701 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.456 -5.535 6.572 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.722 -6.122 7.632 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.723 -3.959 8.382 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.545 -5.656 8.782 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.435 -4.061 12.253 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.316 -3.559 10.962 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.410 -5.270 11.443 1.00 0.00 H new ATOM 351 N THR A 24 9.028 -5.292 6.059 1.00 0.00 N ATOM 352 CA THR A 24 9.874 -5.909 5.044 1.00 0.00 C ATOM 353 C THR A 24 10.275 -7.325 5.454 1.00 0.00 C ATOM 354 O THR A 24 10.538 -7.600 6.632 1.00 0.00 O ATOM 355 CB THR A 24 11.141 -5.064 4.758 1.00 0.00 C ATOM 356 OG1 THR A 24 11.939 -5.692 3.744 1.00 0.00 O ATOM 357 CG2 THR A 24 11.979 -4.866 6.016 1.00 0.00 C ATOM 0 H THR A 24 9.374 -5.388 7.014 1.00 0.00 H new ATOM 0 HA THR A 24 9.286 -5.958 4.127 1.00 0.00 H new ATOM 0 HB THR A 24 10.810 -4.085 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.736 -5.148 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.859 -4.269 5.777 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.385 -4.351 6.771 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.293 -5.836 6.401 1.00 0.00 H new ATOM 365 N ARG A 25 10.284 -8.227 4.479 1.00 0.00 N ATOM 366 CA ARG A 25 10.750 -9.589 4.683 1.00 0.00 C ATOM 367 C ARG A 25 12.244 -9.647 4.386 1.00 0.00 C ATOM 368 O ARG A 25 12.652 -10.053 3.297 1.00 0.00 O ATOM 369 CB ARG A 25 9.978 -10.559 3.766 1.00 0.00 C ATOM 370 CG ARG A 25 10.319 -12.037 3.949 1.00 0.00 C ATOM 371 CD ARG A 25 9.743 -12.606 5.240 1.00 0.00 C ATOM 372 NE ARG A 25 9.960 -14.051 5.344 1.00 0.00 N ATOM 373 CZ ARG A 25 9.357 -14.841 6.235 1.00 0.00 C ATOM 374 NH1 ARG A 25 8.422 -14.352 7.038 1.00 0.00 N ATOM 375 NH2 ARG A 25 9.675 -16.127 6.303 1.00 0.00 N ATOM 0 H ARG A 25 9.969 -8.033 3.528 1.00 0.00 H new ATOM 0 HA ARG A 25 10.573 -9.889 5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.910 -10.425 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.170 -10.284 2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.935 -12.604 3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.402 -12.161 3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.203 -12.107 6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.675 -12.395 5.285 1.00 0.00 H new ATOM 0 HE ARG A 25 10.615 -14.482 4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.161 -13.368 6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.964 -14.960 7.717 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.380 -16.512 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.214 -16.731 6.984 1.00 0.00 H new ATOM 389 N ASP A 26 13.053 -9.175 5.336 1.00 0.00 N ATOM 390 CA ASP A 26 14.509 -9.184 5.179 1.00 0.00 C ATOM 391 C ASP A 26 14.987 -10.605 4.904 1.00 0.00 C ATOM 392 O ASP A 26 15.168 -11.400 5.833 1.00 0.00 O ATOM 393 CB ASP A 26 15.204 -8.613 6.422 1.00 0.00 C ATOM 394 CG ASP A 26 16.716 -8.531 6.263 1.00 0.00 C ATOM 395 OD1 ASP A 26 17.189 -7.690 5.467 1.00 0.00 O ATOM 396 OD2 ASP A 26 17.439 -9.294 6.940 1.00 0.00 O ATOM 0 H ASP A 26 12.727 -8.783 6.219 1.00 0.00 H new ATOM 0 HA ASP A 26 14.770 -8.548 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.810 -7.618 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.967 -9.236 7.285 1.00 0.00 H new ATOM 401 N ASP A 27 15.133 -10.916 3.616 1.00 0.00 N ATOM 402 CA ASP A 27 15.457 -12.266 3.150 1.00 0.00 C ATOM 403 C ASP A 27 14.326 -13.230 3.516 1.00 0.00 C ATOM 404 O ASP A 27 13.529 -13.625 2.661 1.00 0.00 O ATOM 405 CB ASP A 27 16.797 -12.757 3.722 1.00 0.00 C ATOM 406 CG ASP A 27 17.183 -14.132 3.193 1.00 0.00 C ATOM 407 OD1 ASP A 27 16.765 -15.144 3.788 1.00 0.00 O ATOM 408 OD2 ASP A 27 17.907 -14.201 2.174 1.00 0.00 O ATOM 0 H ASP A 27 15.030 -10.236 2.863 1.00 0.00 H new ATOM 0 HA ASP A 27 15.560 -12.234 2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.580 -12.041 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.734 -12.793 4.810 1.00 0.00 H new ATOM 413 N SER A 28 14.254 -13.584 4.794 1.00 0.00 N ATOM 414 CA SER A 28 13.177 -14.413 5.314 1.00 0.00 C ATOM 415 C SER A 28 13.201 -14.377 6.841 1.00 0.00 C ATOM 416 O SER A 28 12.165 -14.196 7.486 1.00 0.00 O ATOM 417 CB SER A 28 13.300 -15.859 4.805 1.00 0.00 C ATOM 418 OG SER A 28 12.093 -16.583 5.004 1.00 0.00 O ATOM 0 H SER A 28 14.939 -13.305 5.496 1.00 0.00 H new ATOM 0 HA SER A 28 12.225 -14.018 4.959 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.552 -15.853 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.117 -16.361 5.324 1.00 0.00 H new ATOM 0 HG SER A 28 11.517 -16.481 4.218 1.00 0.00 H new ATOM 424 N SER A 29 14.402 -14.499 7.407 1.00 0.00 N ATOM 425 CA SER A 29 14.591 -14.510 8.857 1.00 0.00 C ATOM 426 C SER A 29 14.131 -13.192 9.495 1.00 0.00 C ATOM 427 O SER A 29 14.005 -13.096 10.719 1.00 0.00 O ATOM 428 CB SER A 29 16.067 -14.784 9.184 1.00 0.00 C ATOM 429 OG SER A 29 16.266 -15.009 10.571 1.00 0.00 O ATOM 0 H SER A 29 15.268 -14.593 6.876 1.00 0.00 H new ATOM 0 HA SER A 29 13.976 -15.306 9.277 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.409 -15.653 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.674 -13.938 8.862 1.00 0.00 H new ATOM 0 HG SER A 29 15.653 -14.444 11.085 1.00 0.00 H new ATOM 435 N GLY A 30 13.886 -12.177 8.661 1.00 0.00 N ATOM 436 CA GLY A 30 13.354 -10.913 9.149 1.00 0.00 C ATOM 437 C GLY A 30 11.979 -11.067 9.786 1.00 0.00 C ATOM 438 O GLY A 30 11.591 -10.272 10.642 1.00 0.00 O ATOM 0 H GLY A 30 14.048 -12.210 7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.044 -10.490 9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.291 -10.205 8.322 1.00 0.00 H new ATOM 442 N GLY A 31 11.240 -12.094 9.351 1.00 0.00 N ATOM 443 CA GLY A 31 9.926 -12.391 9.919 1.00 0.00 C ATOM 444 C GLY A 31 8.952 -11.226 9.838 1.00 0.00 C ATOM 445 O GLY A 31 8.044 -11.115 10.667 1.00 0.00 O ATOM 0 H GLY A 31 11.531 -12.730 8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.499 -13.248 9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.047 -12.681 10.963 1.00 0.00 H new ATOM 449 N TRP A 32 9.135 -10.377 8.825 1.00 0.00 N ATOM 450 CA TRP A 32 8.315 -9.174 8.626 1.00 0.00 C ATOM 451 C TRP A 32 8.486 -8.205 9.795 1.00 0.00 C ATOM 452 O TRP A 32 7.848 -8.352 10.839 1.00 0.00 O ATOM 453 CB TRP A 32 6.823 -9.516 8.437 1.00 0.00 C ATOM 454 CG TRP A 32 6.574 -10.536 7.368 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.382 -11.877 7.541 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.489 -10.294 5.963 1.00 0.00 C ATOM 457 NE1 TRP A 32 6.185 -12.483 6.326 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.243 -11.533 5.342 1.00 0.00 C ATOM 459 CE3 TRP A 32 6.592 -9.150 5.168 1.00 0.00 C ATOM 460 CZ2 TRP A 32 6.100 -11.660 3.965 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.451 -9.278 3.801 1.00 0.00 C ATOM 462 CH2 TRP A 32 6.207 -10.523 3.212 1.00 0.00 C ATOM 0 H TRP A 32 9.857 -10.502 8.116 1.00 0.00 H new ATOM 0 HA TRP A 32 8.665 -8.696 7.711 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.421 -9.885 9.381 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.278 -8.604 8.192 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.385 -12.385 8.494 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.022 -13.479 6.180 1.00 0.00 H new ATOM 0 HE3 TRP A 32 6.778 -8.184 5.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 5.912 -12.620 3.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.530 -8.401 3.175 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.101 -10.588 2.139 1.00 0.00 H new ATOM 473 N PHE A 33 9.364 -7.224 9.616 1.00 0.00 N ATOM 474 CA PHE A 33 9.629 -6.228 10.650 1.00 0.00 C ATOM 475 C PHE A 33 9.591 -4.825 10.044 1.00 0.00 C ATOM 476 O PHE A 33 9.878 -4.653 8.854 1.00 0.00 O ATOM 477 CB PHE A 33 10.993 -6.491 11.314 1.00 0.00 C ATOM 478 CG PHE A 33 12.188 -6.129 10.459 1.00 0.00 C ATOM 479 CD1 PHE A 33 12.419 -6.765 9.246 1.00 0.00 C ATOM 480 CD2 PHE A 33 13.082 -5.149 10.874 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.510 -6.431 8.471 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.176 -4.814 10.098 1.00 0.00 C ATOM 483 CZ PHE A 33 14.390 -5.456 8.897 1.00 0.00 C ATOM 0 H PHE A 33 9.906 -7.096 8.762 1.00 0.00 H new ATOM 0 HA PHE A 33 8.857 -6.302 11.415 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.044 -5.927 12.245 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.057 -7.547 11.577 1.00 0.00 H new ATOM 0 HD1 PHE A 33 11.737 -7.530 8.906 1.00 0.00 H new ATOM 0 HD2 PHE A 33 12.920 -4.643 11.814 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.676 -6.933 7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.862 -4.050 10.432 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.245 -5.197 8.290 1.00 0.00 H new ATOM 493 N PRO A 34 9.217 -3.808 10.844 1.00 0.00 N ATOM 494 CA PRO A 34 9.161 -2.422 10.380 1.00 0.00 C ATOM 495 C PRO A 34 10.547 -1.769 10.347 1.00 0.00 C ATOM 496 O PRO A 34 11.148 -1.504 11.393 1.00 0.00 O ATOM 497 CB PRO A 34 8.260 -1.747 11.418 1.00 0.00 C ATOM 498 CG PRO A 34 8.491 -2.517 12.677 1.00 0.00 C ATOM 499 CD PRO A 34 8.803 -3.935 12.260 1.00 0.00 C ATOM 0 HA PRO A 34 8.789 -2.337 9.359 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.519 -0.696 11.543 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.213 -1.784 11.118 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.316 -2.090 13.247 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.610 -2.486 13.318 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.596 -4.365 12.871 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.933 -4.583 12.365 1.00 0.00 H new ATOM 507 N GLN A 35 11.060 -1.534 9.145 1.00 0.00 N ATOM 508 CA GLN A 35 12.341 -0.856 8.980 1.00 0.00 C ATOM 509 C GLN A 35 12.172 0.643 9.238 1.00 0.00 C ATOM 510 O GLN A 35 11.302 1.285 8.643 1.00 0.00 O ATOM 511 CB GLN A 35 12.941 -1.106 7.576 1.00 0.00 C ATOM 512 CG GLN A 35 12.168 -0.479 6.410 1.00 0.00 C ATOM 513 CD GLN A 35 10.782 -1.073 6.220 1.00 0.00 C ATOM 514 OE1 GLN A 35 9.801 -0.511 6.903 1.00 0.00 O flip ATOM 515 NE2 GLN A 35 10.598 -2.032 5.476 1.00 0.00 N flip ATOM 0 H GLN A 35 10.609 -1.803 8.270 1.00 0.00 H new ATOM 0 HA GLN A 35 13.040 -1.267 9.708 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.961 -0.722 7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.003 -2.182 7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.076 0.594 6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.741 -0.609 5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.381 -2.439 4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.662 -2.422 5.369 1.00 0.00 H new ATOM 524 N GLU A 36 12.987 1.175 10.149 1.00 0.00 N ATOM 525 CA GLU A 36 12.944 2.587 10.534 1.00 0.00 C ATOM 526 C GLU A 36 11.619 2.937 11.223 1.00 0.00 C ATOM 527 O GLU A 36 11.569 3.087 12.449 1.00 0.00 O ATOM 528 CB GLU A 36 13.180 3.504 9.321 1.00 0.00 C ATOM 529 CG GLU A 36 13.273 4.989 9.670 1.00 0.00 C ATOM 530 CD GLU A 36 14.406 5.289 10.636 1.00 0.00 C ATOM 531 OE1 GLU A 36 15.571 5.348 10.193 1.00 0.00 O ATOM 532 OE2 GLU A 36 14.143 5.454 11.848 1.00 0.00 O ATOM 0 H GLU A 36 13.699 0.637 10.643 1.00 0.00 H new ATOM 0 HA GLU A 36 13.751 2.753 11.247 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.101 3.200 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.369 3.360 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.417 5.565 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.330 5.316 10.108 1.00 0.00 H new ATOM 539 N GLY A 37 