USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 641 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 Single : A 20 THR OG1 : rot -70:sc= -2.57! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= -0.77 (180deg=-1.39) USER MOD Single : A 34 SER OG : rot 110:sc= -1.84 USER MOD Single : A 36 SER OG : rot -66:sc= 0.432 USER MOD Single : A 38 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.7!) USER MOD Single : A 39 ASN : amide:sc= -0.0983 K(o=-0.098,f=-1) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00907 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 1.2 (180deg=1.06) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -100:sc= -1.73! USER MOD Single : A 50 HIS : no HD1:sc=-0.00886 X(o=-0.0089,f=-0.0089) USER MOD Single : A 51 ASN : amide:sc= -0.79 K(o=-0.79,f=-2.1) USER MOD Single : A 64 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-0.68) USER MOD Single : A 65 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.8!) USER MOD Single : A 66 TYR OH : rot -178:sc= -0.327 USER MOD Single : A 67 LYS NZ :NH3+ -148:sc= -0.995 (180deg=-1.45) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.75! K(o=-1.7!,f=-0.7) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.95) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A 91 ASN : amide:sc= -0.485 K(o=-0.48,f=-1.6!) USER MOD Single : A 92 ASN : amide:sc= -2.4 X(o=-2.4,f=-2.6!) USER MOD Single : A 95 HIS : no HE2:sc= -1.92 K(o=-1.9,f=-8.1!) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -0.0106 (180deg=-0.195) USER MOD Single : A 98 LYS NZ :NH3+ 148:sc= 0.222 (180deg=0.00748) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.587 38.490 9.211 1.00 33.52 N ATOM 244 CA ARG A 18 7.509 37.558 10.330 1.00 13.22 C ATOM 245 C ARG A 18 6.953 36.212 9.877 1.00 32.13 C ATOM 246 O ARG A 18 5.770 36.072 9.567 1.00 45.04 O ATOM 247 CB ARG A 18 6.631 38.137 11.441 1.00 74.21 C ATOM 248 CG ARG A 18 7.019 37.662 12.833 1.00 51.14 C ATOM 249 CD ARG A 18 6.744 36.178 13.012 1.00 72.54 C ATOM 250 NE ARG A 18 7.018 35.731 14.376 1.00 24.34 N ATOM 251 CZ ARG A 18 6.232 36.005 15.410 1.00 34.35 C ATOM 252 NH1 ARG A 18 5.127 36.717 15.239 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 6.549 35.562 16.622 1.00 44.41 N ATOM 0 HA ARG A 18 8.517 37.404 10.715 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.688 39.225 11.408 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.592 37.867 11.250 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.077 37.860 13.004 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.463 38.229 13.580 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.703 35.970 12.765 1.00 72.54 H new ATOM 0 HD3 ARG A 18 7.358 35.609 12.314 1.00 72.54 H new ATOM 0 HE ARG A 18 7.859 35.178 14.543 1.00 24.34 H new ATOM 0 HH11 ARG A 18 4.878 37.057 14.310 1.00 13.44 H new ATOM 0 HH12 ARG A 18 4.526 36.925 16.036 1.00 13.44 H new ATOM 0 HH21 ARG A 18 7.397 35.011 16.758 1.00 44.41 H new ATOM 0 HH22 ARG A 18 5.945 35.773 17.416 1.00 44.41 H new ATOM 267 N PRO A 19 7.827 35.194 9.837 1.00 42.30 N ATOM 268 CA PRO A 19 7.446 33.840 9.423 1.00 72.54 C ATOM 269 C PRO A 19 6.545 33.154 10.444 1.00 40.44 C ATOM 270 O PRO A 19 6.454 33.582 11.596 1.00 14.01 O ATOM 271 CB PRO A 19 8.788 33.111 9.321 1.00 10.11 C ATOM 272 CG PRO A 19 9.694 33.851 10.244 1.00 63.22 C ATOM 273 CD PRO A 19 9.253 35.288 10.193 1.00 44.21 C ATOM 0 HA PRO A 19 6.874 33.843 8.495 1.00 72.54 H new ATOM 0 HB2 PRO A 19 8.693 32.065 9.614 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.168 33.123 8.300 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.625 33.457 11.258 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.734 33.751 9.934 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.396 35.787 11.152 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.816 35.855 9.452 1.00 44.21 H new ATOM 281 N THR A 20 5.880 32.086 10.015 1.00 65.22 N ATOM 282 CA THR A 20 4.984 31.341 10.891 1.00 1.42 C ATOM 283 C THR A 20 5.287 29.848 10.847 1.00 44.04 C ATOM 284 O THR A 20 5.375 29.254 9.772 1.00 14.52 O ATOM 285 CB THR A 20 3.509 31.565 10.509 1.00 74.14 C ATOM 286 OG1 THR A 20 3.246 32.966 10.371 1.00 14.13 O ATOM 287 CG2 THR A 20 2.581 30.970 11.556 1.00 21.30 C ATOM 0 H THR A 20 5.945 31.717 9.066 1.00 65.22 H new ATOM 0 HA THR A 20 5.150 31.713 11.902 1.00 1.42 H new ATOM 0 HB THR A 20 3.324 31.065 9.558 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.274 33.392 11.253 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.545 31.141 11.263 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.763 29.898 11.637 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.769 31.443 12.520 1.00 21.30 H new ATOM 295 N VAL A 21 5.447 29.246 12.021 1.00 72.24 N ATOM 296 CA VAL A 21 5.740 27.821 12.116 1.00 21.13 C ATOM 297 C VAL A 21 4.554 27.054 12.691 1.00 13.22 C ATOM 298 O VAL A 21 3.998 27.432 13.721 1.00 54.24 O ATOM 299 CB VAL A 21 6.979 27.559 12.991 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.801 28.180 14.368 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.248 26.065 13.101 1.00 62.22 C ATOM 0 H VAL A 21 5.379 29.723 12.920 1.00 72.24 H new ATOM 0 HA VAL A 21 5.940 27.471 11.103 1.00 21.13 H new ATOM 0 HB VAL A 21 7.842 28.026 12.517 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.687 27.985 14.973 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.661 29.256 14.266 