USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 615 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 56 GLN : amide:sc= 1.25 K(o=3.4,f=-3.2) USER MOD Set 1.2: A 58 TYR OH : rot -54:sc= 0.828 USER MOD Set 1.3: A 87 LYS NZ :NH3+ 171:sc= 1.32 (180deg=0) USER MOD Set 2.1: A 21 LYS NZ :NH3+ -142:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 26 GLN : amide:sc= 1.15 K(o=2.4,f=-8.5!) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= -0.0129 (180deg=-0.142) USER MOD Single : A 17 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2) USER MOD Single : A 19 THR OG1 : rot 147:sc= 0.84 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 0.609 (180deg=0.55) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -66:sc= 1.22 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00682 USER MOD Single : A 38 SER OG : rot 46:sc= 1.22 USER MOD Single : A 39 SER OG : rot 170:sc= 0.00982 USER MOD Single : A 41 LYS NZ :NH3+ -142:sc= 0.619 (180deg=-0.816!) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc=-0.00991 (180deg=-0.155) USER MOD Single : A 45 HIS : no HE2:sc= 0.944 K(o=0.94,f=-2.9!) USER MOD Single : A 49 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= -0.0144 (180deg=-0.123) USER MOD Single : A 55 MET CE :methyl 171:sc= -0.727 (180deg=-0.964) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 74:sc= 1.24 USER MOD Single : A 70 ASN : amide:sc= -0.0317 K(o=-0.032,f=-1.5) USER MOD Single : A 72 ASN : amide:sc= 1.04 K(o=1,f=-0.21) USER MOD Single : A 74 TYR OH : rot -110:sc= -1.05 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 80 SER OG : rot -100:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 224 N LYS A 15 -13.676 3.127 -1.161 1.00 0.00 N ATOM 225 CA LYS A 15 -12.427 2.570 -1.649 1.00 0.00 C ATOM 226 C LYS A 15 -11.630 3.659 -2.344 1.00 0.00 C ATOM 227 O LYS A 15 -12.167 4.411 -3.163 1.00 0.00 O ATOM 228 CB LYS A 15 -12.655 1.398 -2.612 1.00 0.00 C ATOM 229 CG LYS A 15 -13.099 0.102 -1.942 1.00 0.00 C ATOM 230 CD LYS A 15 -14.496 0.203 -1.350 1.00 0.00 C ATOM 231 CE LYS A 15 -14.925 -1.104 -0.702 1.00 0.00 C ATOM 232 NZ LYS A 15 -15.047 -2.213 -1.688 1.00 0.00 N ATOM 0 HA LYS A 15 -11.874 2.185 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.407 1.689 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.732 1.210 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.074 -0.708 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.392 -0.157 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.521 1.002 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.205 0.472 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.201 -1.381 0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.882 -0.961 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.516 -3.026 -1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.610 -1.894 -2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.100 -2.495 -2.012 1.00 0.00 H new ATOM 246 N ILE A 16 -10.358 3.730 -2.026 1.00 0.00 N ATOM 247 CA ILE A 16 -9.510 4.804 -2.504 1.00 0.00 C ATOM 248 C ILE A 16 -8.514 4.293 -3.532 1.00 0.00 C ATOM 249 O ILE A 16 -8.241 3.092 -3.614 1.00 0.00 O ATOM 250 CB ILE A 16 -8.752 5.493 -1.347 1.00 0.00 C ATOM 251 CG1 ILE A 16 -7.937 4.468 -0.547 1.00 0.00 C ATOM 252 CG2 ILE A 16 -9.727 6.235 -0.441 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.150 5.068 0.599 1.00 0.00 C ATOM 0 H ILE A 16 -9.882 3.051 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.164 5.540 -2.973 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.058 6.219 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.613 3.709 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.248 3.961 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.178 6.715 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.256 6.992 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.445 5.529 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.601 4.280 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.448 5.806 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.834 5.551 1.297 1.00 0.00 H new ATOM 265 N HIS A 17 -7.996 5.207 -4.327 1.00 0.00 N ATOM 266 CA HIS A 17 -6.999 4.878 -5.328 1.00 0.00 C ATOM 267 C HIS A 17 -5.621 5.258 -4.824 1.00 0.00 C ATOM 268 O HIS A 17 -5.321 6.438 -4.658 1.00 0.00 O ATOM 269 CB HIS A 17 -7.283 5.618 -6.635 1.00 0.00 C ATOM 270 CG HIS A 17 -8.633 5.334 -7.210 1.00 0.00 C ATOM 271 ND1 HIS A 17 -9.737 6.113 -6.949 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.049 4.357 -8.044 1.00 0.00 C ATOM 273 CE1 HIS A 17 -10.776 5.628 -7.607 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.384 4.562 -8.281 1.00 0.00 N ATOM 0 H HIS A 17 -8.252 6.194 -4.299 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.039 3.805 -5.515 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.191 6.690 -6.462 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.522 5.347 -7.367 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -9.751 6.934 -6.344 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.442 3.561 -8.450 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -11.776 6.035 -7.595 1.00 0.00 H new ATOM 283 N VAL A 18 -4.792 4.269 -4.566 1.00 0.00 N ATOM 284 CA VAL A 18 -3.447 4.531 -4.094 1.00 0.00 C ATOM 285 C VAL A 18 -2.456 4.482 -5.248 1.00 0.00 C ATOM 286 O VAL A 18 -2.484 3.565 -6.077 1.00 0.00 O ATOM 287 CB VAL A 18 -3.020 3.534 -3.000 1.00 0.00 C ATOM 288 CG1 VAL A 18 -3.957 3.629 -1.803 1.00 0.00 C ATOM 289 CG2 VAL A 18 -2.980 2.116 -3.551 1.00 0.00 C ATOM 0 H VAL A 18 -5.023 3.281 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.447 5.531 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.014 3.792 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.643 2.919 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.925 4.639 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.974 3.397 -2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.676 1.428 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.970 1.838 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.265 2.065 -4.372 1.00 0.00 H new ATOM 299 N THR A 19 -1.606 5.482 -5.315 1.00 0.00 N ATOM 300 CA THR A 19 -0.588 5.542 -6.337 1.00 0.00 C ATOM 301 C THR A 19 0.637 4.761 -5.886 1.00 0.00 C ATOM 302 O THR A 19 1.347 5.184 -4.980 1.00 0.00 O ATOM 303 CB THR A 19 -0.179 6.996 -6.618 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.345 7.837 -6.696 1.00 0.00 O ATOM 305 CG2 THR A 19 0.608 7.087 -7.918 1.00 0.00 C ATOM 0 H THR A 19 -1.601 6.270 -4.668 1.00 0.00 H new ATOM 0 HA THR A 19 -0.995 5.107 -7.250 1.00 0.00 H new ATOM 0 HB THR A 19 0.453 7.338 -5.798 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.129 8.728 -6.350 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.889 8.124 -8.101 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.507 6.475 -7.843 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.008 6.727 -8.742 1.00 0.00 H new ATOM 313 N VAL A 20 0.885 3.630 -6.513 1.00 0.00 N ATOM 314 CA VAL A 20 1.985 2.777 -6.109 1.00 0.00 C ATOM 315 C VAL A 20 3.255 3.150 -6.865 1.00 0.00 C ATOM 316 O VAL A 20 3.331 3.005 -8.090 1.00 0.00 O ATOM 317 CB VAL A 20 1.662 1.285 -6.328 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.794 0.409 -5.819 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.357 0.915 -5.639 1.00 0.00 C ATOM 0 H VAL A 20 0.342 3.280 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 20 2.142 2.933 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 20 1.551 1.115 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.545 -0.639 -5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.712 0.652 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.939 0.585 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.145 -0.141 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.444 1.105 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.454 1.516 -6.049 1.00 0.00 H new ATOM 329 N LYS A 21 4.233 3.654 -6.127 1.00 0.00 N ATOM 330 CA LYS A 21 5.520 4.032 -6.690 1.00 0.00 C ATOM 331 C LYS A 21 6.496 2.864 -6.615 1.00 0.00 C ATOM 332 O LYS A 21 6.968 2.504 -5.536 1.00 0.00 O ATOM 333 CB LYS A 21 6.095 5.234 -5.931 1.00 0.00 C ATOM 334 CG LYS A 21 5.316 6.528 -6.128 1.00 0.00 C ATOM 335 CD LYS A 21 5.574 7.129 -7.498 1.00 0.00 C ATOM 336 CE LYS A 21 4.921 8.494 -7.637 1.00 0.00 C ATOM 337 NZ LYS A 21 5.283 9.149 -8.920 1.00 0.00 N ATOM 0 H LYS A 21 4.157 3.812 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 21 5.373 4.304 -7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.123 4.998 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.125 5.391 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.250 6.334 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.597 7.244 -5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.648 7.220 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.190 6.460 -8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.838 8.387 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.226 9.129 -6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.413 10.169 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.167 8.738 -9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.522 8.999 -9.613 1.00 0.00 H new ATOM 351 N PHE A 22 6.773 2.260 -7.759 1.00 0.00 N ATOM 352 CA PHE A 22 7.753 1.191 -7.839 1.00 0.00 C ATOM 353 C PHE A 22 8.987 1.667 -8.591 1.00 0.00 C ATOM 354 O PHE A 22 8.895 2.546 -9.449 1.00 