10.552 3.047 10.437 1.00 0.00 N ATOM 540 CA GLY A 37 9.255 3.432 10.965 1.00 0.00 C ATOM 541 C GLY A 37 8.564 2.304 11.704 1.00 0.00 C ATOM 542 O GLY A 37 7.615 1.705 11.195 1.00 0.00 O ATOM 0 H GLY A 37 10.564 2.874 9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.379 4.280 11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.619 3.767 10.146 1.00 0.00 H new ATOM 546 N GLY A 38 9.044 2.010 12.906 1.00 0.00 N ATOM 547 CA GLY A 38 8.426 0.990 13.734 1.00 0.00 C ATOM 548 C GLY A 38 7.133 1.472 14.364 1.00 0.00 C ATOM 549 O GLY A 38 7.045 1.637 15.584 1.00 0.00 O ATOM 0 H GLY A 38 9.856 2.463 13.325 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.226 0.105 13.130 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.121 0.690 14.518 1.00 0.00 H new ATOM 553 N GLY A 39 6.128 1.710 13.528 1.00 0.00 N ATOM 554 CA GLY A 39 4.837 2.174 14.008 1.00 0.00 C ATOM 555 C GLY A 39 4.360 3.402 13.261 1.00 0.00 C ATOM 556 O GLY A 39 3.159 3.600 13.077 1.00 0.00 O ATOM 0 H GLY A 39 6.185 1.589 12.517 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.102 1.376 13.900 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.906 2.401 15.072 1.00 0.00 H new ATOM 560 N ILE A 40 5.306 4.234 12.830 1.00 0.00 N ATOM 561 CA ILE A 40 4.988 5.451 12.090 1.00 0.00 C ATOM 562 C ILE A 40 5.645 5.426 10.712 1.00 0.00 C ATOM 563 O ILE A 40 6.846 5.673 10.580 1.00 0.00 O ATOM 564 CB ILE A 40 5.445 6.725 12.850 1.00 0.00 C ATOM 565 CG1 ILE A 40 4.800 6.783 14.244 1.00 0.00 C ATOM 566 CG2 ILE A 40 5.104 7.984 12.046 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.255 7.962 15.084 1.00 0.00 C ATOM 0 H ILE A 40 6.304 4.085 12.982 1.00 0.00 H new ATOM 0 HA ILE A 40 3.904 5.485 11.982 1.00 0.00 H new ATOM 0 HB ILE A 40 6.527 6.680 12.974 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.717 6.827 14.131 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.028 5.860 14.777 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.432 8.866 12.595 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.610 7.948 11.081 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.027 8.034 11.889 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.756 7.933 16.052 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.334 7.910 15.230 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.003 8.891 14.573 1.00 0.00 H new ATOM 579 N SER A 41 4.860 5.098 9.697 1.00 0.00 N ATOM 580 CA SER A 41 5.320 5.117 8.316 1.00 0.00 C ATOM 581 C SER A 41 4.299 5.840 7.446 1.00 0.00 C ATOM 582 O SER A 41 3.109 5.857 7.763 1.00 0.00 O ATOM 583 CB SER A 41 5.520 3.686 7.803 1.00 0.00 C ATOM 584 OG SER A 41 6.347 2.936 8.675 1.00 0.00 O ATOM 0 H SER A 41 3.887 4.811 9.807 1.00 0.00 H new ATOM 0 HA SER A 41 6.274 5.643 8.268 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.552 3.194 7.704 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.967 3.713 6.809 1.00 0.00 H new ATOM 0 HG SER A 41 7.273 3.247 8.595 1.00 0.00 H new ATOM 590 N ARG A 42 4.760 6.453 6.365 1.00 0.00 N ATOM 591 CA ARG A 42 3.863 7.080 5.405 1.00 0.00 C ATOM 592 C ARG A 42 3.944 6.325 4.082 1.00 0.00 C ATOM 593 O ARG A 42 5.003 6.267 3.458 1.00 0.00 O ATOM 594 CB ARG A 42 4.235 8.553 5.209 1.00 0.00 C ATOM 595 CG ARG A 42 3.135 9.393 4.572 1.00 0.00 C ATOM 596 CD ARG A 42 1.983 9.624 5.542 1.00 0.00 C ATOM 597 NE ARG A 42 0.876 10.352 4.923 1.00 0.00 N ATOM 598 CZ ARG A 42 0.207 11.343 5.509 1.00 0.00 C ATOM 599 NH1 ARG A 42 0.573 11.783 6.707 1.00 0.00 N ATOM 600 NH2 ARG A 42 -0.816 11.905 4.889 1.00 0.00 N ATOM 0 H ARG A 42 5.750 6.529 6.131 1.00 0.00 H new ATOM 0 HA ARG A 42 2.841 7.040 5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.492 8.984 6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.128 8.611 4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.544 10.352 4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.765 8.893 3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.623 8.664 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.344 10.182 6.406 1.00 0.00 H new ATOM 0 HE ARG A 42 0.598 10.083 3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.370 11.362 7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.057 12.542 7.151 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.092 11.580 3.963 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.329 12.664 5.337 1.00 0.00 H new ATOM 614 N VAL A 43 2.836 5.717 3.678 1.00 0.00 N ATOM 615 CA VAL A 43 2.793 4.927 2.452 1.00 0.00 C ATOM 616 C VAL A 43 2.277 5.775 1.295 1.00 0.00 C ATOM 617 O VAL A 43 1.079 6.043 1.206 1.00 0.00 O ATOM 618 CB VAL A 43 1.889 3.679 2.613 1.00 0.00 C ATOM 619 CG1 VAL A 43 1.991 2.774 1.385 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.241 2.918 3.889 1.00 0.00 C ATOM 0 H VAL A 43 1.951 5.756 4.183 1.00 0.00 H new ATOM 0 HA VAL A 43 3.809 4.594 2.241 1.00 0.00 H new ATOM 0 HB VAL A 43 0.855 4.013 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.348 1.904 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.675 3.325 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.023 2.447 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.594 2.046 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.281 2.596 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.099 3.569 4.752 1.00 0.00 H new ATOM 630 N GLY A 44 3.190 6.215 0.433 1.00 0.00 N ATOM 631 CA GLY A 44 2.819 7.026 -0.709 1.00 0.00 C ATOM 632 C GLY A 44 2.884 6.255 -2.014 1.00 0.00 C ATOM 633 O GLY A 44 3.922 6.227 -2.676 1.00 0.00 O ATOM 0 H GLY A 44 4.188 6.021 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.808 7.408 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.481 7.890 -0.768 1.00 0.00 H new ATOM 637 N VAL A 45 1.780 5.617 -2.383 1.00 0.00 N ATOM 638 CA VAL A 45 1.701 4.896 -3.648 1.00 0.00 C ATOM 639 C VAL A 45 1.325 5.855 -4.775 1.00 0.00 C ATOM 640 O VAL A 45 0.276 6.507 -4.729 1.00 0.00 O ATOM 641 CB VAL A 45 0.676 3.735 -3.586 1.00 0.00 C ATOM 642 CG1 VAL A 45 0.559 3.029 -4.940 1.00 0.00 C ATOM 643 CG2 VAL A 45 1.064 2.743 -2.489 1.00 0.00 C ATOM 0 H VAL A 45 0.927 5.584 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 45 2.683 4.466 -3.843 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.301 4.155 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.167 2.219 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.231 3.743 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.530 2.622 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.335 1.933 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.052 2.334 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.082 3.254 -1.526 1.00 0.00 H new ATOM 653 N CYS A 46 2.193 5.949 -5.774 1.00 0.00 N ATOM 654 CA CYS A 46 1.980 6.846 -6.904 1.00 0.00 C ATOM 655 C CYS A 46 1.867 6.061 -8.210 1.00 0.00 C ATOM 656 O CYS A 46 2.222 4.881 -8.272 1.00 0.00 O ATOM 657 CB CYS A 46 3.123 7.863 -6.992 1.00 0.00 C ATOM 658 SG CYS A 46 2.913 9.078 -8.307 1.00 0.00 S ATOM 0 H CYS A 46 3.058 5.411 -5.825 1.00 0.00 H new ATOM 0 HA CYS A 46 1.042 7.379 -6.747 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.208 8.384 -6.038 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.061 7.330 -7.149 1.00 0.00 H new ATOM 0 HG CYS A 46 3.922 9.897 -8.306 1.00 0.00 H new ATOM 664 N LYS A 47 1.373 6.732 -9.248 1.00 0.00 N ATOM 665 CA LYS A 47 1.190 6.133 -10.568 1.00 0.00 C ATOM 666 C LYS A 47 2.046 6.883 -11.588 1.00 0.00 C ATOM 667 O LYS A 47 1.828 8.073 -11.831 1.00 0.00 O ATOM 668 CB LYS A 47 -0.291 6.198 -10.970 1.00 0.00 C ATOM 669 CG LYS A 47 -0.612 5.566 -12.326 1.00 0.00 C ATOM 670 CD LYS A 47 -2.056 5.847 -12.739 1.00 0.00 C ATOM 671 CE LYS A 47 -2.359 5.358 -14.152 1.00 0.00 C ATOM 672 NZ LYS A 47 -3.737 5.720 -14.579 1.00 0.00 N ATOM 0 H LYS A 47 1.087 7.710 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 47 1.499 5.088 -10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.884 5.701 -10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.604 7.242 -10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.068 5.957 -13.083 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.448 4.490 -12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.734 5.362 -12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.247 6.918 -12.679 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.638 5.788 -14.848 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.238 4.276 -14.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.905 5.370 -15.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.426 5.289 -13.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.845 6.754 -14.562 1.00 0.00 H new ATOM 686 N VAL A 48 3.017 6.192 -12.171 1.00 0.00 N ATOM 687 CA VAL A 48 3.963 6.823 -13.088 1.00 0.00 C ATOM 688 C VAL A 48 3.743 6.350 -14.524 1.00 0.00 C ATOM 689 O VAL A 48 3.278 5.230 -14.763 1.00 0.00 O ATOM 690 CB VAL A 48 5.431 6.540 -12.669 1.00 0.00 C ATOM 691 CG1 VAL A 48 5.724 7.135 -11.290 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.724 5.041 -12.688 1.00 0.00 C ATOM 0 H VAL A 48 3.172 5.194 -12.026 1.00 0.00 H new ATOM 0 HA VAL A 48 3.784 7.897 -13.039 1.00 0.00 H new ATOM 0 HB VAL A 48 6.089 7.020 -13.393 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.758 6.925 -11.015 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.568 8.213 -11.318 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.056 6.691 -10.553 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.758 4.869 -12.391 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.057 4.531 -11.993 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.566 4.652 -13.694 1.00 0.00 H new ATOM 702 N MET A 49 4.071 7.217 -15.475 1.00 0.00 N ATOM 703 CA MET A 49 3.952 6.900 -16.895 1.00 0.00 C ATOM 704 C MET A 49 5.278 6.358 -17.434 1.00 0.00 C ATOM 705 O MET A 49 6.212 6.094 -16.670 1.00 0.00 O ATOM 706 CB MET A 49 3.515 8.141 -17.693 1.00 0.00 C ATOM 707 CG MET A 49 2.050 8.524 -17.498 1.00 0.00 C ATOM 708 SD MET A 49 1.669 9.056 -15.815 1.00 0.00 S ATOM 709 CE MET A 49 2.657 10.547 -15.694 1.00 0.00 C ATOM 0 H MET A 49 4.425 8.155 -15.286 1.00 0.00 H new ATOM 0 HA MET A 49 3.189 6.130 -17.012 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.141 8.985 -17.404 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.694 7.960 -18.753 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.796 9.326 -18.191 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.421 7.671 -17.753 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.064 11.340 -15.239 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.536 10.352 -15.079 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.973 10.856 -16.690 1.00 0.00 H new ATOM 828 N GLY A 58 2.822 2.253 -14.936 1.00 0.00 N ATOM 829 CA GLY A 58 3.687 1.861 -13.841 1.00 0.00 C ATOM 830 C GLY A 58 3.267 2.496 -12.534 1.00 0.00 C ATOM 831 O GLY A 58 2.532 3.487 -12.524 1.00 0.00 O ATOM 0 HA2 GLY A 58 3.673 0.776 -13.738 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.714 2.146 -14.070 1.00 0.00 H new ATOM 835 N PHE A 59 3.726 1.929 -11.428 1.00 0.00 N ATOM 836 CA PHE A 59 3.423 2.458 -10.104 1.00 0.00 C ATOM 837 C PHE A 59 4.697 2.530 -9.271 1.00 0.00 C ATOM 838 O PHE A 59 5.679 1.839 -9.557 1.00 0.00 O ATOM 839 CB PHE A 59 2.361 1.593 -9.403 1.00 0.00 C ATOM 840 CG PHE A 59 1.001 1.664 -10.058 1.00 0.00 C ATOM 841 CD1 PHE A 59 0.667 0.811 -11.103 1.00 0.00 C ATOM 842 CD2 PHE A 59 0.061 2.593 -9.636 1.00 0.00 C ATOM 843 CE1 PHE A 59 -0.572 0.888 -11.711 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.178 2.674 -10.243 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.495 1.821 -11.281 1.00 0.00 C ATOM 0 H PHE