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.927 27.745 14.853 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.127 25.898 13.723 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.386 25.572 13.551 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.423 25.653 12.107 1.00 62.22 H new ATOM 311 N ILE A 22 4.173 25.973 12.018 1.00 3.43 N ATOM 312 CA ILE A 22 3.054 25.152 12.462 1.00 12.44 C ATOM 313 C ILE A 22 3.494 23.713 12.715 1.00 32.43 C ATOM 314 O ILE A 22 4.254 23.140 11.935 1.00 24.12 O ATOM 315 CB ILE A 22 1.910 25.153 11.432 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.591 26.584 10.992 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.673 24.484 12.013 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.499 26.666 9.950 1.00 60.50 C ATOM 0 H ILE A 22 4.623 25.646 11.163 1.00 3.43 H new ATOM 0 HA ILE A 22 2.693 25.589 13.393 1.00 12.44 H new ATOM 0 HB ILE A 22 2.229 24.586 10.557 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.294 27.166 11.864 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.496 27.044 10.595 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.127 24.493 11.273 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.908 23.454 12.281 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.350 25.025 12.902 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.326 27.709 9.686 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.802 26.112 9.061 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.419 26.236 10.351 1.00 60.50 H new ATOM 330 N ARG A 23 3.010 23.136 13.810 1.00 11.32 N ATOM 331 CA ARG A 23 3.353 21.764 14.165 1.00 71.41 C ATOM 332 C ARG A 23 2.133 20.855 14.060 1.00 72.25 C ATOM 333 O ARG A 23 1.055 21.187 14.552 1.00 15.13 O ATOM 334 CB ARG A 23 3.923 21.710 15.584 1.00 10.01 C ATOM 335 CG ARG A 23 4.064 20.298 16.130 1.00 51.15 C ATOM 336 CD ARG A 23 4.804 20.286 17.459 1.00 13.14 C ATOM 337 NE ARG A 23 6.160 20.814 17.336 1.00 73.24 N ATOM 338 CZ ARG A 23 7.065 20.748 18.306 1.00 1.22 C ATOM 339 NH1 ARG A 23 6.760 20.179 19.464 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 8.279 21.251 18.117 1.00 60.42 N ATOM 0 H ARG A 23 2.380 23.597 14.466 1.00 11.32 H new ATOM 0 HA ARG A 23 4.109 21.411 13.464 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.900 22.193 15.593 1.00 10.01 H new ATOM 0 HB3 ARG A 23 3.277 22.285 16.248 1.00 10.01 H new ATOM 0 HG2 ARG A 23 3.076 19.856 16.258 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.599 19.680 15.409 1.00 51.15 H new ATOM 0 HD2 ARG A 23 4.250 20.877 18.188 1.00 13.14 H new ATOM 0 HD3 ARG A 23 4.846 19.266 17.841 1.00 13.14 H new ATOM 0 HE ARG A 23 6.427 21.258 16.457 1.00 73.24 H new ATOM 0 HH11 ARG A 23 5.828 19.791 19.612 1.00 61.23 H new ATOM 0 HH12 ARG A 23 7.457 20.130 20.207 1.00 61.23 H new ATOM 0 HH21 ARG A 23 8.517 21.688 17.227 1.00 60.42 H new ATOM 0 HH22 ARG A 23 8.974 21.200 18.862 1.00 60.42 H new ATOM 354 N TRP A 24 2.312 19.707 13.416 1.00 3.23 N ATOM 355 CA TRP A 24 1.225 18.749 13.246 1.00 15.23 C ATOM 356 C TRP A 24 1.489 17.478 14.046 1.00 63.45 C ATOM 357 O TRP A 24 2.534 16.846 13.897 1.00 54.01 O ATOM 358 CB TRP A 24 1.047 18.407 11.765 1.00 72.25 C ATOM 359 CG TRP A 24 0.126 17.248 11.530 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.478 15.935 11.400 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.299 17.299 11.398 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.643 15.166 11.192 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.746 15.979 11.188 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.241 18.330 11.437 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -3.091 15.667 11.018 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.577 18.019 11.267 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.992 16.697 11.061 1.00 33.23 C ATOM 0 H TRP A 24 3.199 19.417 13.003 1.00 3.23 H new ATOM 0 HA TRP A 24 0.309 19.206 13.619 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.660 19.281 11.241 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.021 18.181 11.332 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.488 15.556 11.453 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.652 14.154 11.062 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.931 19.352 11.597 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.413 14.649 10.858 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.313 18.809 11.293 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -5.044 16.486 10.934 1.00 33.23 H new ATOM 378 N SER A 25 0.534 17.110 14.895 1.00 32.42 N ATOM 379 CA SER A 25 0.667 15.916 15.721 1.00 61.31 C ATOM 380 C SER A 25 -0.485 14.949 15.467 1.00 1.43 C ATOM 381 O SER A 25 -1.626 15.211 15.850 1.00 0.20 O ATOM 382 CB SER A 25 0.709 16.298 17.203 1.00 74.14 C ATOM 383 OG SER A 25 0.137 17.576 17.416 1.00 11.02 O ATOM 0 H SER A 25 -0.339 17.621 15.028 1.00 32.42 H new ATOM 0 HA SER A 25 1.600 15.421 15.453 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.171 15.553 17.789 1.00 74.14 H new ATOM 0 HB3 SER A 25 1.741 16.295 17.554 1.00 74.14 H new ATOM 0 HG SER A 25 0.174 17.796 18.370 1.00 11.02 H new ATOM 389 N GLU A 26 -0.179 13.830 14.818 1.00 53.04 N ATOM 390 CA GLU A 26 -1.189 12.824 14.510 1.00 60.10 C ATOM 391 C GLU A 26 -0.569 11.431 14.448 1.00 74.23 C ATOM 392 O GLU A 26 -1.106 10.475 15.003 1.00 22.33 O ATOM 393 CB GLU A 26 -1.876 13.148 13.183 1.00 62.15 