0.00 O ATOM 355 CB PHE A 22 7.166 -0.043 -8.532 1.00 0.00 C ATOM 356 CG PHE A 22 6.878 -1.186 -7.606 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.724 -1.206 -6.847 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.759 -2.251 -7.506 1.00 0.00 C ATOM 359 CE1 PHE A 22 5.450 -2.262 -6.004 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.492 -3.312 -6.663 1.00 0.00 C ATOM 361 CZ PHE A 22 6.335 -3.319 -5.911 1.00 0.00 C ATOM 0 H PHE A 22 6.331 2.494 -8.648 1.00 0.00 H new ATOM 0 HA PHE A 22 8.034 0.914 -6.823 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.244 0.242 -9.038 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.861 -0.379 -9.302 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.027 -0.384 -6.915 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.665 -2.251 -8.094 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.544 -2.263 -5.416 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.188 -4.135 -6.592 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.122 -4.148 -5.252 1.00 0.00 H new ATOM 371 N PRO A 23 10.162 1.104 -8.270 1.00 0.00 N ATOM 372 CA PRO A 23 11.415 1.428 -8.964 1.00 0.00 C ATOM 373 C PRO A 23 11.358 1.108 -10.457 1.00 0.00 C ATOM 374 O PRO A 23 12.149 1.629 -11.244 1.00 0.00 O ATOM 375 CB PRO A 23 12.454 0.543 -8.267 1.00 0.00 C ATOM 376 CG PRO A 23 11.854 0.212 -6.946 1.00 0.00 C ATOM 377 CD PRO A 23 10.375 0.136 -7.182 1.00 0.00 C ATOM 0 HA PRO A 23 11.640 2.493 -8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.656 -0.358 -8.846 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.403 1.066 -8.150 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.239 -0.734 -6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.094 0.974 -6.205 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.063 -0.868 -7.469 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.810 0.402 -6.289 1.00 0.00 H new ATOM 385 N SER A 24 10.425 0.249 -10.844 1.00 0.00 N ATOM 386 CA SER A 24 10.269 -0.123 -12.241 1.00 0.00 C ATOM 387 C SER A 24 9.234 0.772 -12.925 1.00 0.00 C ATOM 388 O SER A 24 9.558 1.493 -13.868 1.00 0.00 O ATOM 389 CB SER A 24 9.863 -1.594 -12.355 1.00 0.00 C ATOM 390 OG SER A 24 10.763 -2.429 -11.638 1.00 0.00 O ATOM 0 H SER A 24 9.766 -0.202 -10.210 1.00 0.00 H new ATOM 0 HA SER A 24 11.226 0.015 -12.744 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.852 -1.727 -11.969 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.845 -1.889 -13.404 1.00 0.00 H new ATOM 0 HG SER A 24 10.482 -3.364 -11.725 1.00 0.00 H new ATOM 396 N LYS A 25 7.998 0.748 -12.430 1.00 0.00 N ATOM 397 CA LYS A 25 6.929 1.545 -13.026 1.00 0.00 C ATOM 398 C LYS A 25 5.960 2.053 -11.966 1.00 0.00 C ATOM 399 O LYS A 25 6.056 1.696 -10.793 1.00 0.00 O ATOM 400 CB LYS A 25 6.161 0.727 -14.069 1.00 0.00 C ATOM 401 CG LYS A 25 5.530 -0.542 -13.516 1.00 0.00 C ATOM 402 CD LYS A 25 4.795 -1.313 -14.602 1.00 0.00 C ATOM 403 CE LYS A 25 4.441 -2.724 -14.156 1.00 0.00 C ATOM 404 NZ LYS A 25 3.445 -2.736 -13.053 1.00 0.00 N ATOM 0 H LYS A 25 7.714 0.190 -11.625 1.00 0.00 H new ATOM 0 HA LYS A 25 7.395 2.402 -13.512 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.379 1.351 -14.502 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.840 0.460 -14.879 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.303 -1.174 -13.078 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.836 -0.286 -12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.884 -0.779 -14.873 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.415 -1.360 -15.497 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.046 -3.282 -15.005 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.346 -3.237 -13.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.198 -3.719 -12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.849 -2.271 -12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.589 -2.226 -13.352 1.00 0.00 H new ATOM 418 N GLN A 26 5.024 2.882 -12.398 1.00 0.00 N ATOM 419 CA GLN A 26 4.005 3.428 -11.516 1.00 0.00 C ATOM 420 C GLN A 26 2.628 2.933 -11.941 1.00 0.00 C ATOM 421 O GLN A 26 2.352 2.800 -13.134 1.00 0.00 O ATOM 422 CB GLN A 26 4.030 4.957 -11.562 1.00 0.00 C ATOM 423 CG GLN A 26 3.021 5.611 -10.634 1.00 0.00 C ATOM 424 CD GLN A 26 2.789 7.071 -10.965 1.00 0.00 C ATOM 425 OE1 GLN A 26 3.485 7.949 -10.469 1.00 0.00 O ATOM 426 NE2 GLN A 26 1.795 7.340 -11.793 1.00 0.00 N ATOM 0 H GLN A 26 4.949 3.195 -13.366 1.00 0.00 H new ATOM 0 HA GLN A 26 4.212 3.096 -10.499 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.030 5.304 -11.300 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.837 5.284 -12.584 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.075 5.073 -10.695 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.370 5.526 -9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.238 6.581 -12.185 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.584 8.307 -12.040 1.00 0.00 H new ATOM 435 N PHE A 27 1.772 2.655 -10.968 1.00 0.00 N ATOM 436 CA PHE A 27 0.397 2.258 -11.246 1.00 0.00 C ATOM 437 C PHE A 27 -0.497 2.607 -10.060 1.00 0.00 C ATOM 438 O PHE A 27 -0.013 3.060 -9.024 1.00 0.00 O ATOM 439 CB PHE A 27 0.317 0.759 -11.572 1.00 0.00 C ATOM 440 CG PHE A 27 0.849 -0.136 -10.487 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.203 -0.420 -10.402 1.00 0.00 C ATOM 442 CD2 PHE A 27 -0.008 -0.703 -9.558 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.690 -1.247 -9.411 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.474 -1.531 -8.564 1.00 0.00 C ATOM 445 CZ PHE A 27 1.824 -1.804 -8.490 1.00 0.00 C ATOM 0 H PHE A 27 2.005 2.697 -9.976 1.00 0.00 H new ATOM 0 HA PHE A 27 0.044 2.807 -12.119 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.723 0.496 -11.768 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.872 0.568 -12.490 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.885 0.011 -11.120 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.066 -0.495 -9.612 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.748 -1.459 -9.355 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.205 -1.965 -7.845 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.203 -2.452 -7.714 1.00 0.00 H new ATOM 455 N THR A 28 -1.795 2.415 -10.214 1.00 0.00 N ATOM 456 CA THR A 28 -2.742 2.743 -9.160 1.00 0.00 C ATOM 457 C THR A 28 -3.557 1.510 -8.784 1.00 0.00 C ATOM 458 O THR A 28 -3.935 0.720 -9.649 1.00 0.00 O ATOM 459 CB THR A 28 -3.693 3.865 -9.608 1.00 0.00 C ATOM 460 OG1 THR A 28 -2.970 4.835 -10.385 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.334 4.551 -8.410 1.00 0.00 C ATOM 0 H THR A 28 -2.219 2.033 -11.059 1.00 0.00 H new ATOM 0 HA THR A 28 -2.177 3.086 -8.293 1.00 0.00 H new ATOM 0 HB THR A 28 -4.482 3.419 -10.214 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.580 5.547 -10.670 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.001 5.340 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.903 3.821 -7.834 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.557 4.984 -7.780 1.00 0.00 H new ATOM 469 N VAL A 29 -3.815 1.343 -7.497 1.00 0.00 N ATOM 470 CA VAL A 29 -4.566 0.193 -7.010 1.00 0.00 C ATOM 471 C VAL A 29 -5.799 0.655 -6.247 1.00 0.00 C ATOM 472 O VAL A 29 -5.731 1.610 -5.470 1.00 0.00 O ATOM 473 CB VAL A 29 -3.700 -0.702 -6.089 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.434 -1.978 -5.709 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.380 -1.035 -6.756 1.00 0.00 C ATOM 0 H VAL A 29 -3.515 1.990 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.867 -0.394 -7.878 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.501 -0.142 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.799 -2.584 -5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.354 -1.725 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.676 -2.541 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.786 -1.664 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.568 -1.566 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.836 -0.114 -6.966 1.00 0.00 H new ATOM 485 N GLU A 30 -6.927 -0.005 -6.485 1.00 0.00 N ATOM 486 CA GLU A 30 -8.153 0.302 -5.762 1.00 0.00 C ATOM 487 C GLU A 30 -8.239 -0.526 -4.500 1.00 0.00 C ATOM 488 O GLU A 30 -8.433 -1.743 -4.547 1.00 0.00 O ATOM 489 CB GLU A 30 -9.386 0.047 -6.617 1.00 0.00 C ATOM 490 CG GLU A 30 -9.430 0.897 -7.863 1.00 0.00 C ATOM 491 CD GLU A 30 -10.678 0.664 -8.682 1.00 0.00 C ATOM 492 OE1 GLU A 30 -10.901 -0.480 -9.135 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.452 1.623 -8.869 1.00 0.00 O ATOM 0 H GLU A 30 -7.017 -0.754 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.124 1.361 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.412 -1.005 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.279 0.239 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.375 1.949 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.553 0.684 -8.475 1.00 0.00 H new ATOM 500 N VAL A 31 -8.094 0.139 -3.381 1.00 0.00 N ATOM 501 CA VAL A 31 -8.115 -0.528 -2.088 1.00 0.00 C ATOM 502 C VAL A 31 -9.054 0.193 -1.131 1.00 0.00 C ATOM 503 O VAL A 31 -9.212 1.412 -1.200 1.00 0.00 O ATOM 504 CB VAL A 31 -6.696 -0.621 -1.470 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.777 -1.441 -2.361 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.117 0.765 -1.241 1.00 0.00 C ATOM 0 H VAL A 31 -7.959 1.149 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.479 -1.543 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.777 -1.122 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.786 -1.495 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.180 -2.448 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.705 -0.970 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.121 0.676 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.052 1.294 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.761 1.321 -0.560 1.00 0.00 H new ATOM 516 N ASP A 32 -9.709 -0.570 -0.274 1.00 0.00 N ATOM 517 CA ASP A 32 -10.578 0.001 0.746 1.00 0.00 C ATOM 518 C ASP A 32 -9.741 0.833 1.713 1.00 0.00 C ATOM 519 O ASP A 32 -8.612 0.464 2.031 1.00 0.00 O ATOM 520 CB ASP A 32 -11.306 -1.117 1.500 1.00 0.00 C ATOM 521 CG ASP A 32 -12.471 -0.616 2.329 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.260 0.245 3.207 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.606 -1.088 2.106 1.00 0.00 O ATOM 0 H ASP A 32 -9.657 -1.589 -0.262 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.323 0.641 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.669 -1.854 0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.598 -1.628 2.152 1.00 0.00 H new ATOM 528 N ARG A 33 -10.274 1.952 2.182 1.00 0.00 N ATOM 529 CA ARG A 33 -9.515 2.812 3.080 1.00 0.00 C ATOM 530 C ARG A 33 -9.415 2.184 4.470 1.00 0.00 C ATOM 531 O ARG A 33 -8.568 2.569 5.275 1.00 0.00 O ATOM 532 CB ARG A 33 -10.125 4.217 3.160 1.00 0.00 C ATOM 533 CG ARG A 33 -11.465 4.286 3.874 1.00 0.00 C ATOM 534 CD ARG A 33 -12.049 5.687 3.802 1.00 0.00 C ATOM 535 NE ARG A 33 -11.106 6.706 4.268 1.00 0.00 N ATOM 536 CZ ARG A 33 -10.861 7.847 3.624 1.00 0.00 C ATOM 537 NH1 ARG A 33 -11.519 8.138 2.509 1.00 0.00 N ATOM 538 NH2 ARG A 33 -9.966 8.705 4.102 1.00 0.00 N ATOM 0 H ARG A 33 -11.213 2.282 1.961 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.509 2.912 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.422 4.875 3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.247 4.604 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.158 3.576 3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.341 3.993 4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.338 5.905 2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.956 5.732 4.405 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.606 6.532 5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.214 7.488 2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.329 9.012 2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.464 8.491 4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.781 9.577 3.607 1.00 0.00 H new ATOM 552 N THR A 34 -10.271 1.206 4.744 1.00 0.00 N ATOM 553 CA THR A 34 -10.213 0.485 6.006 1.00 0.00 C ATOM 554 C THR A 34 -9.450 -0.823 5.835 1.00 0.00 C ATOM 555 O THR A 34 -9.433 -1.669 6.729 1.00 0.00 O ATOM 556 CB THR A 34 -11.620 0.191 6.572 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.398 -0.560 5.630 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.342 1.484 6.917 1.00 0.00 C ATOM 0 H THR A 34 -11.009 0.897 4.112 1.00 0.00 H new ATOM 0 HA THR A 34 -9.691 1.126 6.717 1.00 0.00 H new ATOM 0 HB THR A 34 -11.498 -0.399 7.481 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.574 -0.009 4.839 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.331 1.254 7.314 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.769 2.032 7.665 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.444 2.094 6.020 1.00 0.00 H new ATOM 566 N GLU A 35 -8.814 -0.981 4.681 1.00 0.00 N ATOM 567 CA GLU A 35 -8.037 -2.175 4.396 1.00 0.00 C ATOM 568 C GLU A 35 -6.734 -2.157 5.188 1.00 0.00 C ATOM 569 O GLU A 35 -6.173 -1.094 5.466 1.00 0.00 O ATOM 570 CB GLU A 35 -7.756 -2.284 2.894 1.00 0.00 C ATOM 571 CG GLU A 35 -6.968 -3.524 2.495 1.00 0.00 C ATOM 572 CD GLU A 35 -7.649 -4.816 2.904 1.00 0.00 C ATOM 573 OE1 GLU A 35 -7.490 -5.236 4.072 1.00 0.00 O ATOM 574 OE2 GLU A 35 -8.318 -5.434 2.052 1.00 0.00 O ATOM 0 H GLU A 35 -8.823 -0.294 3.927 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.613 -3.049 4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.705 -2.282 2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.206 -1.399 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.822 -3.523 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.979 -3.481 2.951 1.00 0.00 H new ATOM 581 N THR A 36 -6.273 -3.340 5.554 1.00 0.00 N ATOM 582 CA THR A 36 -5.059 -3.490 6.334 1.00 0.00 C ATOM 583 C THR A 36 -3.820 -3.460 5.444 1.00 0.00 C ATOM 584 O THR A 36 -3.870 -3.858 4.276 1.00 0.00 O ATOM 585 CB THR A 36 -5.089 -4.804 7.132 1.00 0.00 C ATOM 586 OG1 THR A 36 -5.422 -5.896 6.259 1.00 0.00 O ATOM 587 CG2 THR A 36 -6.105 -4.724 8.264 1.00 0.00 C ATOM 0 H THR A 36 -6.729 -4.222 5.319 1.00 0.00 H new ATOM 0 HA THR A 36 -5.008 -2.649 7.026 1.00 0.00 H new ATOM 0 HB THR A 36 -4.101 -4.969 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.438 -6.731 6.771 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.110 -5.664 8.816 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.836 -3.910 8.937 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.097 -4.541 7.851 1.00 0.00 H new ATOM 595 N VAL A 37 -2.711 -2.996 6.007 1.00 0.00 N ATOM 596 CA VAL A 37 -1.456 -2.870 5.272 1.00 0.00 C ATOM 597 C VAL A 37 -0.997 -4.215 4.706 1.00 0.00 C ATOM 598 O VAL A 37 -0.428 -4.278 3.612 1.00 0.00 O ATOM 599 CB VAL A 37 -0.346 -2.287 6.174 1.00 0.00 C ATOM 600 CG1 VAL A 37 0.969 -2.168 5.422 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.767 -0.935 6.722 1.00 0.00 C ATOM 0 H VAL A 37 -2.655 -2.698 6.981 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.640 -2.189 4.441 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.195 -2.973 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.730 -1.755 6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.283 -3.154 5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.839 -1.510 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.025 -0.537 7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.950 -0.248 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.679 -1.048 7.309 1.00 0.00 H new ATOM 611 N SER A 38 -1.260 -5.286 5.440 1.00 0.00 N ATOM 612 CA SER A 38 -0.846 -6.616 5.013 1.00 0.00 C ATOM 613 C SER A 38 -1.560 -7.015 3.722 1.00 0.00 C ATOM 614 O SER A 38 -0.980 -7.670 2.855 1.00 0.00 O ATOM 615 CB SER A 38 -1.129 -7.641 6.115 1.00 0.00 C ATOM 616 OG SER A 38 -0.131 -8.649 6.142 1.00 0.00 O ATOM 0 H SER A 38 -1.756 -5.262 6.331 1.00 0.00 H new ATOM 0 HA SER A 38 0.227 -6.596 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.170 -7.139 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.106 -8.096 5.951 1.00 0.00 H new ATOM 0 HG SER A 38 0.755 -8.234 6.078 1.00 0.00 H new ATOM 622 N SER A 39 -2.811 -6.588 3.588 1.00 0.00 N ATOM 623 CA SER A 39 -3.607 -6.912 2.419 1.00 0.00 C ATOM 624 C SER A 39 -3.228 -5.979 1.276 1.00 0.00 C ATOM 625 O SER A 39 -3.323 -6.339 0.106 1.00 0.00 O ATOM 626 CB SER A 39 -5.098 -6.802 2.752 1.00 0.00 C ATOM 627 OG SER A 39 -5.920 -7.180 1.656 1.00 0.00 O ATOM 0 H SER A 39 -3.294 -6.015 4.280 1.00 0.00 H new ATOM 0 HA SER A 39 -3.408 -7.938 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.325 -7.435 3.610 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.330 -5.777 3.042 1.00 0.00 H new ATOM 0 HG SER A 39 -6.851 -7.251 1.954 1.00 0.00 H new ATOM 633 N LEU A 40 -2.785 -4.776 1.633 1.00 0.00 N ATOM 634 CA LEU A 40 -2.317 -3.811 0.651 1.00 0.00 C ATOM 635 C LEU A 40 -1.142 -4.399 -0.134 1.00 0.00 C ATOM 636 O LEU A 40 -1.157 -4.434 -1.365 1.00 0.00 O ATOM 637 CB LEU A 40 -1.880 -2.519 1.344 1.00 0.00 C ATOM 638 CG LEU A 40 -1.732 -1.317 0.419 1.00 0.00 C ATOM 639 CD1 LEU A 40 -3.080 -0.959 -0.170 1.00 0.00 C ATOM 640 CD2 LEU A 40 -1.140 -0.130 1.162 1.00 0.00 C ATOM 0 H LEU A 40 -2.742 -4.449 2.598 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.133 -3.584 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.606 -2.276 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.927 -2.695 1.843 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.048 -1.578 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.971 -0.099 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.466 -1.806 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.775 -0.714 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.044 0.715 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.794 0.144 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.157 -0.397 1.549 1.00 0.00 H new ATOM 652 N LYS A 41 -0.137 -4.886 0.599 1.00 0.00 N ATOM 653 CA LYS A 41 1.034 -5.514 -0.013 1.00 0.00 C ATOM 654 C LYS A 41 0.650 -6.805 -0.719 1.00 0.00 C ATOM 655 O LYS A 41 1.244 -7.164 -1.732 1.00 0.00 O ATOM 656 CB LYS A 41 2.110 -5.810 1.036 1.00 0.00 C ATOM 657 CG LYS A 41 2.823 -4.570 1.545 1.00 0.00 C ATOM 658 CD LYS A 41 3.827 -4.903 2.638 1.00 0.00 C ATOM 659 CE LYS A 41 3.124 -5.344 3.906 1.00 0.00 C ATOM 660 NZ LYS A 41 4.070 -5.875 4.926 1.00 0.00 N ATOM 0 H LYS A 41 -0.112 -4.857 1.618 1.00 0.00 H new ATOM 0 HA LYS A 41 1.435 -4.812 -0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.651 -6.326 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.845 -6.491 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.336 -4.081 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.089 -3.861 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.495 -5.693 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.446 -4.030 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.577 -4.500 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.389 -6.111 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.635 -6.683 5.