A 59 4.314 1.096 -11.421 1.00 0.00 H new ATOM 0 HA PHE A 59 3.018 3.464 -10.212 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.697 0.556 -9.392 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.273 1.910 -8.364 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.384 0.079 -11.444 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.301 3.262 -8.822 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.818 0.219 -12.522 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.898 3.405 -9.905 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.463 1.883 -11.756 1.00 0.00 H new ATOM 855 N LEU A 60 4.684 3.375 -8.252 1.00 0.00 N ATOM 856 CA LEU A 60 5.839 3.544 -7.379 1.00 0.00 C ATOM 857 C LEU A 60 5.383 3.487 -5.926 1.00 0.00 C ATOM 858 O LEU A 60 4.633 4.354 -5.467 1.00 0.00 O ATOM 859 CB LEU A 60 6.545 4.888 -7.677 1.00 0.00 C ATOM 860 CG LEU A 60 8.059 4.957 -7.363 1.00 0.00 C ATOM 861 CD1 LEU A 60 8.616 6.334 -7.713 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.350 4.621 -5.901 1.00 0.00 C ATOM 0 H LEU A 60 3.883 3.958 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 60 6.553 2.740 -7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.405 5.120 -8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.043 5.671 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 60 8.556 4.208 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.682 6.364 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.466 6.528 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.099 7.095 -7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.423 4.680 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.834 5.331 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.001 3.612 -5.683 1.00 0.00 H new ATOM 874 N ILE A 61 5.812 2.449 -5.218 1.00 0.00 N ATOM 875 CA ILE A 61 5.549 2.327 -3.792 1.00 0.00 C ATOM 876 C ILE A 61 6.581 3.152 -3.032 1.00 0.00 C ATOM 877 O ILE A 61 7.716 2.711 -2.829 1.00 0.00 O ATOM 878 CB ILE A 61 5.600 0.849 -3.329 1.00 0.00 C ATOM 879 CG1 ILE A 61 4.649 -0.006 -4.188 1.00 0.00 C ATOM 880 CG2 ILE A 61 5.247 0.734 -1.845 1.00 0.00 C ATOM 881 CD1 ILE A 61 4.709 -1.488 -3.884 1.00 0.00 C ATOM 0 H ILE A 61 6.347 1.676 -5.613 1.00 0.00 H new ATOM 0 HA ILE A 61 4.545 2.698 -3.586 1.00 0.00 H new ATOM 0 HB ILE A 61 6.616 0.476 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.628 0.344 -4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.888 0.149 -5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.289 -0.312 -1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.959 1.312 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.241 1.120 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.011 -2.020 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.720 -1.855 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.439 -1.657 -2.841 1.00 0.00 H new ATOM 893 N HIS A 62 6.200 4.370 -2.661 1.00 0.00 N ATOM 894 CA HIS A 62 7.128 5.330 -2.072 1.00 0.00 C ATOM 895 C HIS A 62 6.795 5.571 -0.596 1.00 0.00 C ATOM 896 O HIS A 62 5.966 6.418 -0.263 1.00 0.00 O ATOM 897 CB HIS A 62 7.072 6.643 -2.869 1.00 0.00 C ATOM 898 CG HIS A 62 8.235 7.559 -2.639 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.191 8.675 -1.835 1.00 0.00 N ATOM 900 CD2 HIS A 62 9.490 7.519 -3.155 1.00 0.00 C ATOM 901 CE1 HIS A 62 9.390 9.268 -1.890 1.00 0.00 C ATOM 902 NE2 HIS A 62 10.214 8.606 -2.677 1.00 0.00 N ATOM 0 H HIS A 62 5.246 4.718 -2.759 1.00 0.00 H new ATOM 0 HA HIS A 62 8.140 4.928 -2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.017 6.406 -3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.154 7.171 -2.612 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.866 6.764 -3.829 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.648 10.172 -1.358 1.00 0.00 H new ATOM 0 HE2 HIS A 62 11.183 8.842 -2.891 1.00 0.00 H new ATOM 910 N GLY A 63 7.425 4.789 0.275 1.00 0.00 N ATOM 911 CA GLY A 63 7.237 4.940 1.709 1.00 0.00 C ATOM 912 C GLY A 63 8.238 5.913 2.305 1.00 0.00 C ATOM 913 O GLY A 63 9.445 5.645 2.305 1.00 0.00 O ATOM 0 H GLY A 63 8.070 4.045 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.225 5.291 1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.339 3.969 2.194 1.00 0.00 H new ATOM 917 N GLU A 64 7.746 7.037 2.814 1.00 0.00 N ATOM 918 CA GLU A 64 8.605 8.111 3.308 1.00 0.00 C ATOM 919 C GLU A 64 8.004 8.788 4.545 1.00 0.00 C ATOM 920 O GLU A 64 7.184 8.192 5.249 1.00 0.00 O ATOM 921 CB GLU A 64 8.845 9.133 2.174 1.00 0.00 C ATOM 922 CG GLU A 64 7.694 9.256 1.171 1.00 0.00 C ATOM 923 CD GLU A 64 6.414 9.846 1.748 1.00 0.00 C ATOM 924 OE1 GLU A 64 5.624 9.095 2.349 1.00 0.00 O ATOM 925 OE2 GLU A 64 6.185 11.063 1.578 1.00 0.00 O ATOM 0 H GLU A 64 6.748 7.230 2.896 1.00 0.00 H new ATOM 0 HA GLU A 64 9.560 7.685 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.029 10.111 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.750 8.852 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.021 9.876 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.474 8.268 0.767 1.00 0.00 H new ATOM 932 N ARG A 65 8.488 10.003 4.837 1.00 0.00 N ATOM 933 CA ARG A 65 7.888 10.875 5.860 1.00 0.00 C ATOM 934 C ARG A 65 7.975 10.279 7.270 1.00 0.00 C ATOM 935 O ARG A 65 7.108 10.526 8.107 1.00 0.00 O ATOM 936 CB ARG A 65 6.419 11.179 5.499 1.00 0.00 C ATOM 937 CG ARG A 65 6.220 12.390 4.585 1.00 0.00 C ATOM 938 CD ARG A 65 5.896 13.660 5.375 1.00 0.00 C ATOM 939 NE ARG A 65 7.004 14.103 6.228 1.00 0.00 N ATOM 940 CZ ARG A 65 7.054 13.936 7.554 1.00 0.00 C ATOM 941 NH1 ARG A 65 6.077 13.294 8.189 1.00 0.00 N ATOM 942 NH2 ARG A 65 8.076 14.423 8.244 1.00 0.00 N ATOM 0 H ARG A 65 9.302 10.409 4.375 1.00 0.00 H new ATOM 0 HA ARG A 65 8.464 11.800 5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.990 10.302 5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.859 11.341 6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.122 12.551 3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.412 12.185 3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.639 14.458 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.017 13.482 5.994 1.00 0.00 H new ATOM 0 HE ARG A 65 7.791 14.571 5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.284 12.926 7.664 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.121 13.170 9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.823 14.924 7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.115 14.296 9.255 1.00 0.00 H new ATOM 956 N GLN A 66 9.031 9.519 7.544 1.00 0.00 N ATOM 957 CA GLN A 66 9.231 8.971 8.886 1.00 0.00 C ATOM 958 C GLN A 66 9.658 10.075 9.858 1.00 0.00 C ATOM 959 O GLN A 66 8.906 10.442 10.761 1.00 0.00 O ATOM 960 CB GLN A 66 10.256 7.821 8.869 1.00 0.00 C ATOM 961 CG GLN A 66 9.656 6.449 9.185 1.00 0.00 C ATOM 962 CD GLN A 66 8.870 5.816 8.034 1.00 0.00 C ATOM 963 OE1 GLN A 66 8.809 4.593 7.927 1.00 0.00 O ATOM 964 NE2 GLN A 66 8.260 6.618 7.172 1.00 0.00 N ATOM 0 H GLN A 66 9.753 9.270 6.868 1.00 0.00 H new ATOM 0 HA GLN A 66 8.282 8.561 9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.728 7.783 7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.042 8.038 9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.461 5.773 9.473 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.997 6.545 10.048 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.326 7.630 7.282 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.725 6.223 6.399 1.00 0.00 H new ATOM 973 N LYS A 67 10.859 10.609 9.659 1.00 0.00 N ATOM 974 CA LYS A 67 11.375 11.695 10.493 1.00 0.00 C ATOM 975 C LYS A 67 11.951 12.793 9.605 1.00 0.00 C ATOM 976 O LYS A 67 12.742 12.506 8.703 1.00 0.00 O ATOM 977 CB LYS A 67 12.446 11.168 11.461 1.00 0.00 C ATOM 978 CG LYS A 67 12.966 12.224 12.432 1.00 0.00 C ATOM 979 CD LYS A 67 14.007 11.653 13.392 1.00 0.00 C ATOM 980 CE LYS A 67 14.502 12.706 14.378 1.00 0.00 C ATOM 981 NZ LYS A 67 15.190 13.836 13.693 1.00 0.00 N ATOM 0 H LYS A 67 11.498 10.307 8.924 1.00 0.00 H new ATOM 0 HA LYS A 67 10.558 12.108 11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.031 10.336 12.030 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.283 10.774 10.884 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.404 13.049 11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.133 12.634 13.002 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.576 10.815 13.940 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.851 11.262 12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.658 13.090 14.951 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.186 12.243 15.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.480 14.544 14.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.030 13.480 13.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.541 14.274 13.009 1.00 0.00 H new ATOM 995 N ASP A 68 11.539 14.039 9.860 1.00 0.00 N ATOM 996 CA ASP A 68 11.917 15.188 9.027 1.00 0.00 C ATOM 997 C ASP A 68 11.431 14.959 7.597 1.00 0.00 C ATOM 998 O ASP A 68 10.379 15.464 7.204 1.00 0.00 O ATOM 999 CB ASP A 68 13.439 15.441 9.060 1.00 0.00 C ATOM 1000 CG ASP A 68 13.954 15.770 10.457 1.00 0.00 C ATOM 1001 OD1 ASP A 68 13.847 16.941 10.880 1.00 0.00 O ATOM 1002 OD2 ASP A 68 14.470 14.859 11.140 1.00 0.00 O ATOM 0 H ASP A 68 10.936 14.280 10.647 1.00 0.00 H new ATOM 0 HA ASP A 68 11.440 16.081 9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.957 14.558 8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.681 16.263 8.386 1.00 0.00 H new ATOM 1007 N LYS A 69 12.196 14.177 6.837 1.00 0.00 N ATOM 1008 CA LYS A 69 11.773 13.668 5.536 1.00 0.00 C ATOM 1009 C LYS A 69 12.867 12.781 4.948 1.00 0.00 C ATOM 1010 O LYS A 69 14.037 13.165 4.900 1.00 0.00 O ATOM 1011 CB LYS A 69 11.402 14.788 4.542 1.00 0.00 C ATOM 1012 CG LYS A 69 12.546 15.724 4.167 1.00 0.00 C ATOM 1013 CD LYS A 69 12.148 16.643 3.015 1.00 0.00 C ATOM 1014 CE LYS A 69 13.238 17.653 2.687 1.00 0.00 C ATOM 1015 NZ LYS A 69 13.470 18.605 3.806 1.00 0.00 N ATOM 0 H LYS A 69 13.132 13.878 7.109 1.00 0.00 H new ATOM 0 HA LYS A 69 10.867 13.084 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.014 14.331 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.594 15.380 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.829 16.323 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.421 15.139 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.932 16.043 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.230 17.171 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.165 17.126 2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.961 18.208 1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.050 19.400 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.557 18.964 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.965 18.117 4.580 1.00 0.00 H new ATOM 1029 N LEU A 70 12.470 11.580 4.544 1.00 0.00 N ATOM 1030 CA LEU A 70 13.367 10.620 3.912 1.00 0.00 C ATOM 1031 C LEU A 70 12.558 9.410 3.454 1.00 0.00 C ATOM 1032 O LEU A 70 11.453 9.171 3.963 1.00 0.00 O ATOM 1033 CB LEU A 70 14.536 10.211 4.854 1.00 0.00 C ATOM 1034 CG LEU A 70 14.217 9.343 6.103 1.00 0.00 C ATOM 1035 CD1 LEU A 70 12.969 9.824 6.839 1.00 0.00 C ATOM 1036 CD2 LEU A 70 14.107 7.862 5.742 1.00 0.00 C ATOM 0 H LEU A 70 11.513 11.243 4.646 1.00 0.00 H new ATOM 0 HA LEU A 70 13.831 11.087 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.270 9.672 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.017 11.126 5.201 1.00 0.00 H new ATOM 0 HG LEU A 70 15.057 9.460 6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.788 9.186 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.116 