C ATOM 394 CG GLU A 26 -3.204 12.434 12.994 1.00 12.22 C ATOM 395 CD GLU A 26 -4.211 12.780 14.074 1.00 34.13 C ATOM 396 OE1 GLU A 26 -4.056 13.841 14.713 1.00 23.12 O1- ATOM 397 OE2 GLU A 26 -5.155 11.988 14.279 1.00 61.43 O ATOM 0 H GLU A 26 0.760 13.597 14.495 1.00 53.04 H new ATOM 0 HA GLU A 26 -1.932 12.837 15.308 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.040 14.224 13.122 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.209 12.880 12.364 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.617 12.695 12.020 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.036 11.357 12.991 1.00 12.22 H new ATOM 404 N GLY A 27 0.568 11.327 13.765 1.00 15.14 N ATOM 405 CA GLY A 27 1.244 10.049 13.641 1.00 4.13 C ATOM 406 C GLY A 27 1.251 9.532 12.216 1.00 73.25 C ATOM 407 O GLY A 27 1.046 8.342 11.978 1.00 40.05 O ATOM 0 H GLY A 27 1.032 12.105 13.296 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.271 10.149 13.993 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.756 9.319 14.287 1.00 4.13 H new ATOM 411 N GLY A 28 1.485 10.430 11.264 1.00 1.41 N ATOM 412 CA GLY A 28 1.511 10.041 9.866 1.00 61.23 C ATOM 413 C GLY A 28 2.921 9.880 9.335 1.00 31.04 C ATOM 414 O GLY A 28 3.891 10.218 10.015 1.00 11.20 O ATOM 0 H GLY A 28 1.657 11.421 11.436 1.00 1.41 H new ATOM 0 HA2 GLY A 28 0.971 9.102 9.743 1.00 61.23 H new ATOM 0 HA3 GLY A 28 0.986 10.791 9.274 1.00 61.23 H new ATOM 418 N LYS A 29 3.038 9.359 8.119 1.00 2.02 N ATOM 419 CA LYS A 29 4.340 9.153 7.496 1.00 70.24 C ATOM 420 C LYS A 29 4.745 10.367 6.666 1.00 44.33 C ATOM 421 O LYS A 29 5.854 10.881 6.803 1.00 44.34 O ATOM 422 CB LYS A 29 4.313 7.903 6.612 1.00 33.13 C ATOM 423 CG LYS A 29 3.769 6.673 7.315 1.00 54.20 C ATOM 424 CD LYS A 29 2.329 6.394 6.915 1.00 2.42 C ATOM 425 CE LYS A 29 1.556 5.729 8.044 1.00 32.15 C ATOM 426 NZ LYS A 29 1.371 6.645 9.205 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.246 9.071 7.544 1.00 2.02 H new ATOM 0 HA LYS A 29 5.076 9.015 8.288 1.00 70.24 H new ATOM 0 HB2 LYS A 29 3.706 8.105 5.730 1.00 33.13 H new ATOM 0 HB3 LYS A 29 5.324 7.694 6.262 1.00 33.13 H new ATOM 0 HG2 LYS A 29 4.389 5.810 7.072 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.827 6.814 8.394 1.00 54.20 H new ATOM 0 HD2 LYS A 29 1.840 7.328 6.638 1.00 2.42 H new ATOM 0 HD3 LYS A 29 2.313 5.752 6.034 1.00 2.42 H new ATOM 0 HE2 LYS A 29 0.582 5.407 7.677 1.00 32.15 H new ATOM 0 HE3 LYS A 29 2.086 4.834 8.369 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 1.394 6.096 10.088 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 2.135 7.350 9.216 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 0.454 7.129 9.123 1.00 31.05 H new ATOM 440 N GLU A 30 3.838 10.820 5.807 1.00 70.41 N ATOM 441 CA GLU A 30 4.102 11.975 4.956 1.00 31.12 C ATOM 442 C GLU A 30 3.066 13.071 5.190 1.00 62.13 C ATOM 443 O GLU A 30 1.876 12.879 4.944 1.00 50.04 O ATOM 444 CB GLU A 30 4.099 11.562 3.483 1.00 52.54 C ATOM 445 CG GLU A 30 4.922 10.316 3.199 1.00 64.11 C ATOM 446 CD GLU A 30 5.502 10.306 1.798 1.00 64.32 C ATOM 447 OE1 GLU A 30 6.559 10.938 1.590 1.00 24.13 O1- ATOM 448 OE2 GLU A 30 4.899 9.667 0.910 1.00 41.54 O ATOM 0 H GLU A 30 2.914 10.406 5.682 1.00 70.41 H new ATOM 0 HA GLU A 30 5.086 12.367 5.214 1.00 31.12 H new ATOM 0 HB2 GLU A 30 3.071 11.389 3.165 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.484 12.386 2.882 1.00 52.54 H new ATOM 0 HG2 GLU A 30 5.733 10.248 3.924 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.297 9.433 3.336 1.00 64.11 H new ATOM 455 N VAL A 31 3.529 14.222 5.666 1.00 74.14 N ATOM 456 CA VAL A 31 2.644 15.350 5.933 1.00 50.44 C ATOM 457 C VAL A 31 3.032 16.563 5.095 1.00 42.45 C ATOM 458 O VAL A 31 4.215 16.847 4.906 1.00 5.15 O ATOM 459 CB VAL A 31 2.666 15.741 7.423 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.599 16.784 7.718 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.477 14.511 8.298 1.00 3.42 C ATOM 0 H VAL A 31 4.512 14.398 5.875 1.00 74.14 H new ATOM 0 HA VAL A 31 1.637 15.033 5.663 1.00 50.44 H new ATOM 0 HB VAL A 31 3.638 16.177 7.652 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.630 17.047 8.775 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.784 17.674 7.117 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.617 16.379 7.474 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.495 14.805 9.347 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.519 14.045 8.068 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.281 13.801 8.106 1.00 3.42 H new ATOM 471 N PHE A 32 2.028 17.277 4.596 1.00 3.30 N ATOM 472 CA PHE A 32 2.264 18.460 3.778 1.00 33.30 C ATOM 473 C PHE A 32 1.351 19.606 4.202 1.00 0.43 C ATOM 474 O PHE A 32 0.467 19.431 5.041 1.00 64.31 O ATOM 475 CB PHE A 32 2.041 18.136 2.299 1.00 54.22 C ATOM 476 CG PHE A 32 2.801 16.929 1.828 1.00 44.23 C ATOM 477 CD1 PHE A 32 2.280 15.657 1.995 1.00 61.04 C ATOM 478 CD2 PHE A 32 4.039 17.067 1.220 1.00 31.12 C ATOM 479 CE1 PHE A 32 2.977 14.544 1.563 1.00 62.11 C ATOM 480 CE2 PHE A 32 4.740 15.959 0.785 1.00 15.41 C ATOM 481 CZ PHE A 32 4.208 14.695 0.958 1.00 40.11 C ATOM 0 H PHE A 32 1.043 17.056 4.744 1.00 3.30 H new ATOM 0 HA PHE A 32 3.299 18.771 3.923 1.00 33.30 H new ATOM 0 HB2 PHE A 32 0.977 17.975 2.127 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.334 18.997 1.699 1.00 54.22 H new ATOM 0 HD1 PHE A 32 1.317 15.533 2.469 1.00 61.04 H new