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.946 -6.184 4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.290 -5.129 5.617 1.00 0.00 H new ATOM 674 N ASP A 42 -0.343 -7.495 -0.175 1.00 0.00 N ATOM 675 CA ASP A 42 -0.831 -8.739 -0.766 1.00 0.00 C ATOM 676 C ASP A 42 -1.280 -8.506 -2.206 1.00 0.00 C ATOM 677 O ASP A 42 -0.917 -9.258 -3.112 1.00 0.00 O ATOM 678 CB ASP A 42 -1.988 -9.299 0.069 1.00 0.00 C ATOM 679 CG ASP A 42 -2.567 -10.581 -0.494 1.00 0.00 C ATOM 680 OD1 ASP A 42 -2.003 -11.666 -0.221 1.00 0.00 O ATOM 681 OD2 ASP A 42 -3.597 -10.513 -1.197 1.00 0.00 O ATOM 0 H ASP A 42 -0.829 -7.216 0.677 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.018 -9.465 -0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.639 -9.482 1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.777 -8.550 0.133 1.00 0.00 H new ATOM 686 N LYS A 43 -2.038 -7.434 -2.411 1.00 0.00 N ATOM 687 CA LYS A 43 -2.547 -7.091 -3.737 1.00 0.00 C ATOM 688 C LYS A 43 -1.413 -6.657 -4.660 1.00 0.00 C ATOM 689 O LYS A 43 -1.400 -7.012 -5.841 1.00 0.00 O ATOM 690 CB LYS A 43 -3.608 -5.995 -3.632 1.00 0.00 C ATOM 691 CG LYS A 43 -4.756 -6.371 -2.715 1.00 0.00 C ATOM 692 CD LYS A 43 -5.847 -5.319 -2.713 1.00 0.00 C ATOM 693 CE LYS A 43 -6.902 -5.622 -1.663 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.486 -6.983 -1.832 1.00 0.00 N ATOM 0 H LYS A 43 -2.315 -6.785 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.008 -7.980 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.143 -5.080 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.999 -5.779 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.174 -7.327 -3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.381 -6.506 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.410 -4.339 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.313 -5.273 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.459 -5.538 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.696 -4.877 -1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.312 -7.086 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.780 -7.114 -2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.774 -7.699 -1.584 1.00 0.00 H new ATOM 708 N ILE A 44 -0.462 -5.898 -4.124 1.00 0.00 N ATOM 709 CA ILE A 44 0.726 -5.521 -4.880 1.00 0.00 C ATOM 710 C ILE A 44 1.499 -6.766 -5.308 1.00 0.00 C ATOM 711 O ILE A 44 2.021 -6.824 -6.410 1.00 0.00 O ATOM 712 CB ILE A 44 1.646 -4.593 -4.057 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.870 -3.358 -3.582 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.852 -4.175 -4.884 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.679 -2.426 -2.704 1.00 0.00 C ATOM 0 H ILE A 44 -0.491 -5.533 -3.172 1.00 0.00 H new ATOM 0 HA ILE A 44 0.396 -4.978 -5.766 1.00 0.00 H new ATOM 0 HB ILE A 44 1.998 -5.139 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.517 -2.806 -4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.013 -3.685 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.491 -3.521 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.414 -5.060 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.516 -3.643 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.062 -1.577 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.010 -2.961 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.548 -2.068 -3.257 1.00 0.00 H new ATOM 727 N HIS A 45 1.539 -7.771 -4.437 1.00 0.00 N ATOM 728 CA HIS A 45 2.196 -9.040 -4.748 1.00 0.00 C ATOM 729 C HIS A 45 1.476 -9.770 -5.886 1.00 0.00 C ATOM 730 O HIS A 45 2.092 -10.523 -6.638 1.00 0.00 O ATOM 731 CB HIS A 45 2.239 -9.929 -3.498 1.00 0.00 C ATOM 732 CG HIS A 45 2.911 -11.252 -3.716 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.278 -11.404 -3.740 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.391 -12.485 -3.921 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.572 -12.674 -3.950 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.444 -13.351 -4.063 1.00 0.00 N ATOM 0 H HIS A 45 1.123 -7.732 -3.507 1.00 0.00 H new ATOM 0 HA HIS A 45 3.214 -8.825 -5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.759 -9.395 -2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.220 -10.103 -3.152 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.958 -10.654 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.342 -12.739 -3.965 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.567 -13.089 -4.018 1.00 0.00 H new ATOM 745 N ILE A 46 0.169 -9.569 -5.985 1.00 0.00 N ATOM 746 CA ILE A 46 -0.620 -10.185 -7.048 1.00 0.00 C ATOM 747 C ILE A 46 -0.326 -9.523 -8.391 1.00 0.00 C ATOM 748 O ILE A 46 -0.060 -10.200 -9.388 1.00 0.00 O ATOM 749 CB ILE A 46 -2.131 -10.078 -6.753 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.446 -10.699 -5.394 1.00 0.00 C ATOM 751 CG2 ILE A 46 -2.942 -10.758 -7.848 1.00 0.00 C ATOM 752 CD1 ILE A 46 -3.841 -10.401 -4.906 1.00 0.00 C ATOM 0 H ILE A 46 -0.369 -8.985 -5.344 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.340 -11.237 -7.092 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.406 -9.023 -6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.315 -11.779 -5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.727 -10.333 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.005 -10.671 -7.621 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.735 -10.279 -8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.668 -11.811 -7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.996 -10.873 -3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.970 -9.323 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.567 -10.791 -5.619 1.00 0.00 H new ATOM 764 N VAL A 47 -0.377 -8.200 -8.407 1.00 0.00 N ATOM 765 CA VAL A 47 -0.120 -7.436 -9.619 1.00 0.00 C ATOM 766 C VAL A 47 1.358 -7.493 -9.981 1.00 0.00 C ATOM 767 O VAL A 47 1.726 -7.851 -11.102 1.00 0.00 O ATOM 768 CB VAL A 47 -0.548 -5.960 -9.454 1.00 0.00 C ATOM 769 CG1 VAL A 47 -0.219 -5.154 -10.705 1.00 0.00 C ATOM 770 CG2 VAL A 47 -2.033 -5.866 -9.128 1.00 0.00 C ATOM 0 H VAL A 47 -0.595 -7.630 -7.590 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.710 -7.884 -10.419 1.00 0.00 H new ATOM 0 HB VAL A 47 0.014 -5.535 -8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.530 -4.119 -10.563 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.855 -5.188 -10.888 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.746 -5.577 -11.560 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.315 -4.819 -9.016 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.612 -6.313 -9.936 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.236 -6.398 -8.199 1.00 0.00 H new ATOM 780 N GLU A 48 2.191 -7.162 -9.014 1.00 0.00 N ATOM 781 CA GLU A 48 3.625 -7.111 -9.200 1.00 0.00 C ATOM 782 C GLU A 48 4.283 -8.328 -8.560 1.00 0.00 C ATOM 783 O GLU A 48 4.097 -8.591 -7.373 1.00 0.00 O ATOM 784 CB GLU A 48 4.166 -5.824 -8.579 1.00 0.00 C ATOM 785 CG GLU A 48 3.734 -4.568 -9.312 1.00 0.00 C ATOM 786 CD GLU A 48 4.184 -4.541 -10.758 1.00 0.00 C ATOM 787 OE1 GLU A 48 5.289 -4.035 -11.032 1.00 0.00 O ATOM 788 OE2 GLU A 48 3.426 -5.003 -11.635 1.00 0.00 O ATOM 0 H GLU A 48 1.888 -6.919 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 48 3.854 -7.121 -10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.833 -5.763 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.255 -5.868 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.648 -4.488 -9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.136 -3.696 -8.796 1.00 0.00 H new ATOM 795 N ASN A 49 5.054 -9.067 -9.343 1.00 0.00 N ATOM 796 CA ASN A 49 5.686 -10.283 -8.846 1.00 0.00 C ATOM 797 C ASN A 49 6.911 -9.939 -8.001 1.00 0.00 C ATOM 798 O ASN A 49 8.056 -10.133 -8.417 1.00 0.00 O ATOM 799 CB ASN A 49 6.069 -11.211 -10.004 1.00 0.00 C ATOM 800 CG ASN A 49 6.354 -12.634 -9.547 1.00 0.00 C ATOM 801 OD1 ASN A 49 6.771 -12.871 -8.413 1.00 0.00 O ATOM 802 ND2 ASN A 49 6.135 -13.592 -10.435 1.00 0.00 N ATOM 0 H ASN A 49 5.257 -8.850 -10.319 1.00 0.00 H new ATOM 0 HA ASN A 49 4.969 -10.809 -8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.262 -11.224 -10.736 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.950 -10.812 -10.508 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.312 -14.566 -10.189 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.789 -13.356 -11.365 1.00 0.00 H new ATOM 809 N THR A 50 6.649 -9.385 -6.831 1.00 0.00 N ATOM 810 CA THR A 50 7.684 -9.044 -5.878 1.00 0.00 C ATOM 811 C THR A 50 7.290 -9.536 -4.487 1.00 0.00 C ATOM 812 O THR A 50 6.169 -9.298 -4.026 1.00 0.00 O ATOM 813 CB THR A 50 7.935 -7.518 -5.847 1.00 0.00 C ATOM 814 OG1 THR A 50 8.399 -7.070 -7.131 1.00 0.00 O ATOM 815 CG2 THR A 50 8.957 -7.140 -4.781 1.00 0.00 C ATOM 0 H THR A 50 5.706 -9.159 -6.516 1.00 0.00 H new ATOM 0 HA THR A 50 8.608 -9.533 -6.189 1.00 0.00 H new ATOM 0 HB THR A 50 6.990 -7.033 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.554 -6.103 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.108 -6.061 -4.788 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.592 -7.449 -3.801 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.903 -7.640 -4.990 1.00 0.00 H new ATOM 823 N PRO A 51 8.186 -10.282 -3.830 1.00 0.00 N ATOM 824 CA PRO A 51 7.972 -10.762 -2.465 1.00 0.00 C ATOM 825 C PRO A 51 7.607 -9.635 -1.500 1.00 0.00 C ATOM 826 O PRO A 51 8.231 -8.570 -1.499 1.00 0.00 O ATOM 827 CB PRO A 51 9.324 -11.374 -2.083 1.00 0.00 C ATOM 828 CG PRO A 51 9.959 -11.744 -3.377 1.00 0.00 C ATOM 829 CD PRO A 51 9.468 -10.741 -4.387 1.00 0.00 C ATOM 0 HA PRO A 51 7.140 -11.464 -2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.938 -10.662 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.195 -12.247 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.046 -11.718 -3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.685 -12.758 -3.670 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.171 -9.916 -4.506 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.338 -11.194 -5.370 1.00 0.00 H new ATOM 837 N ILE A 52 6.607 -9.894 -0.667 1.00 0.00 N ATOM 838 CA ILE A 52 6.143 -8.932 0.327 1.00 0.00 C ATOM 839 C ILE A 52 7.235 -8.679 1.368 1.00 0.00 C ATOM 840 O ILE A 52 7.227 -7.671 2.075 1.00 0.00 O ATOM 841 CB ILE A 52 4.853 -9.447 1.012 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.735 -9.594 -0.026 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.410 -8.517 2.134 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.471 -10.215 0.524 1.00 0.00 C ATOM 0 H ILE A 52 6.095 -10.776 -0.661 1.00 0.00 H new ATOM 0 HA ILE A 52 5.917 -7.992 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 52 5.068 -10.421 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.498 -8.611 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.098 -10.203 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.502 -8.908 2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.197 -8.452 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.213 -7.525 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.726 -10.286 -0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.692 -11.212 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.083 -9.595 1.332 1.00 0.00 H new ATOM 856 N LYS A 53 8.188 -9.602 1.435 1.00 0.00 N ATOM 857 CA LYS A 53 9.328 -9.482 2.337 1.00 0.00 C ATOM 858 C LYS A 53 10.251 -8.337 1.918 1.00 0.00 C ATOM 859 O LYS A 53 10.954 -7.769 2.748 1.00 0.00 O ATOM 860 CB LYS A 53 10.127 -10.787 2.356 1.00 0.00 C ATOM 861 CG LYS A 53 9.308 -12.007 2.736 1.00 0.00 C ATOM 862 CD LYS A 53 10.187 -13.241 2.823 1.00 0.00 C ATOM 863 CE LYS A 53 9.378 -14.498 3.096 1.00 0.00 C ATOM 864 NZ LYS A 53 8.599 -14.401 4.356 1.00 0.00 N ATOM 0 H LYS A 53 8.193 -10.450 0.869 1.00 0.00 H new ATOM 0 HA LYS A 53 8.938 -9.271 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.564 -10.948 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.954 -10.684 3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.817 -11.837 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.521 -12.167 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.738 -13.360 1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.925 -13.106 3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.698 -14.678 2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.049 -15.355 3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.186 -15.328 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.227 -14.105 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.838 -13.702 4.241 1.00 0.00 H new ATOM 878 N ARG A 54 10.244 -8.005 0.630 1.00 0.00 N ATOM 879 CA ARG A 54 11.168 -7.006 0.100 1.00 0.00 C ATOM 880 C ARG A 54 10.539 -5.622 0.048 1.00 0.00 C ATOM 881 O ARG A 54 11.157 -4.633 0.444 1.00 0.00 O ATOM 882 CB ARG A 54 11.636 -7.386 -1.306 1.00 0.00 C ATOM 883 CG ARG A 54 12.575 -8.577 -1.352 1.00 0.00 C ATOM 884 CD ARG A 54 13.079 -8.820 -2.764 1.00 0.00 C ATOM 885 NE ARG A 54 14.015 -9.942 -2.834 1.00 0.00 N ATOM 886 CZ ARG A 54 14.107 -10.769 -3.874 1.00 0.00 C ATOM 887 NH1 ARG A 54 13.342 -10.587 -4.947 1.00 0.00 N ATOM 888 NH2 ARG A 54 14.989 -11.761 -3.847 1.00 0.00 N ATOM 0 H ARG A 54 9.614 -8.410 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 54 12.020 -6.980 0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.762 -7.603 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.135 -6.527 -1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.420 -8.404 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.059 -9.466 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.232 -9.015 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.568 -7.918 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 54 14.634 -10.100 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.681 -9.811 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.417 -11.223 -5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.591 -11.886 -3.033 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.065 -12.398 -4.640 1.00 0.00 H new ATOM 902 N MET A 55 9.322 -5.552 -0.459 1.00 0.00 N ATOM 903 CA MET A 55 8.672 -4.269 -0.683 1.00 0.00 C ATOM 904 C MET A 55 8.069 -3.710 0.601 1.00 0.00 C ATOM 905 O MET A 55 7.165 -4.298 1.198 1.00 0.00 O ATOM 906 CB MET A 55 7.612 -4.384 -1.781 1.00 0.00 C ATOM 907 CG MET A 55 6.545 -5.429 -1.526 1.00 0.00 C ATOM 908 SD MET A 55 5.434 -5.612 -2.930 1.00 0.00 S ATOM 909 CE MET A 55 4.297 -6.834 -2.295 1.00 0.00 C ATOM 0 H MET A 55 8.764 -6.364 -0.723 1.00 0.00 H new ATOM 0 HA MET A 55 9.436 -3.566 -1.015 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.129 -3.414 -1.904 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.109 -4.614 -2.724 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.019 -6.387 -1.311 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.970 -5.153 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.456 -6.940 -2.981 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.809 -7.791 -2.198 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.931 -6.517 -1.318 1.00 0.00 H new ATOM 919 N GLN A 56 8.592 -2.570 1.023 1.00 0.00 N ATOM 920 CA GLN A 56 8.109 -1.904 2.220 1.00 0.00 C ATOM 921 C GLN A 56 7.412 -0.606 1.832 1.00 0.00 C ATOM 922 O GLN A 56 7.936 0.174 1.032 1.00 0.00 O ATOM 923 CB GLN A 56 9.270 -1.630 3.172 1.00 0.00 C ATOM 924 CG GLN A 56 8.848 -1.479 4.623 1.00 0.00 C ATOM 925 CD GLN A 56 10.035 -1.309 5.547 1.00 0.00 C ATOM 926 OE1 GLN A 56 10.469 -0.192 5.814 1.00 0.00 O ATOM 927 NE2 GLN A 56 10.580 -2.412 6.028 1.00 0.00 N ATOM 0 H GLN A 56 9.355 -2.085 0.551 1.00 0.00 H new ATOM 0 HA GLN A 56 7.394 -2.548 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.991 -2.444 3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.781 -0.721 2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.187 -0.617 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.276 -2.355 4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.190 -3.322 5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.390 -2.353 6.645 1.00 0.00 H new ATOM 936 N LEU A 57 6.235 -0.378 2.397 1.00 0.00 N ATOM 937 CA LEU A 57 5.392 0.735 1.982 1.00 0.00 C ATOM 938 C LEU A 57 5.688 1.988 2.802 1.00 0.00 C ATOM 939 O LEU A 57 5.912 1.911 4.012 1.00 0.00 O ATOM 940 CB LEU A 57 3.917 0.371 2.148 1.00 0.00 C ATOM 941 CG LEU A 57 3.505 -1.021 1.670 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.038 -1.259 1.978 1.00 0.00 C ATOM 943 CD2 LEU A 57 3.767 -1.201 0.182 1.00 0.00 C ATOM 0 H LEU A 57 5.842 -0.949 3.145 1.00 0.00 H new ATOM 0 HA LEU A 57 5.609 0.939 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.659 0.461 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.320 1.108 1.610 1.00 0.00 H new ATOM 0 HG LEU A 57 4.110 -1.754 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.751 -2.253 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.875 -1.185 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.433 -0.510 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.462 -2.202 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.197 -0.461 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.830 -1.069 -0.019 1.00 0.00 H new ATOM 955 N TYR A 58 5.691 3.135 2.139 1.00 0.00 N ATOM 956 CA TYR A 58 5.848 4.417 2.810 1.00 0.00 C ATOM 957 C TYR A 58 4.784 5.400 2.333 1.00 0.00 C ATOM 958 O TYR A 58 4.461 5.453 1.149 1.00 0.00 O ATOM 959 CB TYR A 58 7.240 5.001 2.560 1.00 0.00 C ATOM 960 CG TYR A 58 8.332 4.371 3.396 1.00 0.00 C ATOM 961 CD1 TYR A 58 8.941 3.185 3.007 1.00 0.00 C ATOM 962 CD2 TYR A 58 8.753 4.969 4.577 1.00 0.00 C ATOM 963 CE1 TYR A 58 9.940 2.614 3.770 1.00 0.00 C ATOM 964 CE2 TYR A 58 9.750 4.404 5.345 1.00 0.00 C ATOM 965 CZ TYR A 58 10.341 3.226 4.938 1.00 0.00 C ATOM 966 OH TYR A 58 11.341 2.659 5.696 1.00 0.00 O ATOM 0 H TYR A 58 5.585 3.204 1.127 1.00 0.00 H new ATOM 0 HA TYR A 58 5.729 4.251 3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.489 4.881 1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.215 6.072 2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.628 2.702 2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.292 5.891 4.899 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.405 1.692 3.453 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.066 4.882 6.261 1.00 0.00 H new ATOM 0 HH TYR A 58 11.108 1.730 5.903 1.00 0.00 H new ATOM 976 N TYR A 59 4.245 6.168 3.262 1.00 0.00 N ATOM 977 CA TYR A 59 3.230 7.159 2.952 1.00 0.00 C ATOM 978 C TYR A 59 3.596 8.498 3.583 1.00 0.00 C ATOM 979 O TYR A 59 3.600 8.630 4.806 1.00 0.00 O ATOM 980 CB TYR A 59 1.867 6.684 3.456 1.00 0.00 