10.852 7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.111 9.778 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.883 7.285 6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.309 7.724 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.050 7.520 5.316 1.00 0.00 H new ATOM 1048 N VAL A 71 13.093 8.668 2.488 1.00 0.00 N ATOM 1049 CA VAL A 71 12.416 7.491 1.947 1.00 0.00 C ATOM 1050 C VAL A 71 12.912 6.227 2.648 1.00 0.00 C ATOM 1051 O VAL A 71 14.094 5.890 2.574 1.00 0.00 O ATOM 1052 CB VAL A 71 12.654 7.357 0.420 1.00 0.00 C ATOM 1053 CG1 VAL A 71 11.809 6.225 -0.166 1.00 0.00 C ATOM 1054 CG2 VAL A 71 12.367 8.679 -0.285 1.00 0.00 C ATOM 0 H VAL A 71 13.999 8.862 2.061 1.00 0.00 H new ATOM 0 HA VAL A 71 11.347 7.614 2.124 1.00 0.00 H new ATOM 0 HB VAL A 71 13.702 7.107 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.993 6.151 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 71 12.078 5.284 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.753 6.432 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.539 8.566 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.329 8.965 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.027 9.452 0.109 1.00 0.00 H new ATOM 1064 N VAL A 72 12.013 5.533 3.336 1.00 0.00 N ATOM 1065 CA VAL A 72 12.374 4.316 4.065 1.00 0.00 C ATOM 1066 C VAL A 72 12.166 3.078 3.201 1.00 0.00 C ATOM 1067 O VAL A 72 12.807 2.046 3.410 1.00 0.00 O ATOM 1068 CB VAL A 72 11.553 4.164 5.370 1.00 0.00 C ATOM 1069 CG1 VAL A 72 11.803 5.345 6.301 1.00 0.00 C ATOM 1070 CG2 VAL A 72 10.062 4.014 5.065 1.00 0.00 C ATOM 0 H VAL A 72 11.028 5.789 3.406 1.00 0.00 H new ATOM 0 HA VAL A 72 13.429 4.407 4.322 1.00 0.00 H new ATOM 0 HB VAL A 72 11.882 3.256 5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.218 5.220 7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.862 5.391 6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.508 6.269 5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.509 3.909 5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.709 4.896 4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.904 3.129 4.448 1.00 0.00 H new ATOM 1080 N LEU A 73 11.273 3.188 2.225 1.00 0.00 N ATOM 1081 CA LEU A 73 10.918 2.059 1.375 1.00 0.00 C ATOM 1082 C LEU A 73 10.618 2.556 -0.039 1.00 0.00 C ATOM 1083 O LEU A 73 9.614 3.229 -0.267 1.00 0.00 O ATOM 1084 CB LEU A 73 9.708 1.320 1.987 1.00 0.00 C ATOM 1085 CG LEU A 73 9.364 -0.072 1.404 1.00 0.00 C ATOM 1086 CD1 LEU A 73 8.666 0.039 0.048 1.00 0.00 C ATOM 1087 CD2 LEU A 73 10.622 -0.937 1.295 1.00 0.00 C ATOM 0 H LEU A 73 10.779 4.052 2.002 1.00 0.00 H new ATOM 0 HA LEU A 73 11.750 1.357 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.888 1.204 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.831 1.958 1.878 1.00 0.00 H new ATOM 0 HG LEU A 73 8.669 -0.553 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.441 -0.959 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.739 0.602 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.319 0.554 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.359 -1.911 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.344 -0.449 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.061 -1.068 2.284 1.00 0.00 H new ATOM 1099 N GLU A 74 11.507 2.246 -0.973 1.00 0.00 N ATOM 1100 CA GLU A 74 11.334 2.634 -2.371 1.00 0.00 C ATOM 1101 C GLU A 74 11.215 1.386 -3.238 1.00 0.00 C ATOM 1102 O GLU A 74 12.148 0.580 -3.313 1.00 0.00 O ATOM 1103 CB GLU A 74 12.515 3.520 -2.818 1.00 0.00 C ATOM 1104 CG GLU A 74 12.448 4.007 -4.271 1.00 0.00 C ATOM 1105 CD GLU A 74 13.021 3.011 -5.273 1.00 0.00 C ATOM 1106 OE1 GLU A 74 14.256 2.814 -5.278 1.00 0.00 O ATOM 1107 OE2 GLU A 74 12.246 2.416 -6.055 1.00 0.00 O ATOM 0 H GLU A 74 12.363 1.723 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 74 10.418 3.214 -2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.566 4.389 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.441 2.961 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.409 4.213 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.991 4.949 -4.356 1.00 0.00 H new ATOM 1114 N CYS A 75 10.060 1.218 -3.874 1.00 0.00 N ATOM 1115 CA CYS A 75 9.820 0.075 -4.743 1.00 0.00 C ATOM 1116 C CYS A 75 9.103 0.513 -6.018 1.00 0.00 C ATOM 1117 O CYS A 75 7.871 0.590 -6.064 1.00 0.00 O ATOM 1118 CB CYS A 75 9.007 -0.996 -4.008 1.00 0.00 C ATOM 1119 SG CYS A 75 9.774 -1.571 -2.475 1.00 0.00 S ATOM 0 H CYS A 75 9.273 1.863 -3.802 1.00 0.00 H new ATOM 0 HA CYS A 75 10.782 -0.355 -5.021 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.019 -0.596 -3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.862 -1.848 -4.672 1.00 0.00 H new ATOM 0 HG CYS A 75 9.822 -2.870 -2.475 1.00 0.00 H new ATOM 1125 N TYR A 76 9.889 0.844 -7.037 1.00 0.00 N ATOM 1126 CA TYR A 76 9.353 1.156 -8.352 1.00 0.00 C ATOM 1127 C TYR A 76 8.830 -0.126 -8.997 1.00 0.00 C ATOM 1128 O TYR A 76 9.612 -0.975 -9.436 1.00 0.00 O ATOM 1129 CB TYR A 76 10.443 1.805 -9.227 1.00 0.00 C ATOM 1130 CG TYR A 76 9.949 2.306 -10.575 1.00 0.00 C ATOM 1131 CD1 TYR A 76 9.951 1.479 -11.698 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.489 3.609 -10.728 1.00 0.00 C ATOM 1133 CE1 TYR A 76 9.506 1.936 -12.923 1.00 0.00 C ATOM 1134 CE2 TYR A 76 9.042 4.073 -11.951 1.00 0.00 C ATOM 1135 CZ TYR A 76 9.055 3.234 -13.045 1.00 0.00 C ATOM 1136 OH TYR A 76 8.607 3.692 -14.266 1.00 0.00 O ATOM 0 H TYR A 76 10.905 0.903 -6.974 1.00 0.00 H new ATOM 0 HA TYR A 76 8.531 1.865 -8.256 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.881 2.640 -8.681 1.00 0.00 H new ATOM 0 HB3 TYR A 76 11.239 1.079 -9.392 1.00 0.00 H new ATOM 0 HD1 TYR A 76 10.307 0.463 -11.608 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.481 4.271 -9.875 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.511 1.280 -13.781 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.684 5.087 -12.049 1.00 0.00 H new ATOM 0 HH TYR A 76 8.323 4.626 -14.181 1.00 0.00 H new ATOM 1146 N VAL A 77 7.512 -0.278 -9.038 1.00 0.00 N ATOM 1147 CA VAL A 77 6.895 -1.503 -9.524 1.00 0.00 C ATOM 1148 C VAL A 77 6.345 -1.298 -10.932 1.00 0.00 C ATOM 1149 O VAL A 77 5.258 -0.751 -11.132 1.00 0.00 O ATOM 1150 CB VAL A 77 5.789 -2.011 -8.559 1.00 0.00 C ATOM 1151 CG1 VAL A 77 6.413 -2.533 -7.266 1.00 0.00 C ATOM 1152 CG2 VAL A 77 4.774 -0.911 -8.247 1.00 0.00 C ATOM 0 H VAL A 77 6.848 0.436 -8.739 1.00 0.00 H new ATOM 0 HA VAL A 77 7.665 -2.274 -9.562 1.00 0.00 H new ATOM 0 HB VAL A 77 5.261 -2.826 -9.055 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.626 -2.886 -6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.090 -3.356 -7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.968 -1.731 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.014 -1.299 -7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.283 -0.069 -7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.301 -0.580 -9.171 1.00 0.00 H new ATOM 1162 N ARG A 78 7.133 -1.715 -11.917 1.00 0.00 N ATOM 1163 CA ARG A 78 6.774 -1.535 -13.314 1.00 0.00 C ATOM 1164 C ARG A 78 5.835 -2.654 -13.772 1.00 0.00 C ATOM 1165 O ARG A 78 6.271 -3.651 -14.353 1.00 0.00 O ATOM 1166 CB ARG A 78 8.040 -1.468 -14.192 1.00 0.00 C ATOM 1167 CG ARG A 78 8.972 -2.670 -14.037 1.00 0.00 C ATOM 1168 CD ARG A 78 10.229 -2.536 -14.888 1.00 0.00 C ATOM 1169 NE ARG A 78 11.062 -3.738 -14.814 1.00 0.00 N ATOM 1170 CZ ARG A 78 12.367 -3.775 -15.088 1.00 0.00 C ATOM 1171 NH1 ARG A 78 13.021 -2.668 -15.427 1.00 0.00 N ATOM 1172 NH2 ARG A 78 13.021 -4.927 -15.017 1.00 0.00 N ATOM 0 H ARG A 78 8.028 -2.182 -11.770 1.00 0.00 H new ATOM 0 HA ARG A 78 6.244 -0.589 -13.422 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.740 -1.387 -15.237 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.591 -0.560 -13.947 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.254 -2.777 -12.989 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.440 -3.579 -14.318 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.949 -2.350 -15.925 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.805 -1.673 -14.554 1.00 0.00 H new ATOM 0 HE ARG A 78 10.612 -4.609 -14.533 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.525 -1.778 -15.480 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.019 -2.708 -15.634 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.526 -5.779 -14.754 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.019 -4.961 -15.226 1.00 0.00 H new ATOM 1186 N LYS A 79 4.551 -2.503 -13.435 1.00 0.00 N ATOM 1187 CA LYS A 79 3.496 -3.449 -13.828 1.00 0.00 C ATOM 1188 C LYS A 79 3.555 -4.727 -12.973 1.00 0.00 C ATOM 1189 O LYS A 79 2.520 -5.288 -12.605 1.00 0.00 O ATOM 1190 CB LYS A 79 3.594 -3.775 -15.341 1.00 0.00 C ATOM 1191 CG LYS A 79 2.304 -4.307 -15.986 1.00 0.00 C ATOM 1192 CD LYS A 79 1.972 -5.738 -15.567 1.00 0.00 C ATOM 1193 CE LYS A 79 0.696 -6.246 -16.233 1.00 0.00 C ATOM 1194 NZ LYS A 79 0.326 -7.605 -15.754 1.00 0.00 N ATOM 0 H LYS A 79 4.210 -1.719 -12.879 1.00 0.00 H new ATOM 0 HA LYS A 79 2.529 -2.980 -13.648 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.899 -2.873 -15.871 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.383 -4.512 -15.486 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.474 -3.654 -15.717 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.403 -4.266 -17.071 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.803 -6.394 -15.827 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.858 -5.782 -14.484 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.121 -5.554 -16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.834 -6.267 -17.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.545 -7.915 -16.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.095 -8.271 -15.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.170 -7.580 -14.726 1.00 0.00 H new ATOM 1208 N ASP A 80 4.767 -5.175 -12.651 1.00 0.00 N ATOM 1209 CA ASP A 80 4.968 -6.383 -11.855 1.00 0.00 C ATOM 1210 C ASP A 80 4.505 -6.165 -10.416 1.00 0.00 C ATOM 1211 O ASP A 80 5.142 -5.432 -9.656 1.00 0.00 O ATOM 1212 CB ASP A 80 6.448 -6.789 -11.877 1.00 0.00 C ATOM 1213 CG ASP A 80 6.697 -8.126 -11.193 1.00 0.00 C ATOM 1214 OD1 ASP A 80 6.468 -9.174 -11.835 1.00 0.00 O ATOM 1215 OD2 ASP A 80 7.128 -8.142 -10.020 1.00 0.00 O ATOM 0 H ASP A 80 5.632 -4.714 -12.933 1.00 0.00 H new ATOM 0 HA ASP A 80 4.372 -7.185 -12.291 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.791 -6.844 -12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.040 -6.017 -11.385 1.00 0.00 H new ATOM 1220 N LEU A 81 3.387 -6.791 -10.059 1.00 0.00 N ATOM 1221 CA LEU A 81 2.823 -6.687 -8.712 1.00 0.00 C ATOM 1222 C LEU A 81 2.029 -7.936 -8.360 1.00 0.00 C ATOM 1223 O LEU A 81 1.660 -8.724 -9.231 1.00 0.00 O ATOM 1224 CB LEU A 81 1.920 -5.445 -8.579 1.00 0.00 C ATOM 1225 CG LEU A 81 2.625 -4.159 -8.120 1.00 0.00 C ATOM 1226 CD1 LEU A 81 1.640 -2.994 -8.060 1.00 0.00 C ATOM 1227 CD2 LEU A 81 3.292 -4.383 -6.762 1.00 0.00 C ATOM 0 H LEU A 81 2.847 -7.383 -10.690 1.00 0.00 H new ATOM 0 HA LEU A 81 3.657 -6.587 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.449 -5.255 -9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.121 -5.672 -7.873 1.00 0.00 H new ATOM 0 HG LEU A 81 3.397 -3.904 -8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.161 -2.094 -7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.213 -2.827 -9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.842 -3.228 -7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.789 -3.466 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.536 -4.659 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.027 -5.184 -6.845 1.00 0.00 H new ATOM 1239 N VAL A 82 1.772 -8.103 -7.066 1.00 0.00 N ATOM 1240 CA VAL A 82 0.964 -9.211 -6.566 1.00 0.00 C ATOM 1241 C VAL A 82 -0.086 -8.684 -5.591 1.00 0.00 C ATOM 1242 O VAL A 82 -1.283 -8.727 -5.876 1.00 0.00 O ATOM 1243 CB VAL A 82 1.829 -10.286 -5.850 1.00 0.00 C ATOM 1244 CG1 VAL A 82 0.962 -11.443 -5.352 1.00 0.00 C ATOM 1245 CG2 VAL A 82 2.940 -10.797 -6.767 1.00 0.00 C ATOM 0 H VAL A 82 2.116 -7.477 -6.337 1.00 0.00 H new ATOM 0 HA VAL A 82 0.484 -9.680 -7.425 1.00 0.00 H new ATOM 0 HB VAL A 82 2.296 -9.816 -4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.591 -12.181 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.220 -11.065 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.455 -11.908 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.530 -11.548 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.500 -11.242 -7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.584 -9.967 -7.056 1.00 0.00 H new ATOM 1255 N TYR A 83 0.390 -8.160 -4.455 1.00 0.00 N ATOM 1256 CA TYR A 83 -0.472 -7.671 -3.377 1.00 0.00 C ATOM 1257 C TYR A 83 -1.427 -8.763 -2.885 1.00 0.00 C ATOM 1258 O TYR A 83 -2.419 -9.092 -3.541 1.00 0.00 O ATOM 1259 CB TYR A 83 -1.251 -6.410 -3.792 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.492 -5.111 -3.568 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.384 -4.606 -4.525 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -0.652 -4.391 -2.388 1.00 0.00 C ATOM 1263 CE1 TYR A 83 1.071 -3.425 -4.308 1.00 0.00 C ATOM 1264 CE2 TYR A 83 0.030 -3.211 -2.168 1.00 0.00 C ATOM 1265 CZ TYR A 83 0.891 -2.732 -3.130 1.00 0.00 C ATOM 1266 OH TYR A 83 1.572 -1.555 -2.916 1.00 0.00 O ATOM 0 H TYR A 83 1.386 -8.064 -4.259 1.00 0.00 H new ATOM 0 HA TYR A 83 0.182 -7.396 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.513 -6.488 -4.847 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -2.186 -6.373 -3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 83 0.529 -5.144 -5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.324 -4.763 -1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 83 1.747 -3.047 -5.060 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.111 -2.666 -1.246 1.00 0.00 H new ATOM 0 HH TYR A 83 1.331 -1.193 -2.038 1.00 0.00 H new ATOM 1276 N THR A 84 -1.107 -9.329 -1.733 1.00 0.00 N ATOM 1277 CA THR A 84 -1.919 -10.363 -1.113 1.00 0.00 C ATOM 1278 C THR A 84 -2.096 -10.058 0.373 1.00 0.00 C ATOM 1279 O THR A 84 -1.127 -10.071 1.133 1.00 0.00 O ATOM 1280 CB THR A 84 -1.258 -11.750 -1.286 1.00 0.00 C ATOM 1281 OG1 THR A 84 -1.017 -12.001 -2.681 1.00 0.00 O ATOM 1282 CG2 THR A 84 -2.130 -12.863 -0.706 1.00 0.00 C ATOM 0 H THR A 84 -0.273 -9.083 -1.199 1.00 0.00 H new ATOM 0 HA THR A 84 -2.894 -10.379 -1.600 1.00 0.00 H new ATOM 0 HB THR A 84 -0.314 -11.743 -0.742 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.597 -12.880 -2.787 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.634 -13.824 -0.845 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.286 -12.686 0.358 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.093 -12.874 -1.217 1.00 0.00 H new ATOM 1290 N LYS A 85 -3.321 -9.738 0.783 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.599 -9.491 2.191 1.00 0.00 C ATOM 1292 C LYS A 85 -3.809 -10.822 2.916 1.00 0.00 C ATOM 1293 O LYS A 85 -4.915 -11.366 2.955 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.800 -8.532 2.366 1.00 0.00 C ATOM 1295 CG LYS A 85 -6.103 -9.007 1.726 1.00 0.00 C ATOM 1296 CD LYS A 85 -7.200 -7.935 1.755 1.00 0.00 C ATOM 1297 CE LYS A 85 -7.599 -7.510 3.173 1.00 0.00 C ATOM 1298 NZ LYS A 85 -6.624 -6.563 3.790 1.00 0.00 N ATOM 0 H LYS A 85 -4.128 -9.645 0.166 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.741 -8.993 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.971 -8.378 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.537 -7.563 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.911 -9.297 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.456 -9.897 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.856 -7.059 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.081 -8.313 1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.583 -7.043 3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.685 -8.396 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.136 -7.032 4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.926 -6.270 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.130 -5.726 4.144 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.714 -11.361 3.448 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.743 -12.641 4.153 1.00 0.00 C ATOM 1314 C ALA A 86 -3.558 -12.514 5.431 1.00 0.00 C ATOM 1315 O ALA A 86 -4.209 -13.462 5.875 1.00 0.00 O ATOM 1316 CB ALA A 86 -1.326 -13.111 4.463 1.00 0.00 C ATOM 0 H ALA A 86 -1.791 -10.929 3.404 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.215 -13.385 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.366 -14.065 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.771 -13.232 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.827 -12.372 5.090 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.510 -11.322 6.011 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.300 -10.984 7.186 1.00 0.00 C ATOM 1324 C ASN A 87 -5.034 -9.676 6.905 1.00 0.00 C ATOM 1325 O ASN A 87 -4.590 -8.896 6.058 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.400 -10.830 8.428 1.00 0.00 C ATOM 1327 CG ASN A 87 -2.595 -12.084 8.741 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -1.478 -12.263 8.248 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -3.147 -12.953 9.570 1.00 0.00 N ATOM 0 H ASN A 87 -2.920 -10.560 5.678 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.012 -11.784 7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.716 -9.996 8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.019 -10.578 9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.647 -13.806 9.822 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.073 -12.771 9.958 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.169 -9.421 7.583 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.944 -8.186 7.396 1.00 0.00 C ATOM 1338 C PRO A 88 -6.065 -6.932 7.345 1.00 0.00 C ATOM 1339 O PRO A 88 -6.246 -6.069 6.480 1.00 0.00 O ATOM 1340 CB PRO A 88 -7.858 -8.166 8.622 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.089 -9.607 8.928 1.00 0.00 C ATOM 1342 CD PRO A 88 -6.809 -10.322 8.568 1.00 0.00 C ATOM 0 HA PRO A 88 -7.478 -8.177 6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.389 -7.651 9.460 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.794 -7.648 8.413 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.331 -9.748 9.981 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.929 -9.998 8.353 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.176 -10.474 9.442 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.006 -11.306 8.142 1.00 0.00 H new ATOM 1350 N THR A 89 -5.095 -6.851 8.253 1.00 0.00 N ATOM 1351 CA THR A 89 -4.219 -5.683 8.352 1.00 0.00 C ATOM 1352 C THR A 89 -2.794 -5.986 7.872 1.00 0.00 C ATOM 1353 O THR A 89 -1.871 -5.224 8.153 1.00 0.00 O ATOM 1354 CB THR A 89 -4.167 -5.170 9.811 1.00 0.00 C ATOM 1355 OG1 THR A 89 -3.822 -6.250 10.691 1.00 0.00 O ATOM 1356 CG2 THR A 89 -5.504 -4.565 10.235 1.00 0.00 C ATOM 0 H THR A 89 -4.894 -7.583 8.934 1.00 0.00 H new ATOM 0 HA THR A 89 -4.640 -4.916 7.702 1.00 0.00 H new ATOM 0 HB THR A 89 -3.409 -4.389 9.870 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.788 -5.922 11.614 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.434 -4.214 11.265 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.748 -3.727 9.582 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.285 -5.321 10.162 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.618 -7.080 7.133 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.292 -7.481 6.648 1.00 0.00 C ATOM 1366 C PHE A 90 -1.341 -7.795 5.149 1.00 0.00 C ATOM 1367 O PHE A 90 -1.841 -8.848 4.737 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.779 -8.691 7.452 1.00 0.00 C ATOM 1369 CG PHE A 90 0.566 -9.226 7.009 1.00 0.00 C ATOM 1370 CD1 PHE A 90 1.753 -8.711 7.525 1.00 0.00 C ATOM 1371 CD2 PHE A 90 0.640 -10.258 6.084 1.00 0.00 C ATOM 1372 CE1 PHE A 90 2.973 -9.216 7.121 1.00 0.00 C ATOM 1373 CE2 PHE A 90 1.859 -10.760 5.681 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.025 -10.240 6.199 1.00 0.00 C ATOM 0 H PHE A 90 -3.374 -7.706 6.856 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.597 -6.654 6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.713 -8.409 8.503 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.514 -9.493 7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.719 -7.909 8.248 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.269 -10.673 5.675 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.887 -8.809 7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.900 -11.562 4.959 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.979 -10.634 5.883 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.828 -6.866 4.347 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.811 -6.997 2.889 1.00 0.00 C ATOM 1386 C HIS A 91 0.645 -7.089 2.415 1.00 0.00 C ATOM 1387 O HIS A 91 1.446 -6.212 2.729 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.508 -5.772 2.256 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.241 -6.056 0.975 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.568 -5.734 0.768 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -1.818 -6.629 -0.181 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -3.899 -6.116 -0.468 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -2.875 -6.667 -1.085 1.00 0.00 N ATOM 0 H HIS A 91 -0.411 -6.000 4.688 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.344 -7.898 2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.213 -5.360 2.978 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.759 -5.003 2.067 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.187 -5.283 1.442 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.820 -6.997 -0.369 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.879 -5.989 -0.904 1.00 0.00 H new ATOM 1401 N HIS A 92 0.993 -8.146 1.681 1.00 0.00 N ATOM 1402 CA HIS A 92 2.383 -8.356 1.250 1.00 0.00 C ATOM 1403 C HIS A 92 2.483 -8.561 -0.262 1.00 0.00 C ATOM 1404 O HIS A 92 1.501 -8.910 -0.921 1.00 0.00 O ATOM 1405 CB HIS A 92 3.003 -9.555 1.985 1.00 0.00 C ATOM 1406 CG HIS A 92 2.304 -10.861 1.738 1.00 0.00 C ATOM 1407 ND1 HIS A 92 2.670 -11.761 0.759 1.00 0.00 N ATOM 1408 CD2 HIS A 92 1.253 -11.425 2.386 1.00 0.00 C ATOM 1409 CE1 HIS A 92 1.850 -12.814 0.843 1.00 0.00 C ATOM 1410 NE2 HIS A 92 0.973 -12.660 1.814 1.00 0.00 N ATOM 0 H HIS A 92 0.341 -8.867 1.372 1.00 0.00 H new ATOM 0 HA HIS A 92 2.940 -7.454 1.504 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.046 -9.652 1.683 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.999 -9.351 3.056 1.00 0.00 H new ATOM 0 HD1 HIS A 92 3.431 -11.644 0.090 1.00 0.00 H new ATOM 0 HD2 HIS A 92 0.719 -10.984 3.215 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.900 -13.679 0.198 1.00 0.00 H new ATOM 1418 N TRP A 93 3.682 -8.338 -0.800 1.00 0.00 N ATOM 1419 CA TRP A 93 3.945 -8.477 -2.230 1.00 0.00 C ATOM 1420 C TRP A 93 5.428 -8.762 -2.471 1.00 0.00 C ATOM 1421 O TRP A 93 6.286 -8.295 -1.719 1.00 0.00 O ATOM 1422 CB TRP A 93 3.521 -7.202 -2.980 1.00 0.00 C ATOM 1423 CG TRP A 93 4.234 -5.959 -2.516 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.395 -5.440 -3.015 1.00 0.00 C ATOM 1425 CD2 TRP A 93 3.831 -5.085 -1.452 1.00 0.00 C ATOM 1426 NE1 TRP A 93 5.738 -4.303 -2.327 1.00 0.00 N ATOM 1427 CE2 TRP A 93 4.794 -4.062 -1.366 1.00 0.00 C ATOM 1428 CE3 TRP A 93 2.748 -5.065 -0.568 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 4.710 -3.035 -0.428 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 2.665 -4.046 0.362 1.00 0.00 C ATOM 1431 CH2 TRP A 93 3.639 -3.041 0.424 1.00 0.00 C ATOM 0 H TRP A 93 4.497 -8.056 -0.256 1.00 0.00 H new ATOM 0 HA TRP A 93 3.361 -9.315 -2.610 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.706 -7.340 -4.045 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.447 -7.060 -2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.961 -5.863 -3.832 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.563 -3.730 -2.503 1.00 0.00 H new ATOM 0 HE3 TRP A 93 1.989 -5.833 -0.