ATOM 0 HD2 PHE A 32 4.460 18.052 1.085 1.00 31.12 H new ATOM 0 HE1 PHE A 32 2.559 13.558 1.699 1.00 62.11 H new ATOM 0 HE2 PHE A 32 5.703 16.080 0.310 1.00 15.41 H new ATOM 0 HZ PHE A 32 4.755 13.827 0.620 1.00 40.11 H new ATOM 491 N ILE A 33 1.571 20.778 3.616 1.00 13.34 N ATOM 492 CA ILE A 33 0.768 21.953 3.933 1.00 72.44 C ATOM 493 C ILE A 33 0.588 22.843 2.708 1.00 11.41 C ATOM 494 O ILE A 33 1.493 22.971 1.883 1.00 13.30 O ATOM 495 CB ILE A 33 1.404 22.780 5.066 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.498 23.957 5.437 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.781 23.275 4.651 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.892 24.638 6.729 1.00 0.14 C ATOM 0 H ILE A 33 2.298 20.939 2.919 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.206 21.590 4.261 1.00 72.44 H new ATOM 0 HB ILE A 33 1.518 22.142 5.943 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.517 24.689 4.629 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.529 23.602 5.521 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.218 23.858 5.462 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.423 22.422 4.430 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.690 23.900 3.763 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.207 25.462 6.929 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.845 23.920 7.548 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.908 25.023 6.642 1.00 0.14 H new ATOM 510 N SER A 34 -0.585 23.457 2.596 1.00 74.21 N ATOM 511 CA SER A 34 -0.885 24.334 1.471 1.00 21.11 C ATOM 512 C SER A 34 -1.958 25.352 1.846 1.00 75.54 C ATOM 513 O SER A 34 -2.883 25.047 2.598 1.00 75.43 O ATOM 514 CB SER A 34 -1.345 23.512 0.266 1.00 25.35 C ATOM 515 OG SER A 34 -0.504 22.389 0.063 1.00 52.43 O ATOM 0 H SER A 34 -1.344 23.363 3.271 1.00 74.21 H new ATOM 0 HA SER A 34 0.026 24.872 1.209 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.371 23.179 0.420 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.343 24.137 -0.627 1.00 25.35 H new ATOM 0 HG SER A 34 -0.993 21.570 0.287 1.00 52.43 H new ATOM 521 N GLY A 35 -1.826 26.564 1.316 1.00 54.31 N ATOM 522 CA GLY A 35 -2.790 27.610 1.606 1.00 42.32 C ATOM 523 C GLY A 35 -2.654 28.798 0.675 1.00 45.21 C ATOM 524 O GLY A 35 -1.914 28.744 -0.307 1.00 21.03 O ATOM 0 H GLY A 35 -1.069 26.840 0.691 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.798 27.203 1.526 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.661 27.943 2.636 1.00 42.32 H new ATOM 528 N SER A 36 -3.371 29.874 0.983 1.00 75.24 N ATOM 529 CA SER A 36 -3.332 31.079 0.163 1.00 34.33 C ATOM 530 C SER A 36 -1.936 31.696 0.170 1.00 71.13 C ATOM 531 O SER A 36 -1.605 32.521 -0.681 1.00 4.31 O ATOM 532 CB SER A 36 -4.355 32.098 0.668 1.00 65.34 C ATOM 533 OG SER A 36 -5.634 31.857 0.108 1.00 13.12 O ATOM 0 H SER A 36 -3.986 29.936 1.794 1.00 75.24 H new ATOM 0 HA SER A 36 -3.582 30.801 -0.861 1.00 34.33 H new ATOM 0 HB2 SER A 36 -4.416 32.049 1.755 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.026 33.105 0.412 1.00 65.34 H new ATOM 0 HG SER A 36 -5.604 32.019 -0.858 1.00 13.12 H new ATOM 539 N PHE A 37 -1.121 31.288 1.137 1.00 23.10 N ATOM 540 CA PHE A 37 0.239 31.800 1.258 1.00 11.12 C ATOM 541 C PHE A 37 1.128 31.248 0.148 1.00 50.51 C ATOM 542 O PHE A 37 2.240 31.728 -0.067 1.00 73.12 O ATOM 543 CB PHE A 37 0.824 31.436 2.625 1.00 22.03 C ATOM 544 CG PHE A 37 0.928 29.956 2.857 1.00 62.52 C ATOM 545 CD1 PHE A 37 2.022 29.244 2.395 1.00 1.14 C ATOM 546 CD2 PHE A 37 -0.069 29.277 3.538 1.00 4.33 C ATOM 547 CE1 PHE A 37 2.120 27.881 2.606 1.00 24.12 C ATOM 548 CE2 PHE A 37 0.023 27.915 3.755 1.00 63.12 C ATOM 549 CZ PHE A 37 1.119 27.217 3.287 1.00 45.15 C ATOM 0 H PHE A 37 -1.379 30.604 1.848 1.00 23.10 H new ATOM 0 HA PHE A 37 0.202 32.885 1.164 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.815 31.881 2.717 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.203 31.875 3.406 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.808 29.759 1.863 1.00 1.14 H new ATOM 0 HD2 PHE A 37 -0.929 29.818 3.904 1.00 4.33 H new ATOM 0 HE1 PHE A 37 2.978 27.337 2.239 1.00 24.12 H new ATOM 0 HE2 PHE A 37 -0.760 27.398 4.289 1.00 63.12 H new ATOM 0 HZ PHE A 37 1.193 26.152 3.454 1.00 45.15 H new ATOM 559 N ASN A 38 0.629 30.237 -0.554 1.00 22.03 N ATOM 560 CA ASN A 38 1.378 29.618 -1.642 1.00 73.21 C ATOM 561 C ASN A 38 0.507 29.470 -2.886 1.00 65.12 C ATOM 562 O ASN A 38 0.851 28.736 -3.813 1.00 33.34 O ATOM 563 CB ASN A 38 1.907 28.248 -1.210 1.00 74.54 C ATOM 564 CG ASN A 38 3.393 28.095 -1.472 1.00 31.23 C ATOM 565 OD1 ASN A 38 4.218 28.345 -0.593 1.00 32.13 O ATOM 566 ND2 ASN A 38 3.740 27.681 -2.685 1.00 70.32 N ATOM 0 H ASN A 38 -0.291 29.828 -0.389 1.00 22.03 H new ATOM 0 HA ASN A 38 2.221 30.265 -1.885 1.00 73.21 H new ATOM 0 HB2 ASN A 38 1.711 28.104 -0.147 1.00 74.54 H new ATOM 0 HB3 ASN A 38 1.364 27.467 -1.743 1.00 74.54 H new ATOM 0 HD21 ASN A 38 4.725 27.558 -2.920 1.00 70.32 H new ATOM 0 HD22 ASN A 38 3.022 27.486 -3.382 1.00 70.32 H new ATOM 573 N ASN A 39 -0.621 30.171 -2.899 1.00 74.22 N ATOM 574 CA ASN A 39 -1.541 30.119 -4.030 1.00 43.44 C ATOM 575 C ASN A 39 -2.075 28.703 -4.230 1.00 54.22 C ATOM 576 O ASN A 39 -2.582 28.366 -5.300 1.00 61.41 O ATOM 577 CB ASN A 39 -0.844 30.599 -5.304 1.00 4.25 C ATOM 578 CG ASN A 39 -1.816 31.191 -6.306 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.766 