C ATOM 981 CG TYR A 59 0.754 7.685 3.248 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.446 8.158 1.980 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.010 8.154 4.322 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.573 9.069 1.786 1.00 0.00 C ATOM 985 CE2 TYR A 59 -1.012 9.066 4.137 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.300 9.519 2.865 1.00 0.00 C ATOM 987 OH TYR A 59 -2.320 10.422 2.672 1.00 0.00 O ATOM 0 H TYR A 59 4.497 6.123 4.249 1.00 0.00 H new ATOM 0 HA TYR A 59 3.176 7.289 1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.607 5.755 2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.943 6.456 4.519 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.013 7.807 1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.233 7.801 5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.799 9.427 0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.582 9.422 4.982 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.734 10.637 3.534 1.00 0.00 H new ATOM 997 N SER A 60 3.900 9.480 2.736 1.00 0.00 N ATOM 998 CA SER A 60 4.358 10.798 3.182 1.00 0.00 C ATOM 999 C SER A 60 5.678 10.670 3.951 1.00 0.00 C ATOM 1000 O SER A 60 6.753 10.641 3.349 1.00 0.00 O ATOM 1001 CB SER A 60 3.285 11.497 4.034 1.00 0.00 C ATOM 1002 OG SER A 60 3.643 12.841 4.321 1.00 0.00 O ATOM 0 H SER A 60 3.836 9.386 1.722 1.00 0.00 H new ATOM 0 HA SER A 60 4.533 11.417 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.331 11.478 3.507 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.145 10.950 4.966 1.00 0.00 H new ATOM 0 HG SER A 60 2.940 13.258 4.862 1.00 0.00 H new ATOM 1008 N GLY A 61 5.590 10.578 5.271 1.00 0.00 N ATOM 1009 CA GLY A 61 6.762 10.323 6.086 1.00 0.00 C ATOM 1010 C GLY A 61 6.539 9.149 7.016 1.00 0.00 C ATOM 1011 O GLY A 61 7.370 8.845 7.876 1.00 0.00 O ATOM 0 H GLY A 61 4.721 10.676 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.619 10.123 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.002 11.212 6.670 1.00 0.00 H new ATOM 1015 N ILE A 62 5.411 8.484 6.825 1.00 0.00 N ATOM 1016 CA ILE A 62 5.007 7.363 7.658 1.00 0.00 C ATOM 1017 C ILE A 62 5.346 6.052 6.969 1.00 0.00 C ATOM 1018 O ILE A 62 5.010 5.855 5.803 1.00 0.00 O ATOM 1019 CB ILE A 62 3.488 7.394 7.921 1.00 0.00 C ATOM 1020 CG1 ILE A 62 3.066 8.767 8.438 1.00 0.00 C ATOM 1021 CG2 ILE A 62 3.093 6.305 8.911 1.00 0.00 C ATOM 1022 CD1 ILE A 62 1.570 8.966 8.458 1.00 0.00 C ATOM 0 H ILE A 62 4.747 8.708 6.084 1.00 0.00 H new ATOM 0 HA ILE A 62 5.542 7.442 8.604 1.00 0.00 H new ATOM 0 HB ILE A 62 2.971 7.205 6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.457 8.903 9.446 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.519 9.537 7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.017 6.343 9.084 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.361 5.330 8.505 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.618 6.462 9.853 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.340 9.962 8.836 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.176 8.862 7.447 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.112 8.218 9.105 1.00 0.00 H new ATOM 1034 N GLU A 63 6.016 5.166 7.677 1.00 0.00 N ATOM 1035 CA GLU A 63 6.290 3.842 7.151 1.00 0.00 C ATOM 1036 C GLU A 63 5.118 2.918 7.454 1.00 0.00 C ATOM 1037 O GLU A 63 4.587 2.907 8.566 1.00 0.00 O ATOM 1038 CB GLU A 63 7.593 3.263 7.729 1.00 0.00 C ATOM 1039 CG GLU A 63 7.578 3.031 9.235 1.00 0.00 C ATOM 1040 CD GLU A 63 7.534 4.319 10.032 1.00 0.00 C ATOM 1041 OE1 GLU A 63 8.571 5.006 10.121 1.00 0.00 O ATOM 1042 OE2 GLU A 63 6.456 4.665 10.552 1.00 0.00 O ATOM 0 H GLU A 63 6.380 5.336 8.614 1.00 0.00 H new ATOM 0 HA GLU A 63 6.418 3.923 6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.805 2.316 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.413 3.940 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.713 2.420 9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.465 2.465 9.519 1.00 0.00 H new ATOM 1049 N LEU A 64 4.696 2.160 6.467 1.00 0.00 N ATOM 1050 CA LEU A 64 3.617 1.217 6.664 1.00 0.00 C ATOM 1051 C LEU A 64 4.207 -0.125 7.073 1.00 0.00 C ATOM 1052 O LEU A 64 4.100 -1.121 6.358 1.00 0.00 O ATOM 1053 CB LEU A 64 2.764 1.091 5.397 1.00 0.00 C ATOM 1054 CG LEU A 64 2.177 2.407 4.876 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.258 2.153 3.693 1.00 0.00 C ATOM 1056 CD2 LEU A 64 1.431 3.140 5.980 1.00 0.00 C ATOM 0 H LEU A 64 5.081 2.177 5.523 1.00 0.00 H new ATOM 0 HA LEU A 64 2.958 1.573 7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.373 0.646 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.945 0.399 5.596 1.00 0.00 H new ATOM 0 HG LEU A 64 3.002 3.037 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.852 3.100 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.821 1.676 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.441 1.500 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.023 4.071 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.618 2.514 6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.117 3.361 6.798 1.00 0.00 H new ATOM 1068 N ALA A 65 4.865 -0.122 8.227 1.00 0.00 N ATOM 1069 CA ALA A 65 5.572 -1.293 8.720 1.00 0.00 C ATOM 1070 C ALA A 65 4.635 -2.232 9.465 1.00 0.00 C ATOM 1071 O ALA A 65 4.897 -3.431 9.570 1.00 0.00 O ATOM 1072 CB ALA A 65 6.724 -0.869 9.618 1.00 0.00 C ATOM 0 H ALA A 65 4.922 0.689 8.843 1.00 0.00 H new ATOM 0 HA ALA A 65 5.971 -1.834 7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.247 -1.754 9.982 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.416 -0.246 9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.336 -0.303 10.465 1.00 0.00 H new ATOM 1078 N ASP A 66 3.539 -1.690 9.978 1.00 0.00 N ATOM 1079 CA ASP A 66 2.583 -2.494 10.725 1.00 0.00 C ATOM 1080 C ASP A 66 1.484 -3.024 9.821 1.00 0.00 C ATOM 1081 O ASP A 66 0.603 -2.288 9.382 1.00 0.00 O ATOM 1082 CB ASP A 66 1.998 -1.713 11.901 1.00 0.00 C ATOM 1083 CG ASP A 66 2.911 -1.749 13.111 1.00 0.00 C ATOM 1084 OD1 ASP A 66 3.997 -2.361 13.027 1.00 0.00 O ATOM 1085 OD2 ASP A 66 2.537 -1.187 14.160 1.00 0.00 O ATOM 0 H ASP A 66 3.291 -0.704 9.891 1.00 0.00 H new ATOM 0 HA ASP A 66 3.122 -3.350 11.131 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.831 -0.678 11.603 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.026 -2.129 12.166 1.00 0.00 H new ATOM 1090 N ASP A 67 1.557 -4.320 9.565 1.00 0.00 N ATOM 1091 CA ASP A 67 0.661 -5.004 8.640 1.00 0.00 C ATOM 1092 C ASP A 67 -0.782 -5.032 9.133 1.00 0.00 C ATOM 1093 O ASP A 67 -1.722 -4.976 8.336 1.00 0.00 O ATOM 1094 CB ASP A 67 1.149 -6.438 8.438 1.00 0.00 C ATOM 1095 CG ASP A 67 2.290 -6.536 7.446 1.00 0.00 C ATOM 1096 OD1 ASP A 67 3.413 -6.108 7.772 1.00 0.00 O ATOM 1097 OD2 ASP A 67 2.066 -7.046 6.326 1.00 0.00 O ATOM 0 H ASP A 67 2.246 -4.935 9.997 1.00 0.00 H new ATOM 0 HA ASP A 67 0.675 -4.450 7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.471 -6.846 9.396 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.319 -7.054 8.092 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.948 -5.112 10.443 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.261 -5.322 11.045 1.00 0.00 C ATOM 1104 C TYR A 68 -3.096 -4.045 11.089 1.00 0.00 C ATOM 1105 O TYR A 68 -4.300 -4.098 11.339 1.00 0.00 O ATOM 1106 CB TYR A 68 -2.108 -5.895 12.457 1.00 0.00 C ATOM 1107 CG TYR A 68 -1.238 -5.057 13.368 1.00 0.00 C ATOM 1108 CD1 TYR A 68 0.143 -5.184 13.344 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -1.797 -4.138 14.245 1.00 0.00 C ATOM 1110 CE1 TYR A 68 0.944 -4.418 14.165 1.00 0.00 C ATOM 1111 CE2 TYR A 68 -1.003 -3.364 15.069 1.00 0.00 C ATOM 1112 CZ TYR A 68 0.366 -3.508 15.028 1.00 0.00 C ATOM 1113 OH TYR A 68 1.158 -2.731 15.845 1.00 0.00 O ATOM 0 H TYR A 68 -0.186 -5.034 11.117 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.792 -6.034 10.413 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.096 -5.996 12.906 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.685 -6.897 12.388 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.599 -5.895 12.671 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.870 -4.026 14.284 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.018 -4.529 14.133 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.454 -2.650 15.742 1.00 0.00 H new ATOM 0 HH TYR A 68 1.595 -2.035 15.311 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.474 -2.899 10.845 1.00 0.00 N ATOM 1124 CA ARG A 69 -3.199 -1.640 10.916 1.00 0.00 C ATOM 1125 C ARG A 69 -3.867 -1.321 9.590 1.00 0.00 C ATOM 1126 O ARG A 69 -3.412 -1.755 8.529 1.00 0.00 O ATOM 1127 CB ARG A 69 -2.284 -0.484 11.327 1.00 0.00 C ATOM 1128 CG ARG A 69 -1.658 -0.654 12.699 1.00 0.00 C ATOM 1129 CD ARG A 69 -1.732 0.632 13.511 1.00 0.00 C ATOM 1130 NE ARG A 69 -3.112 0.980 13.860 1.00 0.00 N ATOM 1131 CZ ARG A 69 -3.628 0.850 15.085 1.00 0.00 C ATOM 1132 NH1 ARG A 69 -2.879 0.399 16.087 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -4.896 1.173 15.314 1.00 0.00 N ATOM 0 H ARG A 69 -1.487 -2.816 10.601 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.967 -1.757 11.681 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.491 -0.380 10.587 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.857 0.443 11.312 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.168 -1.454 13.236 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.617 -0.957 12.590 