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 5.463 -2.262 -0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 1.835 -4.024 1.053 1.00 0.00 H new ATOM 0 HH2 TRP A 93 3.543 -2.255 1.159 1.00 0.00 H new ATOM 1442 N LYS A 94 5.726 -9.533 -3.514 1.00 0.00 N ATOM 1443 CA LYS A 94 7.109 -9.835 -3.885 1.00 0.00 C ATOM 1444 C LYS A 94 7.441 -9.184 -5.226 1.00 0.00 C ATOM 1445 O LYS A 94 6.708 -9.366 -6.200 1.00 0.00 O ATOM 1446 CB LYS A 94 7.325 -11.356 -3.965 1.00 0.00 C ATOM 1447 CG LYS A 94 8.778 -11.763 -4.214 1.00 0.00 C ATOM 1448 CD LYS A 94 8.972 -13.285 -4.198 1.00 0.00 C ATOM 1449 CE LYS A 94 8.497 -13.966 -5.485 1.00 0.00 C ATOM 1450 NZ LYS A 94 7.033 -13.823 -5.711 1.00 0.00 N ATOM 0 H LYS A 94 5.027 -9.962 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 94 7.773 -9.432 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.985 -11.811 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.703 -11.760 -4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.103 -11.369 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.414 -11.311 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.028 -13.509 -4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.430 -13.705 -3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.033 -13.542 -6.334 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.751 -15.025 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.668 -14.679 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.552 -13.692 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.854 -12.998 -6.318 1.00 0.00 H new ATOM 1464 N VAL A 95 8.534 -8.422 -5.266 1.00 0.00 N ATOM 1465 CA VAL A 95 8.968 -7.731 -6.483 1.00 0.00 C ATOM 1466 C VAL A 95 10.495 -7.654 -6.539 1.00 0.00 C ATOM 1467 O VAL A 95 11.151 -7.554 -5.503 1.00 0.00 O ATOM 1468 CB VAL A 95 8.382 -6.292 -6.584 1.00 0.00 C ATOM 1469 CG1 VAL A 95 6.867 -6.318 -6.794 1.00 0.00 C ATOM 1470 CG2 VAL A 95 8.742 -5.466 -5.348 1.00 0.00 C ATOM 0 H VAL A 95 9.141 -8.266 -4.461 1.00 0.00 H new ATOM 0 HA VAL A 95 8.592 -8.312 -7.325 1.00 0.00 H new ATOM 0 HB VAL A 95 8.831 -5.816 -7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.491 -5.297 -6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.637 -6.850 -7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.392 -6.826 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.321 -4.465 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.336 -5.947 -4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.826 -5.396 -5.260 1.00 0.00 H new ATOM 1480 N ASP A 96 11.038 -7.709 -7.758 1.00 0.00 N ATOM 1481 CA ASP A 96 12.487 -7.620 -8.004 1.00 0.00 C ATOM 1482 C ASP A 96 13.243 -8.800 -7.382 1.00 0.00 C ATOM 1483 O ASP A 96 13.699 -9.696 -8.098 1.00 0.00 O ATOM 1484 CB ASP A 96 13.059 -6.283 -7.504 1.00 0.00 C ATOM 1485 CG ASP A 96 14.566 -6.168 -7.724 1.00 0.00 C ATOM 1486 OD1 ASP A 96 15.009 -6.208 -8.895 1.00 0.00 O ATOM 1487 OD2 ASP A 96 15.314 -6.041 -6.732 1.00 0.00 O ATOM 0 H ASP A 96 10.486 -7.817 -8.609 1.00 0.00 H new ATOM 0 HA ASP A 96 12.630 -7.667 -9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.557 -5.463 -8.018 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.842 -6.174 -6.441 1.00 0.00 H new ATOM 1492 N ASN A 97 13.375 -8.803 -6.058 1.00 0.00 N ATOM 1493 CA ASN A 97 14.078 -9.876 -5.356 1.00 0.00 C ATOM 1494 C ASN A 97 13.443 -10.133 -3.991 1.00 0.00 C ATOM 1495 O ASN A 97 13.013 -11.251 -3.698 1.00 0.00 O ATOM 1496 CB ASN A 97 15.566 -9.531 -5.191 1.00 0.00 C ATOM 1497 CG ASN A 97 16.356 -10.653 -4.532 1.00 0.00 C ATOM 1498 OD1 ASN A 97 16.468 -10.718 -3.308 1.00 0.00 O ATOM 1499 ND2 ASN A 97 16.921 -11.536 -5.340 1.00 0.00 N ATOM 0 H ASN A 97 13.004 -8.074 -5.448 1.00 0.00 H new ATOM 0 HA ASN A 97 13.995 -10.783 -5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.996 -9.314 -6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.661 -8.625 -4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.471 -12.303 -4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.806 -11.450 -6.350 1.00 0.00 H new ATOM 1506 N ARG A 98 13.379 -9.094 -3.160 1.00 0.00 N ATOM 1507 CA ARG A 98 12.816 -9.216 -1.817 1.00 0.00 C ATOM 1508 C ARG A 98 11.291 -9.208 -1.854 1.00 0.00 C ATOM 1509 O ARG A 98 10.671 -9.037 -2.909 1.00 0.00 O ATOM 1510 CB ARG A 98 13.324 -8.090 -0.892 1.00 0.00 C ATOM 1511 CG ARG A 98 14.709 -8.341 -0.293 1.00 0.00 C ATOM 1512 CD ARG A 98 15.818 -8.275 -1.335 1.00 0.00 C ATOM 1513 NE ARG A 98 15.959 -6.934 -1.905 1.00 0.00 N ATOM 1514 CZ ARG A 98 16.904 -6.589 -2.780 1.00 0.00 C ATOM 1515 NH1 ARG A 98 17.827 -7.470 -3.155 1.00 0.00 N ATOM 1516 NH2 ARG A 98 16.931 -5.357 -3.266 1.00 0.00 N ATOM 0 H ARG A 98 13.710 -8.158 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 98 13.149 -10.173 -1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 98 13.349 -7.157 -1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.610 -7.953 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 98 14.903 -7.604 0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 98 14.722 -9.321 0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 98 16.761 -8.576 -0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.608 -8.987 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 98 15.292 -6.219 -1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 98 17.814 -8.416 -2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 98 18.547 -7.200 -3.825 1.00 0.00 H new ATOM 0 HH21 ARG A 98 16.231 -4.677 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 98 17.652 -5.089 -3.936 1.00 0.00 H new ATOM 1530 N LYS A 99 10.694 -9.394 -0.684 1.00 0.00 N ATOM 1531 CA LYS A 99 9.248 -9.431 -0.539 1.00 0.00 C ATOM 1532 C LYS A 99 8.832 -8.472 0.573 1.00 0.00 C ATOM 1533 O LYS A 99 9.199 -8.658 1.732 1.00 0.00 O ATOM 1534 CB LYS A 99 8.804 -10.871 -0.237 1.00 0.00 C ATOM 1535 CG LYS A 99 7.294 -11.055 -0.110 1.00 0.00 C ATOM 1536 CD LYS A 99 6.909 -12.535 -0.068 1.00 0.00 C ATOM 1537 CE LYS A 99 7.600 -13.282 1.070 1.00 0.00 C ATOM 1538 NZ LYS A 99 7.234 -14.724 1.084 1.00 0.00 N ATOM 0 H LYS A 99 11.201 -9.523 0.191 1.00 0.00 H new ATOM 0 HA LYS A 99 8.763 -9.114 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.171 -11.524 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.276 -11.196 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.941 -10.561 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.796 -10.573 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.829 -12.624 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.169 -13.003 -1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.681 -13.182 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.326 -12.828 2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.722 -15.198 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.206 -14.820 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.518 -15.163 0.185 1.00 0.00 H new ATOM 1552 N PHE A 100 8.093 -7.434 0.213 1.00 0.00 N ATOM 1553 CA PHE A 100 7.738 -6.378 1.155 1.00 0.00 C ATOM 1554 C PHE A 100 6.311 -6.561 1.652 1.00 0.00 C ATOM 1555 O PHE A 100 5.554 -7.369 1.110 1.00 0.00 O ATOM 1556 CB PHE A 100 7.906 -5.006 0.492 1.00 0.00 C ATOM 1557 CG PHE A 100 9.250 -4.827 -0.175 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.417 -4.774 0.577 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.345 -4.716 -1.556 1.00 0.00 C ATOM 1560 CE1 PHE A 100 11.648 -4.615 -0.037 1.00 0.00 C ATOM 1561 CE2 PHE A 100 10.572 -4.555 -2.172 1.00 0.00 C ATOM 1562 CZ PHE A 100 11.724 -4.505 -1.410 1.00 0.00 C ATOM 0 H PHE A 100 7.725 -7.298 -0.729 1.00 0.00 H new ATOM 0 HA PHE A 100 8.406 -6.436 2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.119 -4.869 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.774 -4.228 1.244 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.364 -4.858 1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.448 -4.756 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.548 -4.577 0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 100 10.630 -4.468 -3.247 1.00 0.00 H new ATOM 0 HZ PHE A 100 12.684 -4.380 -1.889 1.00 0.00 H new ATOM 1572 N GLY A 101 5.947 -5.813 2.686 1.00 0.00 N ATOM 1573 CA GLY A 101 4.628 -5.937 3.273 1.00 0.00 C ATOM 1574 C GLY A 101 4.157 -4.643 3.895 1.00 0.00 C ATOM 1575 O GLY A 101 4.927 -3.688 4.025 1.00 0.00 O ATOM 0 H GLY A 101 6.547 -5.118 3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.919 -6.249 2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.642 -6.719 4.032 1.00 0.00 H new ATOM 1579 N LEU A 102 2.893 -4.612 4.287 1.00 0.00 N ATOM 1580 CA LEU A 102 2.293 -3.421 4.867 1.00 0.00 C ATOM 1581 C LEU A 102 1.314 -3.832 5.965 1.00 0.00 C ATOM 1582 O LEU A 102 0.460 -4.696 5.757 1.00 0.00 O ATOM 1583 CB LEU A 102 1.576 -2.615 3.764 1.00 0.00 C ATOM 1584 CG LEU A 102 1.452 -1.096 3.998 1.00 0.00 C ATOM 1585 CD1 LEU A 102 0.825 -0.421 2.783 1.00 0.00 C ATOM 1586 CD2 LEU A 102 0.640 -0.780 5.251 1.00 0.00 C ATOM 0 H LEU A 102 2.258 -5.406 4.213 1.00 0.00 H new ATOM 0 HA LEU A 102 3.066 -2.791 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.106 -2.774 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.574 -3.025 3.638 1.00 0.00 H new ATOM 0 HG LEU A 102 2.458 -0.705 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.744 0.651 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.450 -0.595 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.168 -0.835 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.576 0.300 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.363 -1.193 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.127 -1.221 6.121 1.00 0.00 H new ATOM 1598 N THR A 103 1.466 -3.232 7.136 1.00 0.00 N ATOM 1599 CA THR A 103 0.563 -3.452 8.254 1.00 0.00 C ATOM 1600 C THR A 103 -0.258 -2.193 8.524 1.00 0.00 C ATOM 1601 O THR A 103 0.295 -1.113 8.749 1.00 0.00 O ATOM 1602 CB THR A 103 1.336 -3.859 9.529 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.014 -5.106 9.302 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.400 -3.993 10.729 1.00 0.00 C ATOM 0 H THR A 103 2.222 -2.577 7.338 1.00 0.00 H new ATOM 0 HA THR A 103 -0.107 -4.269 7.987 1.00 0.00 H new ATOM 0 HB THR A 103 2.061 -3.076 9.752 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.505 -5.363 10.110 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.975 -4.280 11.609 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.094 -3.039 10.914 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.351 -4.756 10.522 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.573 -2.340 8.473 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.492 -1.232 8.711 1.00 0.00 C ATOM 1614 C PHE