31.880 -5.934 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.581 30.925 -7.586 1.00 32.44 N ATOM 0 H ASN A 39 -0.921 30.782 -2.139 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.382 30.779 -3.815 1.00 43.44 H new ATOM 0 HB2 ASN A 39 -0.093 31.346 -5.045 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.317 29.763 -5.764 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -2.200 31.297 -8.306 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -0.781 30.349 -7.849 1.00 32.44 H new ATOM 587 N TRP A 40 -1.959 27.881 -3.195 1.00 11.01 N ATOM 588 CA TRP A 40 -2.429 26.502 -3.257 1.00 32.51 C ATOM 589 C TRP A 40 -1.883 25.795 -4.493 1.00 23.40 C ATOM 590 O TRP A 40 -2.528 24.904 -5.044 1.00 14.41 O ATOM 591 CB TRP A 40 -3.959 26.464 -3.267 1.00 1.54 C ATOM 592 CG TRP A 40 -4.581 27.330 -2.213 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.735 28.687 -2.253 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.132 26.899 -0.964 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.347 29.124 -1.104 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.602 28.046 -0.297 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.276 25.653 -0.346 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.204 27.984 0.957 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.873 25.593 0.899 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.331 26.753 1.540 1.00 71.30 C ATOM 0 H TRP A 40 -1.543 28.145 -2.302 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.064 25.980 -2.372 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.317 26.782 -4.246 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.291 25.436 -3.125 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.422 29.322 -3.068 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.575 30.094 -0.886 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.927 24.754 -0.833 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.558 28.876 1.452 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.989 24.636 1.387 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.793 26.673 2.513 1.00 71.30 H new ATOM 611 N SER A 41 -0.692 26.198 -4.921 1.00 74.51 N ATOM 612 CA SER A 41 -0.060 25.606 -6.095 1.00 24.05 C ATOM 613 C SER A 41 0.748 24.370 -5.711 1.00 42.45 C ATOM 614 O SER A 41 0.357 23.240 -6.006 1.00 72.12 O ATOM 615 CB SER A 41 0.846 26.627 -6.784 1.00 64.43 C ATOM 616 OG SER A 41 1.854 25.985 -7.543 1.00 75.12 O ATOM 0 H SER A 41 -0.144 26.932 -4.473 1.00 74.51 H new ATOM 0 HA SER A 41 -0.847 25.305 -6.787 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.249 27.267 -7.434 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.306 27.273 -6.036 1.00 64.43 H new ATOM 0 HG SER A 41 2.418 26.660 -7.975 1.00 75.12 H new ATOM 622 N THR A 42 1.880 24.593 -5.049 1.00 73.54 N ATOM 623 CA THR A 42 2.744 23.500 -4.624 1.00 45.04 C ATOM 624 C THR A 42 2.654 23.280 -3.119 1.00 34.20 C ATOM 625 O THR A 42 2.948 24.178 -2.331 1.00 34.44 O ATOM 626 CB THR A 42 4.213 23.766 -5.005 1.00 1.10 C ATOM 627 OG1 THR A 42 5.050 22.726 -4.487 1.00 15.30 O ATOM 628 CG2 THR A 42 4.677 25.111 -4.468 1.00 52.41 C ATOM 0 H THR A 42 2.219 25.521 -4.796 1.00 73.54 H new ATOM 0 HA THR A 42 2.398 22.605 -5.140 1.00 45.04 H new ATOM 0 HB THR A 42 4.285 23.782 -6.092 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.982 22.902 -4.735 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.717 25.276 -4.750 1.00 52.41 H new ATOM 0 HG22 THR A 42 4.057 25.904 -4.887 1.00 52.41 H new ATOM 0 HG23 THR A 42 4.590 25.119 -3.382 1.00 52.41 H new ATOM 636 N LYS A 43 2.245 22.078 -2.725 1.00 53.21 N ATOM 637 CA LYS A 43 2.117 21.738 -1.313 1.00 62.12 C ATOM 638 C LYS A 43 3.489 21.552 -0.672 1.00 0.51 C ATOM 639 O LYS A 43 4.232 20.636 -1.027 1.00 42.43 O ATOM 640 CB LYS A 43 1.289 20.462 -1.148 1.00 42.01 C ATOM 641 CG LYS A 43 1.738 19.324 -2.048 1.00 13.53 C ATOM 642 CD LYS A 43 1.653 17.983 -1.338 1.00 24.00 C ATOM 643 CE LYS A 43 2.042 16.838 -2.260 1.00 21.13 C ATOM 644 NZ LYS A 43 3.483 16.486 -2.129 1.00 63.23 N1+ ATOM 0 H LYS A 43 1.997 21.323 -3.364 1.00 53.21 H new ATOM 0 HA LYS A 43 1.609 22.561 -0.811 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.343 20.136 -0.109 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.243 20.688 -1.357 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.118 19.302 -2.944 1.00 13.53 H new ATOM 0 HG3 LYS A 43 2.763 19.500 -2.374 1.00 13.53 H new ATOM 0 HD2 LYS A 43 2.309 17.989 -0.467 1.00 24.00 H new ATOM 0 HD3 LYS A 43 0.638 17.828 -0.972 1.00 24.00 H new ATOM 0 HE2 LYS A 43 1.432 15.964 -2.031 1.00 21.13 H new ATOM 0 HE3 LYS A 43 1.828 17.114 -3.292 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 3.662 15.575 -2.597 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 4.063 17.225 -2.576 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 3.732 16.412 -1.122 1.00 63.23 H new ATOM 658 N ILE A 44 3.818 22.425 0.275 1.00 50.11 N ATOM 659 CA ILE A 44 5.099 22.354 0.966 1.00 75.21 C ATOM 660 C ILE A 44 5.132 21.185 1.944 1.00 20.24 C ATOM 661 O ILE A 44 4.216 20.986 2.743 1.00 14.21 O ATOM 662 CB ILE A 44 5.398 23.657 1.730 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.884 24.741 0.766 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.431 23.408 2.819 1.00 1.53 C ATOM 665 CD1 ILE A 44 4.767 25.577 0.184 1.00 74.32 C ATOM 0 H ILE A 44 3.215 23.189 0.581 1.00 50.11 