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.144 0.520 14.422 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.285 1.447 12.942 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.715 1.344 13.122 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.904 0.150 15.923 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.280 0.302 17.020 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.479 1.522 14.553 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.287 1.072 16.251 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.960 -0.581 9.668 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.684 -0.149 8.484 1.00 0.00 C ATOM 1149 C ASN A 70 -5.003 1.071 7.889 1.00 0.00 C ATOM 1150 O ASN A 70 -4.331 1.816 8.602 1.00 0.00 O ATOM 1151 CB ASN A 70 -7.141 0.196 8.834 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.881 -0.970 9.463 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.588 -2.129 9.186 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.837 -0.674 10.324 1.00 0.00 N ATOM 0 H ASN A 70 -5.369 -0.264 10.547 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.683 -0.963 7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.155 1.043 9.520 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.664 0.509 7.930 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.359 -1.420 10.783 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.054 0.301 10.530 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.173 1.279 6.593 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.669 2.485 5.945 1.00 0.00 C ATOM 1163 C LEU A 71 -5.314 3.713 6.587 1.00 0.00 C ATOM 1164 O LEU A 71 -4.710 4.783 6.694 1.00 0.00 O ATOM 1165 CB LEU A 71 -4.971 2.441 4.445 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.449 1.201 3.714 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -4.775 1.292 2.234 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -2.950 1.039 3.928 1.00 0.00 C ATOM 0 H LEU A 71 -5.654 0.632 5.968 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.588 2.543 6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.051 2.498 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.542 3.327 3.977 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.943 0.321 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.399 0.405 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.855 1.356 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.305 2.180 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.601 0.152 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.431 1.917 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.744 0.932 4.993 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.548 3.517 7.026 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.305 4.508 7.777 1.00 0.00 C ATOM 1182 C ASN A 72 -6.559 4.969 9.032 1.00 0.00 C ATOM 1183 O ASN A 72 -6.620 6.141 9.402 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.657 3.906 8.146 1.00 0.00 C ATOM 1185 CG ASN A 72 -9.396 4.667 9.226 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -10.150 5.599 8.946 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -9.204 4.258 10.468 1.00 0.00 N ATOM 0 H ASN A 72 -7.061 2.650 6.868 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.443 5.392 7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.281 3.865 7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.507 2.878 8.478 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.690 4.719 11.238 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.570 3.481 10.657 1.00 0.00 H new ATOM 1194 N GLU A 73 -5.828 4.048 9.659 1.00 0.00 N ATOM 1195 CA GLU A 73 -5.138 4.334 10.918 1.00 0.00 C ATOM 1196 C GLU A 73 -4.022 5.356 10.716 1.00 0.00 C ATOM 1197 O GLU A 73 -3.609 6.031 11.658 1.00 0.00 O ATOM 1198 CB GLU A 73 -4.538 3.055 11.506 1.00 0.00 C ATOM 1199 CG GLU A 73 -5.505 1.884 11.577 1.00 0.00 C ATOM 1200 CD GLU A 73 -6.748 2.182 12.383 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -6.665 2.169 13.626 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -7.810 2.410 11.772 1.00 0.00 O ATOM 0 H GLU A 73 -5.698 3.096 9.316 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.876 4.744 11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.676 2.763 10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.170 3.268 12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.796 1.600 10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.994 1.026 12.014 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.533 5.453 9.486 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.442 6.361 9.168 1.00 0.00 C ATOM 1211 C TYR A 74 -2.979 7.646 8.549 1.00 0.00 C ATOM 1212 O TYR A 74 -2.262 8.639 8.435 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.457 5.689 8.207 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.962 4.340 8.684 1.00 0.00 C ATOM 1215 CD1 TYR A 74 -0.012 4.239 9.693 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.444 3.167 8.119 1.00 0.00 C ATOM 1217 CE1 TYR A 74 0.445 3.005 10.122 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.995 1.932 8.544 1.00 0.00 C ATOM 1219 CZ TYR A 74 -0.052 1.855 9.543 1.00 0.00 C ATOM 1220 OH TYR A 74 0.397 0.626 9.969 1.00 0.00 O ATOM 0 H TYR A 74 -3.876 4.912 8.692 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.921 6.610 10.092 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.937 5.567 7.236 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.601 6.348 8.059 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.376 5.138 10.150 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.183 3.221 7.333 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.186 2.942 10.905 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.383 1.030 8.094 1.00 0.00 H new ATOM 0 HH TYR A 74 0.946 0.217 9.267 1.00 0.00 H new ATOM 1230 N GLY A 75 -4.248 7.622 8.166 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.855 8.779 7.543 1.00 0.00 C ATOM 1232 C GLY A 75 -4.587 8.835 6.054 1.00 0.00 C ATOM 1233 O GLY A 75 -4.347 9.907 5.499 1.00 0.00 O ATOM 0 H GLY A 75 -4.868 6.820 8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.931 8.760 7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.473 9.685 8.013 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.616 7.679 5.406 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.386 7.604 3.972 1.00 0.00 C ATOM 1239 C ILE A 76 -5.655 7.985 3.213 1.00 0.00 C ATOM 1240 O ILE A 76 -6.693 7.336 3.349 1.00 0.00 O ATOM 1241 CB ILE A 76 -3.910 6.193 3.558 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.595 5.861 4.272 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -3.740 6.103 2.048 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -1.987 4.539 3.864 1.00 0.00 C ATOM 0 H ILE A 76 -4.797 6.780 5.852 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.598 8.312 3.716 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.666 5.465 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.876 6.656 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.771 5.851 5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.404 5.102 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.693 6.309 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.000 6.834 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.060 4.380 4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.685 3.733 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.777 4.550 2.795 1.00 0.00 H new ATOM 1256 N THR A 77 -5.569 9.045 2.422 1.00 0.00 N ATOM 1257 CA THR A 77 -6.738 9.594 1.753 1.00 0.00 C ATOM 1258 C THR A 77 -6.795 9.168 0.278 1.00 0.00 C ATOM 1259 O THR A 77 -5.968 8.382 -0.188 1.00 0.00 O ATOM 1260 CB THR A 77 -6.749 11.139 1.873 1.00 0.00 C ATOM 1261 OG1 THR A 77 -8.017 11.669 1.463 1.00 0.00 O ATOM 1262 CG2 THR A 77 -5.641 11.768 1.035 1.00 0.00 C ATOM 0 H THR A 77 -4.700 9.542 2.228 1.00 0.00 H new ATOM 0 HA THR A 77 -7.624 9.195 2.246 1.00 0.00 H new ATOM 0 HB THR A 77 -6.576 11.386 2.921 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.006 12.645 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.676 12.852 1.141 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.673 11.401 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.781 11.501 -0.012 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.785 9.692 -0.441 1.00 0.00 N ATOM 1271 CA GLU A 78 -8.006 9.366 -1.846 1.00 0.00 C ATOM 1272 C GLU A 78 -6.866 9.898 -2.722 1.00 0.00 C ATOM 1273 O GLU A 78 -6.381 11.014 -2.510 1.00 0.00 O ATOM 1274 CB GLU A 78 -9.351 9.958 -2.290 1.00 0.00 C ATOM 1275 CG GLU A 78 -9.686 9.737 -3.757 1.00 0.00 C ATOM 1276 CD GLU A 78 -9.828 8.276 -4.125 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -10.905 7.698 -3.882 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -8.869 7.703 -4.677 1.00 0.00 O ATOM 0 H GLU A 78 -8.459 10.358 -0.063 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.027 8.282 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.143 9.524 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.346 11.029 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.615 10.256 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.906 10.185 -4.372 1.00 0.00 H new ATOM 1285 N PHE A 79 -6.452 9.087 -3.699 1.00 0.00 N ATOM 1286 CA PHE A 79 -5.368 9.436 -4.622 1.00 0.00 C ATOM 1287 C PHE A 79 -4.098 9.782 -3.861 1.00 0.00 C ATOM 1288 O PHE A 79 -3.483 10.824 -4.082 