A 104 -2.821 -1.147 10.199 1.00 0.00 C ATOM 1615 O PHE A 104 -2.614 -2.116 10.939 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.768 -1.434 7.891 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.505 -1.710 6.430 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.131 -0.687 5.573 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -3.628 -2.996 5.916 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -2.886 -0.939 4.238 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -3.386 -3.250 4.581 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.013 -2.219 3.740 1.00 0.00 C ATOM 0 H PHE A 104 -2.034 -3.226 8.267 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.023 -0.298 8.403 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.335 -2.264 8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.392 -0.544 7.978 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.030 0.319 5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.916 -3.806 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.594 -0.132 3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.488 -4.253 4.194 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.821 -2.415 2.695 1.00 0.00 H new ATOM 1632 N GLN A 105 -3.337 -0.006 10.641 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.620 0.201 12.060 1.00 0.00 C ATOM 1634 C GLN A 105 -5.122 0.324 12.317 1.00 0.00 C ATOM 1635 O GLN A 105 -5.660 -0.340 13.209 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.867 1.433 12.593 1.00 0.00 C ATOM 1637 CG GLN A 105 -3.208 2.737 11.884 1.00 0.00 C ATOM 1638 CD GLN A 105 -2.480 3.928 12.482 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -1.387 4.298 12.044 1.00 0.00 O ATOM 1640 NE2 GLN A 105 -3.072 4.526 13.499 1.00 0.00 N ATOM 0 H GLN A 105 -3.568 0.787 10.043 1.00 0.00 H new ATOM 0 HA GLN A 105 -3.265 -0.676 12.601 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.084 1.544 13.655 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.795 1.255 12.504 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.952 2.651 10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.283 2.907 11.939 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.976 4.190 13.832 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.626 5.324 13.952 1.00 0.00 H new ATOM 1649 N SER A 106 -5.802 1.150 11.530 1.00 0.00 N ATOM 1650 CA SER A 106 -7.228 1.382 11.715 1.00 0.00 C ATOM 1651 C SER A 106 -8.000 0.915 10.479 1.00 0.00 C ATOM 1652 O SER A 106 -7.507 1.042 9.357 1.00 0.00 O ATOM 1653 CB SER A 106 -7.487 2.875 11.972 1.00 0.00 C ATOM 1654 OG SER A 106 -6.677 3.362 13.037 1.00 0.00 O ATOM 0 H SER A 106 -5.387 1.670 10.757 1.00 0.00 H new ATOM 0 HA SER A 106 -7.572 0.812 12.578 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.281 3.444 11.065 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.539 3.028 12.212 1.00 0.00 H new ATOM 0 HG SER A 106 -6.860 4.314 13.178 1.00 0.00 H new ATOM 1660 N PRO A 107 -9.217 0.352 10.665 1.00 0.00 N ATOM 1661 CA PRO A 107 -10.068 -0.085 9.546 1.00 0.00 C ATOM 1662 C PRO A 107 -10.183 0.981 8.452 1.00 0.00 C ATOM 1663 O PRO A 107 -10.348 0.662 7.270 1.00 0.00 O ATOM 1664 CB PRO A 107 -11.425 -0.327 10.215 1.00 0.00 C ATOM 1665 CG PRO A 107 -11.081 -0.715 11.614 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.850 0.080 11.975 1.00 0.00 C ATOM 0 HA PRO A 107 -9.666 -0.962 9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.046 0.569 10.192 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.983 -1.115 9.709 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.903 -0.492 12.294 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.889 -1.786 11.686 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.107 1.002 12.496 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.187 -0.483 12.632 1.00 0.00 H new ATOM 1674 N ALA A 108 -10.089 2.248 8.865 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.115 3.374 7.939 1.00 0.00 C ATOM 1676 C ALA A 108 -8.990 3.262 6.909 1.00 0.00 C ATOM 1677 O ALA A 108 -9.243 2.975 5.737 1.00 0.00 O ATOM 1678 CB ALA A 108 -10.012 4.690 8.703 1.00 0.00 C ATOM 0 H ALA A 108 -9.994 2.517 9.844 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.064 3.354 7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.033 5.522 7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -10.852 4.777 9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.078 4.713 9.264 1.00 0.00 H new ATOM 1684 N ASP A 109 -7.748 3.461 7.361 1.00 0.00 N ATOM 1685 CA ASP A 109 -6.581 3.409 6.475 1.00 0.00 C ATOM 1686 C ASP A 109 -6.451 2.040 5.821 1.00 0.00 C ATOM 1687 O ASP A 109 -6.086 1.938 4.649 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.283 3.768 7.228 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.110 3.013 8.544 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -4.548 1.898 8.549 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -5.528 3.557 9.590 1.00 0.00 O ATOM 0 H ASP A 109 -7.525 3.660 8.336 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.735 4.153 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.429 3.558 6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.274 4.839 7.430 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.770 0.997 6.582 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.721 -0.371 6.084 1.00 0.00 C ATOM 1698 C ALA A 110 -7.543 -0.525 4.808 1.00 0.00 C ATOM 1699 O ALA A 110 -6.998 -0.680 3.717 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.216 -1.343 7.154 1.00 0.00 C ATOM 0 H ALA A 110 -7.068 1.077 7.554 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.683 -0.605 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.174 -2.361 6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.584 -1.264 8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.244 -1.098 7.420 1.00 0.00 H new ATOM 1706 N ARG A 111 -8.858 -0.435 4.950 1.00 0.00 N ATOM 1707 CA ARG A 111 -9.771 -0.704 3.846 1.00 0.00 C ATOM 1708 C ARG A 111 -9.711 0.395 2.789 1.00 0.00 C ATOM 1709 O ARG A 111 -10.052 0.163 1.626 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.192 -0.891 4.382 1.00 0.00 C ATOM 1711 CG ARG A 111 -11.312 -2.111 5.288 1.00 0.00 C ATOM 1712 CD ARG A 111 -12.686 -2.234 5.933 1.00 0.00 C ATOM 1713 NE ARG A 111 -12.782 -3.452 6.742 1.00 0.00 N ATOM 1714 CZ ARG A 111 -13.405 -3.534 7.917 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -13.995 -2.467 8.446 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -13.423 -4.692 8.565 1.00 0.00 N ATOM 0 H ARG A 111 -9.319 -0.177 5.823 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.461 -1.627 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.490 0.000 4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.883 -0.993 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -11.106 -3.010 4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -10.553 -2.054 6.068 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -12.877 -1.362 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -13.454 -2.246 5.160 1.00 0.00 H new ATOM 0 HE ARG A 111 -12.341 -4.297 6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -13.974 -1.575 7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -14.469 -2.540 9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -12.963 -5.509 8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -13.897 -4.765 9.465 1.00 0.00 H new ATOM 1730 N ALA A 112 -9.266 1.584 3.188 1.00 0.00 N ATOM 1731 CA ALA A 112 -9.060 2.674 2.240 1.00 0.00 C ATOM 1732 C ALA A 112 -7.937 2.311 1.276 1.00 0.00 C ATOM 1733 O ALA A 112 -8.089 2.417 0.052 1.00 0.00 O ATOM 1734 CB ALA A 112 -8.739 3.977 2.964 1.00 0.00 C ATOM 0 H ALA A 112 -9.042 1.816 4.156 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.982 2.823 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.590 4.772 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.566 4.240 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.831 3.851 3.554 1.00 0.00 H new ATOM 1740 N PHE A 113 -6.819 1.854 1.838 1.00 0.00 N ATOM 1741 CA PHE A 113 -5.662 1.480 1.042 1.00 0.00 C ATOM 1742 C PHE A 113 -5.960 0.213 0.249 1.00 0.00 C ATOM 1743 O PHE A 113 -5.686 0.153 -0.946 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.428 1.272 1.926 1.00 0.00 C ATOM 1745 CG PHE A 113 -3.162 1.025 1.139 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -2.779 -0.264 0.788 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.362 2.086 0.742 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.628 -0.486 0.059 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.209 1.868 0.014 1.00 0.00 C ATOM 1750 CZ PHE A 113 -0.842 0.582 -0.328 1.00 0.00 C ATOM 0 H PHE A 113 -6.695 1.735 2.843 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.448 2.294 0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.290 2.150 2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.605 0.427 2.591 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.389 -1.102 1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.644 3.095 1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.343 -1.493 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.595 2.703 -0.288 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.059 0.411 -0.898 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.524 -0.795 0.922 1.00 0.00 N ATOM 1761 CA ASP A 114 -6.885 -2.053 0.264 1.00 0.00 C ATOM 1762 C ASP A 114 -7.734 -1.790 -0.977 1.00 0.00 C ATOM 1763 O ASP A 114 -7.347 -2.153 -2.085 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.632 -3.003 1.223 1.00 0.00 C ATOM 1765 CG ASP A 114 -6.703 -3.804 2.130 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -6.093 -4.785 1.650 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -6.600 -3.486 3.329 1.00 0.00 O ATOM 0 H ASP A 114 -6.739 -0.764 1.918 1.00 0.00 H new ATOM 0 HA ASP A 114 -5.957 -2.539 -0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.316 -2.420 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.240 -3.693 0.638 1.00 0.00 H new ATOM 1772 N ARG A 115 -8.876 -1.134 -0.792 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.782 -0.844 -1.906 1.00 0.00 C ATOM 1774 C ARG A 115 -9.090 0.027 -2.961 1.00 0.00 C ATOM 1775 O ARG A 115 -9.273 -0.177 -4.167 1.00 0.00 O ATOM 1776 CB ARG A 115 -11.063 -0.164 -1.395 1.00 0.00 C ATOM 1777 CG ARG A 115 -11.952 -1.086 -0.562 1.00 0.00 C ATOM 1778 CD ARG A 115 -13.135 -0.350 0.063 1.00 0.00 C ATOM 1779 NE ARG A 115 -13.988 0.303 -0.936 1.00 0.00 N ATOM 1780 CZ ARG A 115 -15.304 0.491 -0.796 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -15.938 0.027 0.273 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -15.983 1.141 -1.733 1.00 0.00 N ATOM 0 H ARG A 115 -9.198 -0.793 0.114 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.057 -1.788 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -10.789 0.704 -0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -11.634 0.205 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -12.323 -1.894 -1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.356 -1.545 0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -13.733 -1.056 0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.763 0.399 0.762 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.548 0.635 -1.794 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -15.421 -0.476 0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -16.942 0.174 0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.501 1.496 -2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -16.987 1.285 -1.628 1.00 0.00 H new ATOM 1796 N GLY A 116 -8.278 0.978 -2.500 1.00 0.00 N ATOM 1797 