H new ATOM 0 HA ILE A 44 5.863 22.206 0.202 1.00 75.21 H new ATOM 0 HB ILE A 44 4.478 24.003 2.201 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.581 25.395 1.289 1.00 22.10 H new ATOM 0 HG13 ILE A 44 6.437 24.271 -0.047 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.632 24.339 3.350 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.049 22.665 3.520 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.353 23.041 2.369 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.185 26.325 -0.490 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.081 24.934 -0.368 1.00 74.32 H new ATOM 0 HD13 ILE A 44 4.228 26.076 0.990 1.00 74.32 H new ATOM 677 N PRO A 45 6.213 20.393 1.884 1.00 42.30 N ATOM 678 CA PRO A 45 6.393 19.231 2.759 1.00 74.53 C ATOM 679 C PRO A 45 6.646 19.631 4.209 1.00 40.33 C ATOM 680 O PRO A 45 7.443 20.528 4.486 1.00 40.12 O ATOM 681 CB PRO A 45 7.623 18.534 2.174 1.00 11.42 C ATOM 682 CG PRO A 45 8.377 19.615 1.481 1.00 55.22 C ATOM 683 CD PRO A 45 7.343 20.572 0.957 1.00 3.34 C ATOM 0 HA PRO A 45 5.504 18.602 2.789 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.225 18.070 2.956 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.337 17.743 1.480 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.060 20.116 2.167 1.00 55.22 H new ATOM 0 HG3 PRO A 45 8.981 19.210 0.669 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.707 21.599 0.961 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.062 20.337 -0.070 1.00 3.34 H new ATOM 691 N LEU A 46 5.962 18.961 5.130 1.00 54.51 N ATOM 692 CA LEU A 46 6.113 19.246 6.553 1.00 11.22 C ATOM 693 C LEU A 46 7.348 18.551 7.119 1.00 63.13 C ATOM 694 O LEU A 46 7.361 17.333 7.294 1.00 34.03 O ATOM 695 CB LEU A 46 4.867 18.799 7.318 1.00 1.32 C ATOM 696 CG LEU A 46 4.166 19.876 8.147 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.488 20.891 7.239 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.156 19.246 9.095 1.00 1.43 C ATOM 0 H LEU A 46 5.298 18.217 4.917 1.00 54.51 H new ATOM 0 HA LEU A 46 6.238 20.322 6.672 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.151 18.396 6.602 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.147 17.982 7.983 1.00 1.32 H new ATOM 0 HG LEU A 46 4.917 20.396 8.742 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.994 21.650 7.846 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.235 21.365 6.602 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.749 20.386 6.617 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.667 20.027 9.677 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.408 18.700 8.520 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.668 18.559 9.768 1.00 1.43 H new ATOM 710 N ILE A 47 8.382 19.335 7.406 1.00 41.44 N ATOM 711 CA ILE A 47 9.619 18.795 7.955 1.00 1.41 C ATOM 712 C ILE A 47 9.344 17.919 9.172 1.00 65.02 C ATOM 713 O ILE A 47 8.878 18.400 10.206 1.00 61.11 O ATOM 714 CB ILE A 47 10.594 19.918 8.355 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.862 20.839 7.163 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.896 19.328 8.877 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.431 20.121 5.960 1.00 52.21 C ATOM 0 H ILE A 47 8.387 20.346 7.267 1.00 41.44 H new ATOM 0 HA ILE A 47 10.075 18.191 7.171 1.00 1.41 H new ATOM 0 HB ILE A 47 10.139 20.507 9.151 1.00 11.35 H new ATOM 0 HG12 ILE A 47 9.931 21.329 6.877 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.554 21.623 7.469 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.575 20.134 9.156 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.691 18.709 9.750 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.357 18.718 8.100 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.596 20.836 5.154 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.378 19.654 6.230 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.730 19.355 5.628 1.00 52.21 H new ATOM 729 N LYS A 48 9.637 16.629 9.046 1.00 55.44 N ATOM 730 CA LYS A 48 9.424 15.685 10.135 1.00 2.01 C ATOM 731 C LYS A 48 10.509 15.827 11.199 1.00 4.04 C ATOM 732 O LYS A 48 11.697 15.686 10.910 1.00 74.51 O ATOM 733 CB LYS A 48 9.407 14.251 9.600 1.00 32.12 C ATOM 734 CG LYS A 48 8.886 13.234 10.600 1.00 21.33 C ATOM 735 CD LYS A 48 8.718 11.864 9.965 1.00 65.24 C ATOM 736 CE LYS A 48 10.048 11.304 9.487 1.00 55.25 C ATOM 737 NZ LYS A 48 10.387 10.022 10.164 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.023 16.213 8.198 1.00 55.44 H new ATOM 0 HA LYS A 48 8.459 15.908 10.591 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.790 14.214 8.702 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.418 13.971 9.303 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.575 13.164 11.442 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.929 13.571 10.998 1.00 21.33 H new ATOM 0 HD2 LYS A 48 8.272 11.180 10.687 1.00 65.24 H new ATOM 0 HD3 LYS A 48 8.028 11.934 9.124 1.00 65.24 H new ATOM 0 HE2 LYS A 48 10.009 11.146 8.409 1.00 55.25 H new ATOM 0 HE3 LYS A 48 10.837 12.033 9.674 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 11.301 9.674 9.810 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 10.450 10.177 11.190 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.648 9.318 9.965 1.00 34.55 H new ATOM 751 N SER A 49 10.092 16.107 12.429 1.00 14.13 N ATOM 752 CA SER A 49 11.029 16.272 13.535 1.00 33.35 C ATOM 753 C SER A 49 11.136 14.988 14.351 1.00 