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.777 10.583 -5.551 1.00 0.00 C ATOM 1290 CG PHE A 79 -6.863 10.208 -6.517 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -6.648 9.225 -7.470 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -8.096 10.835 -6.471 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -7.646 8.875 -8.357 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -9.097 10.488 -7.356 1.00 0.00 C ATOM 1295 CZ PHE A 79 -8.871 9.506 -8.301 1.00 0.00 C ATOM 0 H PHE A 79 -6.859 8.168 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.165 8.562 -5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.112 11.427 -4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.903 10.918 -6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.690 8.728 -7.519 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.277 11.604 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.468 8.107 -9.095 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -10.055 10.984 -7.310 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.652 9.233 -8.995 1.00 0.00 H new ATOM 1305 N SER A 80 -3.714 8.895 -2.965 1.00 0.00 N ATOM 1306 CA SER A 80 -2.530 9.085 -2.154 1.00 0.00 C ATOM 1307 C SER A 80 -1.352 8.330 -2.752 1.00 0.00 C ATOM 1308 O SER A 80 -1.524 7.255 -3.325 1.00 0.00 O ATOM 1309 CB SER A 80 -2.814 8.600 -0.739 1.00 0.00 C ATOM 1310 OG SER A 80 -3.541 7.386 -0.766 1.00 0.00 O ATOM 0 H SER A 80 -4.213 8.025 -2.779 1.00 0.00 H new ATOM 0 HA SER A 80 -2.272 10.144 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.876 8.457 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.380 9.357 -0.196 1.00 0.00 H new ATOM 0 HG SER A 80 -4.489 7.569 -0.599 1.00 0.00 H new ATOM 1316 N GLU A 81 -0.163 8.893 -2.627 1.00 0.00 N ATOM 1317 CA GLU A 81 1.025 8.258 -3.166 1.00 0.00 C ATOM 1318 C GLU A 81 1.660 7.337 -2.141 1.00 0.00 C ATOM 1319 O GLU A 81 2.003 7.755 -1.035 1.00 0.00 O ATOM 1320 CB GLU A 81 2.045 9.294 -3.633 1.00 0.00 C ATOM 1321 CG GLU A 81 1.757 9.868 -5.011 1.00 0.00 C ATOM 1322 CD GLU A 81 0.536 10.762 -5.039 1.00 0.00 C ATOM 1323 OE1 GLU A 81 0.595 11.871 -4.468 1.00 0.00 O ATOM 1324 OE2 GLU A 81 -0.481 10.365 -5.647 1.00 0.00 O ATOM 0 H GLU A 81 0.004 9.784 -2.159 1.00 0.00 H new ATOM 0 HA GLU A 81 0.714 7.667 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.076 10.109 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.034 8.837 -3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.623 10.436 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.617 9.049 -5.717 1.00 0.00 H new ATOM 1331 N ILE A 82 1.804 6.085 -2.523 1.00 0.00 N ATOM 1332 CA ILE A 82 2.449 5.095 -1.687 1.00 0.00 C ATOM 1333 C ILE A 82 3.813 4.767 -2.267 1.00 0.00 C ATOM 1334 O ILE A 82 3.923 4.200 -3.357 1.00 0.00 O ATOM 1335 CB ILE A 82 1.614 3.802 -1.567 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.212 4.112 -1.035 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.315 2.793 -0.665 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.203 4.819 0.305 1.00 0.00 C ATOM 0 H ILE A 82 1.478 5.726 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 82 2.549 5.515 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 82 1.516 3.366 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.313 4.730 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.346 3.180 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.711 1.888 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.290 2.546 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.446 3.222 0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.826 5.003 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.698 4.195 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.731 5.769 0.219 1.00 0.00 H new ATOM 1350 N VAL A 83 4.846 5.147 -1.546 1.00 0.00 N ATOM 1351 CA VAL A 83 6.205 4.942 -2.005 1.00 0.00 C ATOM 1352 C VAL A 83 6.686 3.566 -1.580 1.00 0.00 C ATOM 1353 O VAL A 83 6.877 3.306 -0.393 1.00 0.00 O ATOM 1354 CB VAL A 83 7.166 6.013 -1.446 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.554 5.860 -2.048 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.621 7.410 -1.702 1.00 0.00 C ATOM 0 H VAL A 83 4.771 5.601 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 83 6.203 5.022 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 83 7.245 5.869 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.214 6.625 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.949 4.873 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.495 5.972 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.313 8.150 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.507 7.565 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.652 7.517 -1.215 1.00 0.00 H new ATOM 1366 N VAL A 84 6.858 2.679 -2.541 1.00 0.00 N ATOM 1367 CA VAL A 84 7.291 1.328 -2.240 1.00 0.00 C ATOM 1368 C VAL A 84 8.800 1.205 -2.400 1.00 0.00 C ATOM 1369 O VAL A 84 9.327 1.246 -3.515 1.00 0.00 O ATOM 1370 CB VAL A 84 6.591 0.288 -3.137 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.049 -1.118 -2.789 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.080 0.397 -3.011 1.00 0.00 C ATOM 0 H VAL A 84 6.706 2.868 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 84 7.015 1.124 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 84 6.867 0.495 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.542 -1.836 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.126 -1.196 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.807 -1.332 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.607 -0.346 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.788 0.222 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.761 1.394 -3.314 1.00 0.00 H new ATOM 1382 N PHE A 85 9.489 1.070 -1.280 1.00 0.00 N ATOM 1383 CA PHE A 85 10.927 0.874 -1.289 1.00 0.00 C ATOM 1384 C PHE A 85 11.240 -0.610 -1.305 1.00 0.00 C ATOM 1385 O PHE A 85 10.861 -1.341 -0.387 1.00 0.00 O ATOM 1386 CB PHE A 85 11.580 1.529 -0.070 1.00 0.00 C ATOM 1387 CG PHE A 85 11.753 3.016 -0.189 1.00 0.00 C ATOM 1388 CD1 PHE A 85 12.810 3.543 -0.912 1.00 0.00 C ATOM 1389 CD2 PHE A 85 10.869 3.884 0.426 1.00 0.00 C ATOM 1390 CE1 PHE A 85 12.983 4.909 -1.019 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.036 5.253 0.323 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.093 5.766 -0.401 1.00 0.00 C ATOM 0 H PHE A 85 9.073 1.093 -0.349 1.00 0.00 H new ATOM 0 HA PHE A 85 11.332 1.344 -2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.976 1.314 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.556 1.073 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.508 2.877 -1.398 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.039 3.488 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.813 5.307 -1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.340 5.920 0.809 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.224 6.835 -0.484 1.00 0.00 H new ATOM 1402 N LEU A 86 11.912 -1.055 -2.353 1.00 0.00 N ATOM 1403 CA LEU A 86 12.273 -2.453 -2.475 1.00 0.00 C ATOM 1404 C LEU A 86 13.571 -2.716 -1.742 1.00 0.00 C ATOM 1405 O LEU A 86 14.633 -2.231 -2.132 1.00 0.00 O ATOM 1406 CB LEU A 86 12.387 -2.864 -3.943 1.00 0.00 C ATOM 1407 CG LEU A 86 11.104 -2.682 -4.751 1.00 0.00 C ATOM 1408 CD1 LEU A 86 11.194 -3.427 -6.072 1.00 0.00 C ATOM 1409 CD2 LEU A 86 9.903 -3.143 -3.941 1.00 0.00 C ATOM 0 H LEU A 86 12.217 -0.468 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 86 11.485 -3.055 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.182 -2.282 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.688 -3.911 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 86 10.977 -1.623 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.270 -3.285 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.033 -3.041 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.343 -4.490 -5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.995 -3.008 -4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.018 -4.197 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.834 -2.555 -3.026 1.00 0.00 H new ATOM 1421 N LYS A 87 13.465 -3.451 -0.655 1.00 0.00 N ATOM 1422 CA LYS A 87 14.609 -3.737 0.178 1.00 0.00 C ATOM 1423 C LYS A 87 14.960 -5.206 0.089 1.00 0.00 C ATOM 1424 O LYS A 87 14.178 -6.074 0.480 1.00 0.00 O ATOM 1425 CB LYS A 87 14.305 -3.335 1.616 1.00 0.00 C ATOM 1426 CG LYS A 87 13.718 -1.941 1.709 1.00 0.00 C ATOM 1427 CD LYS A 87 13.561 -1.482 3.139 1.00 0.00 C ATOM 1428 CE LYS A 87 12.927 -0.102 3.188 1.00 0.00 C ATOM 1429 NZ LYS A 87 12.806 0.428 4.573 1.00 0.00 N ATOM 0 H LYS A 87 12.591 -3.863 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 87 15.467 -3.162 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.608 -4.051 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.220 -3.382 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.360 -1.242 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.746 -1.924 1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.944 -2.192 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.534 -1.459 3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.523 0.588 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.938 -0.145 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.511 1.425 4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.097 -0.125 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.725 0.355 5.054 1.00 0.00 H new