CA GLY A 116 -7.554 1.855 -3.407 1.00 0.00 C ATOM 1798 C GLY A 116 -6.587 1.098 -4.303 1.00 0.00 C ATOM 1799 O GLY A 116 -6.673 1.170 -5.534 1.00 0.00 O ATOM 0 H GLY A 116 -8.109 1.157 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.267 2.400 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.003 2.596 -2.828 1.00 0.00 H new ATOM 1803 N VAL A 117 -5.674 0.352 -3.686 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.670 -0.397 -4.432 1.00 0.00 C ATOM 1805 C VAL A 117 -5.335 -1.478 -5.283 1.00 0.00 C ATOM 1806 O VAL A 117 -4.848 -1.813 -6.360 1.00 0.00 O ATOM 1807 CB VAL A 117 -3.602 -1.040 -3.503 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -4.210 -2.122 -2.609 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -2.442 -1.601 -4.325 1.00 0.00 C ATOM 0 H VAL A 117 -5.610 0.251 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.158 0.315 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.216 -0.257 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.433 -2.548 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.989 -1.683 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -4.642 -2.907 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.705 -2.047 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.816 -2.361 -5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.976 -0.796 -4.894 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.462 -2.003 -4.802 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.209 -3.005 -5.551 1.00 0.00 C ATOM 1821 C ARG A 118 -7.711 -2.427 -6.870 1.00 0.00 C ATOM 1822 O ARG A 118 -7.472 -3.010 -7.927 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.371 -3.580 -4.724 1.00 0.00 C ATOM 1824 CG ARG A 118 -7.921 -4.585 -3.659 1.00 0.00 C ATOM 1825 CD ARG A 118 -7.248 -5.807 -4.280 1.00 0.00 C ATOM 1826 NE ARG A 118 -8.198 -6.649 -5.016 1.00 0.00 N ATOM 1827 CZ ARG A 118 -8.327 -6.675 -6.346 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -7.577 -5.894 -7.112 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -9.213 -7.486 -6.908 1.00 0.00 N ATOM 0 H ARG A 118 -6.873 -1.751 -3.903 1.00 0.00 H new ATOM 0 HA ARG A 118 -6.529 -3.828 -5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.902 -2.761 -4.239 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.079 -4.066 -5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.229 -4.100 -2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.783 -4.904 -3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -6.457 -5.480 -4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.775 -6.397 -3.495 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.806 -7.261 -4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -6.894 -5.266 -6.687 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -7.683 -5.921 -8.126 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -9.794 -8.088 -6.325 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -9.313 -7.507 -7.923 1.00 0.00 H new ATOM 1843 N LYS A 119 -8.370 -1.267 -6.823 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.855 -0.643 -8.053 1.00 0.00 C ATOM 1845 C LYS A 119 -7.663 -0.311 -8.951 1.00 0.00 C ATOM 1846 O LYS A 119 -7.754 -0.387 -10.177 1.00 0.00 O ATOM 1847 CB LYS A 119 -9.729 0.605 -7.756 1.00 0.00 C ATOM 1848 CG LYS A 119 -8.978 1.924 -7.510 1.00 0.00 C ATOM 1849 CD LYS A 119 -8.568 2.627 -8.813 1.00 0.00 C ATOM 1850 CE LYS A 119 -9.766 2.927 -9.714 1.00 0.00 C ATOM 1851 NZ LYS A 119 -9.345 3.410 -11.055 1.00 0.00 N ATOM 0 H LYS A 119 -8.576 -0.752 -5.967 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.502 -1.345 -8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -10.411 0.751 -8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -10.341 0.392 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -9.609 2.593 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.087 1.724 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -8.054 3.558 -8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.858 2.000 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.370 2.027 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.398 3.678 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.730 4.362 -11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.307 3.444 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.704 2.762 -11.786 1.00 0.00 H new ATOM 1865 N ALA A 120 -6.538 0.046 -8.323 1.00 0.00 N ATOM 1866 CA ALA A 120 -5.295 0.295 -9.049 1.00 0.00 C ATOM 1867 C ALA A 120 -4.827 -0.977 -9.760 1.00 0.00 C ATOM 1868 O ALA A 120 -4.300 -0.920 -10.872 1.00 0.00 O ATOM 1869 CB ALA A 120 -4.217 0.819 -8.105 1.00 0.00 C ATOM 0 H ALA A 120 -6.466 0.168 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.482 1.058 -9.804 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.299 0.998 -8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.553 1.751 -7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.028 0.082 -7.324 1.00 0.00 H new ATOM 1875 N ILE A 121 -5.036 -2.126 -9.113 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.717 -3.416 -9.719 1.00 0.00 C ATOM 1877 C ILE A 121 -5.595 -3.644 -10.947 1.00 0.00 C ATOM 1878 O ILE A 121 -5.105 -4.062 -11.993 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.896 -4.597 -8.722 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.899 -4.482 -7.555 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -4.739 -5.945 -9.431 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -2.441 -4.517 -7.974 1.00 0.00 C ATOM 0 H ILE A 121 -5.424 -2.187 -8.172 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.667 -3.387 -10.010 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.907 -4.543 -8.318 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -4.089 -3.551 -7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.083 -5.296 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -4.869 -6.752 -8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.491 -6.034 -10.215 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.745 -6.010 -9.873 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -1.807 -4.430 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.231 -5.459 -8.481 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -2.237 -3.687 -8.650 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.890 -3.351 -10.817 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.816 -3.449 -11.947 1.00 0.00 C ATOM 1896 C GLU A 122 -7.364 -2.546 -13.097 1.00 0.00 C ATOM 1897 O GLU A 122 -7.470 -2.922 -14.266 1.00 0.00 O ATOM 1898 CB GLU A 122 -9.252 -3.094 -11.524 1.00 0.00 C ATOM 1899 CG GLU A 122 -10.037 -4.260 -10.921 1.00 0.00 C ATOM 1900 CD GLU A 122 -9.464 -4.770 -9.607 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -8.597 -5.674 -9.633 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -9.902 -4.292 -8.539 1.00 0.00 O ATOM 0 H GLU A 122 -7.320 -3.045 -9.944 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.809 -4.483 -12.291 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.214 -2.282 -10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.792 -2.719 -12.393 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -11.069 -3.947 -10.760 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.061 -5.080 -11.639 1.00 0.00 H new ATOM 1909 N ASP A 123 -6.868 -1.357 -12.757 1.00 0.00 N ATOM 1910 CA ASP A 123 -6.329 -0.429 -13.755 1.00 0.00 C ATOM 1911 C ASP A 123 -5.071 -1.012 -14.393 1.00 0.00 C ATOM 1912 O ASP A 123 -4.824 -0.845 -15.592 1.00 0.00 O ATOM 1913 CB ASP A 123 -5.987 0.935 -13.125 1.00 0.00 C ATOM 1914 CG ASP A 123 -7.198 1.737 -12.661 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -8.347 1.351 -12.963 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -7.000 2.781 -12.002 1.00 0.00 O ATOM 0 H ASP A 123 -6.827 -1.012 -11.798 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.096 -0.282 -14.515 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.326 0.773 -12.273 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.431 1.528 -13.851 1.00 0.00 H new ATOM 1921 N LEU A 124 -4.282 -1.696 -13.572 1.00 0.00 N ATOM 1922 CA LEU A 124 -3.004 -2.252 -13.996 1.00 0.00 C ATOM 1923 C LEU A 124 -3.196 -3.431 -14.955 1.00 0.00 C ATOM 1924 O LEU A 124 -2.698 -3.409 -16.083 1.00 0.00 O ATOM 1925 CB LEU A 124 -2.200 -2.694 -12.763 1.00 0.00 C ATOM 1926 CG LEU A 124 -0.796 -3.243 -13.050 1.00 0.00 C ATOM 1927 CD1 LEU A 124 0.047 -2.207 -13.783 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.116 -3.677 -11.753 1.00 0.00 C ATOM 0 H LEU A 124 -4.511 -1.880 -12.595 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.455 -1.478 -14.531 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.107 -1.843 -12.088 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.769 -3.459 -12.235 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.893 -4.117 -13.694 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.039 -2.616 -13.977 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.431 -1.952 -14.728 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.138 -1.311 -13.169 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.879 -4.064 -11.975 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.031 -2.822 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.709 -4.456 -11.274 1.00 0.00 H new ATOM 1940 N ILE A 125 -3.919 -4.454 -14.499 1.00 0.00 N ATOM 1941 CA ILE A 125 -4.133 -5.662 -15.296 1.00 0.00 C ATOM 1942 C ILE A 125 -5.147 -5.411 -16.412 1.00 0.00 C ATOM 1943 O ILE A 125 -5.074 -6.032 -17.475 1.00 0.00 O ATOM 1944 CB ILE A 125 -4.561 -6.875 -14.410 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -5.832 -6.579 -13.576 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -3.408 -7.284 -13.492 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -7.141 -6.821 -14.305 1.00 0.00 C ATOM 0 H ILE A 125 -4.366 -4.470 -13.582 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.179 -5.919 -15.757 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.805 -7.698 -15.082 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -5.813 -7.197 -12.678 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.801 -5.540 -13.249 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.715 -8.130 -12.878 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.545 -7.567 -14.095 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.141 -6.446 -12.848 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.975 -6.587 -13.643 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -7.189 -6.184 -15.188 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -7.201 -7.866 -14.608 1.00 0.00 H new ATOM 1959 N GLU A 126 -6.076 -4.485 -16.160 1.00 0.00 N ATOM 1960 CA GLU A 126 -7.073 -4.079 -17.147 1.00 0.00 C ATOM 1961 C GLU A 126 -7.918 -5.279 -17.606 1.00 0.00 C ATOM 1962 O GLU A 126 -8.908 -5.600 -16.917 1.00 0.00 O ATOM 1963 CB GLU A 126 -6.380 -3.392 -18.333 1.00 0.00 C ATOM 1964 CG GLU A 126 -7.336 -2.754 -19.334 1.00 0.00 C ATOM 1965 CD GLU A 126 -6.602 -2.114 -20.497 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -6.327 -2.820 -21.491 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -6.285 -0.906 -20.412 1.00 0.00 O ATOM 1968 OXT GLU A 126 -7.592 -5.898 -18.644 1.00 0.00 O ATOM 0 H GLU A 126 -6.156 -3.998 -15.267 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.756 -3.365 -16.686 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -5.707 -2.624 -17.951 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -5.764 -4.125 -18.853 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -8.023 -3.511 -19.712 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -7.940 -2.000 -18.828 1.00 0.00 H new