3.20 C ATOM 754 O SER A 49 10.531 13.970 14.012 1.00 64.42 O ATOM 755 CB SER A 49 10.588 17.428 14.435 1.00 31.23 C ATOM 756 OG SER A 49 10.121 18.523 13.669 1.00 51.25 O ATOM 0 H SER A 49 9.112 16.224 12.686 1.00 14.13 H new ATOM 0 HA SER A 49 12.010 16.499 13.118 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.800 17.089 15.107 1.00 31.23 H new ATOM 0 HB3 SER A 49 11.424 17.747 15.058 1.00 31.23 H new ATOM 0 HG SER A 49 10.826 19.200 13.603 1.00 51.25 H new ATOM 762 N HIS A 50 11.909 15.043 15.431 1.00 0.54 N ATOM 763 CA HIS A 50 12.096 13.885 16.298 1.00 22.21 C ATOM 764 C HIS A 50 10.854 13.637 17.149 1.00 65.22 C ATOM 765 O HIS A 50 10.610 12.517 17.597 1.00 14.41 O ATOM 766 CB HIS A 50 13.314 14.087 17.199 1.00 63.12 C ATOM 767 CG HIS A 50 14.529 14.568 16.467 1.00 21.12 C ATOM 768 ND1 HIS A 50 15.298 13.750 15.668 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.103 15.793 16.414 1.00 30.03 C ATOM 770 CE1 HIS A 50 16.296 14.450 15.157 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.200 15.693 15.593 1.00 44.14 N ATOM 0 H HIS A 50 12.416 15.877 15.727 1.00 0.54 H new ATOM 0 HA HIS A 50 12.262 13.012 15.666 1.00 22.21 H new ATOM 0 HB2 HIS A 50 13.063 14.805 17.980 1.00 63.12 H new ATOM 0 HB3 HIS A 50 13.548 13.145 17.695 1.00 63.12 H new ATOM 0 HD2 HIS A 50 14.762 16.683 16.922 1.00 30.03 H new ATOM 0 HE1 HIS A 50 17.060 14.070 14.495 1.00 63.42 H new ATOM 0 HE2 HIS A 50 16.837 16.455 15.358 1.00 44.14 H new ATOM 779 N ASN A 51 10.072 14.690 17.367 1.00 43.20 N ATOM 780 CA ASN A 51 8.856 14.587 18.166 1.00 41.32 C ATOM 781 C ASN A 51 7.624 14.493 17.271 1.00 42.34 C ATOM 782 O ASN A 51 6.824 13.566 17.394 1.00 61.52 O ATOM 783 CB ASN A 51 8.731 15.791 19.100 1.00 24.42 C ATOM 784 CG ASN A 51 9.066 17.098 18.407 1.00 75.52 C ATOM 785 OD1 ASN A 51 8.197 17.743 17.820 1.00 63.21 O ATOM 786 ND2 ASN A 51 10.332 17.494 18.473 1.00 63.41 N ATOM 0 H ASN A 51 10.259 15.624 17.002 1.00 43.20 H new ATOM 0 HA ASN A 51 8.920 13.678 18.764 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.715 15.840 19.491 1.00 24.42 H new ATOM 0 HB3 ASN A 51 9.395 15.655 19.954 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.618 18.365 18.026 1.00 63.41 H new ATOM 0 HD22 ASN A 51 11.018 16.927 18.971 1.00 63.41 H new ATOM 793 N ASP A 52 7.480 15.458 16.368 1.00 25.42 N ATOM 794 CA ASP A 52 6.347 15.484 15.451 1.00 63.14 C ATOM 795 C ASP A 52 6.702 16.234 14.172 1.00 70.31 C ATOM 796 O ASP A 52 7.858 16.594 13.950 1.00 74.35 O ATOM 797 CB ASP A 52 5.136 16.135 16.121 1.00 51.42 C ATOM 798 CG ASP A 52 4.759 15.455 17.422 1.00 61.33 C ATOM 799 OD1 ASP A 52 4.150 14.367 17.367 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 5.072 16.013 18.495 1.00 34.01 O ATOM 0 H ASP A 52 8.134 16.232 16.252 1.00 25.42 H new ATOM 0 HA ASP A 52 6.098 14.455 15.190 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.352 17.186 16.313 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.287 16.104 15.439 1.00 51.42 H new ATOM 805 N PHE A 53 5.699 16.466 13.331 1.00 51.12 N ATOM 806 CA PHE A 53 5.905 17.172 12.071 1.00 12.33 C ATOM 807 C PHE A 53 5.820 18.682 12.274 1.00 22.10 C ATOM 808 O PHE A 53 4.971 19.173 13.018 1.00 32.20 O ATOM 809 CB PHE A 53 4.869 16.726 11.037 1.00 64.40 C ATOM 810 CG PHE A 53 5.059 15.312 10.570 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.916 15.024 9.520 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.380 14.269 11.179 1.00 54.43 C ATOM 813 CE1 PHE A 53 6.094 13.723 9.088 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.552 12.967 10.752 1.00 14.33 C ATOM 815 CZ PHE A 53 5.410 12.693 9.704 1.00 53.35 C ATOM 0 H PHE A 53 4.736 16.176 13.499 1.00 51.12 H new ATOM 0 HA PHE A 53 6.902 16.928 11.705 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.872 16.828 11.466 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.915 17.394 10.177 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.451 15.826 9.033 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.708 14.477 11.998 1.00 54.43 H new ATOM 0 HE1 PHE A 53 6.767 13.512 8.270 1.00 21.11 H new ATOM 0 HE2 PHE A 53 4.017 12.164 11.237 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.546 11.676 9.367 1.00 53.35 H new ATOM 825 N VAL A 54 6.707 19.413 11.607 1.00 33.42 N ATOM 826 CA VAL A 54 6.735 20.867 11.712 1.00 40.41 C ATOM 827 C VAL A 54 7.160 21.506 10.395 1.00 3.45 C ATOM 828 O VAL A 54 7.890 20.904 9.609 1.00 74.24 O ATOM 829 CB VAL A 54 7.690 21.331 12.827 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.305 20.700 14.157 1.00 24.21 C ATOM 831 CG2 VAL A 54 9.130 20.999 12.468 1.00 4.44 C ATOM 0 H VAL A 54 7.417 19.022 10.987 1.00 33.42 H new ATOM 0 HA VAL A 54 5.722 21.186 11.956 1.00 40.41 H new ATOM 0 HB VAL A 54 7.605 22.413 12.927 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.991 21.040 14.933 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.288 20.993 14.418 1.00 24.21 H new ATOM 0 HG13 VAL A 54 7.360 19.615 14.074 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.791 21.334 13.267 1.00 4.44 H new ATOM 0 HG22 VAL A 54 9.234 19.922 12.339 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.399 21.503 11.540 1.00 4.44 H new ATOM 841 N ALA A 55 6.698 22.730 10.161 1.00 33.42 N ATOM 842 CA ALA A 55 7.032 23.453 8.941 1.00 64.34 C ATOM 843 C ALA A 55 7.040 24.959 9.179 1.00 43.12 C ATOM 844 O ALA A 55 6.075 25.519 9.702 1.00 20.33 O ATOM 845 CB ALA A 55 6.053 23.096 7.832 1.00 75.11 C ATOM 0 H ALA A 55 6.091 23.242 10.801 1.00 33.42 H new ATOM 0 HA ALA A 55 8.035 23.156 8.635 1.00 64.34 H new ATOM 0 HB1 ALA A 55 6.314 23.643 6.926 1.00 75.11 H new ATOM 0 HB2 ALA A 55 6.101 22.025 7.635 1.00 75.11 H new ATOM 0 HB3 ALA A 55 5.042 23.364 8.139 1.00 75.11 H new ATOM 851 N ILE A 56 8.132 25.609 8.792 1.00 4.32 N ATOM 852 CA ILE A 56 8.264 27.050 8.964 1.00 62.15 C ATOM 853 C ILE A 56 7.972 27.787 7.661 1.00 1.24 C ATOM 854 O ILE A 56 8.801 27.815 6.750 1.00 41.11 O ATOM 855 CB ILE A 56 9.673 27.432 9.452 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.984 26.736 10.778 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.791 28.942 9.600 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.732 25.432 10.615 1.00 22.53 C ATOM 0 H ILE A 56 8.938 25.160 8.357 1.00 4.32 H new ATOM 0 HA ILE A 56 7.535 27.346 9.718 1.00 62.15 H new ATOM 0 HB ILE A 56 10.400 27.101 8.710 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.573 27.408 11.402 1.00 12.24 H new ATOM 0 HG13 ILE A 56 9.050 26.546 11.307 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.793 29.197 9.946 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.608 29.417 8.636 1.00 20.32 H new ATOM 0 HG23 ILE A 56 9.057 29.295 10.324 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.918 24.994 11.596 1.00 22.53 H new ATOM 0 HD12 ILE A 56 10.136 24.743 10.017 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.682 25.618 10.114 1.00 22.53 H new ATOM 870 N LEU A 57 6.789 28.387 7.579 1.00 53.34 N ATOM 871 CA LEU A 57 6.387 29.128 6.388 1.00 41.32 C ATOM 872 C LEU A 57 6.894 30.565 6.444 1.00 4.44 C ATOM 873 O LEU A 57 7.446 31.000 7.455 1.00 25.01 O ATOM 874 CB LEU A 57 4.864 29.116 6.246 1.00 22.14 C ATOM 875 CG LEU A 57 4.225 27.752 5.982 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.715 27.831 6.141 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.592 27.251 4.593 1.00 54.43 C ATOM 0 H LEU A 57 6.091 28.375 8.323 1.00 53.34 H new ATOM 0 HA LEU A 57 6.830 28.640 5.520 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.431 29.527 7.158 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.590 29.787 5.432 1.00 22.14 H new ATOM 0 HG LEU A 57 4.610 27.043 6.715 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.277 26.851 5.949 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.472 28.145 7.156 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.312 28.554 5.432 1.00 62.22 H new ATOM 0 HD21 LEU A 57 4.129 26.279 4.423 1.00 54.43 H new ATOM 0 HD22 LEU A 57 4.236 27.959 3.845 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.675 27.155 4.515 1.00 54.43 H new ATOM 889 N ASP A 58 6.699 31.299 5.353 1.00 22.22 N ATOM 890 CA ASP A 58 7.133 32.689 5.280 1.00 23.10 C ATOM 891 C ASP A 58 5.975 33.598 4.881 1.00 53.11 C ATOM 892 O ASP A 58 5.649 33.726 3.701 1.00 71.11 O ATOM 893 CB ASP A 58 8.280 32.835 4.279 1.00 60.34 C ATOM 894 CG ASP A 58 9.323 31.745 4.431 1.00 4.33 C ATOM 895 OD1 ASP A 58 10.033 31.742 5.459 1.00 31.41 O ATOM 896 OD2 ASP A 58 9.431 30.896 3.522 1.00 64.40 O1- ATOM 0 H ASP A 58 6.243 30.954 4.508 1.00 22.22 H new ATOM 0 HA ASP A 58 7.483 32.988 6.268 1.00 23.10 H new ATOM 0 HB2 ASP A 58 7.879 32.812 3.266 1.00 60.34 H new ATOM 0 HB3 ASP A 58 8.753 33.808 4.412 1.00 60.34 H new ATOM 901 N LEU A 59 5.357 34.230 5.874 1.00 12.41 N ATOM 902 CA LEU A 59 4.234 35.128 5.628 1.00 61.11 C ATOM 903 C LEU A 59 4.533 36.529 6.153 1.00 53.10 C ATOM 904 O LEU A 59 5.334 36.718 7.068 1.00 43.12 O ATOM 905 CB LEU A 59 2.966 34.583 6.287 1.00 61.24 C ATOM 906 CG LEU A 59 2.848 33.061 6.359 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.543 32.658 7.027 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.948 32.452 4.967 1.00 1.12 C ATOM 0 H LEU A 59 5.615 34.137 6.856 1.00 12.41 H new ATOM 0 HA LEU A 59 4.078 35.189 4.551 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.908 34.980 7.300 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.104 34.969 5.743 1.00 61.24 H new ATOM 0 HG LEU A 59 3.673 32.679 6.961 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.476 31.571 7.069 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.512 33.063 8.038 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.704 33.051 6.453 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.862 31.368 5.037 1.00 1.12 H new ATOM 0 HD22 LEU A 59 2.144 32.840 4.341 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.910 32.712 4.524 1.00 1.12 H new ATOM 920 N PRO A 60 3.871 37.536 5.563 1.00 72.34 N ATOM 921 CA PRO A 60 4.047 38.937 5.956 1.00 43.15 C ATOM 922 C PRO A 60 3.461 39.229 7.333 1.00 50.24 C ATOM 923 O PRO A 60 4.165 39.174 8.341 1.00 44.12 O ATOM 924 CB PRO A 60 3.284 39.707 4.876 1.00 2.43 C ATOM 925 CG PRO A 60 2.266 38.743 4.370 1.00 40.55 C ATOM 926 CD PRO A 60 2.901 37.383 4.466 1.00 50.31 C ATOM 0 HA PRO A 60 5.099 39.211 6.030 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.813 40.601 5.285 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.950 40.034 4.078 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.354 38.791 4.965 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.988 38.973 3.341 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.164 36.610 4.686 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.390 37.101 3.534 1.00 50.31 H new ATOM 934 N GLU A 61 2.170 39.541 7.368 1.00 62.44 N ATOM 935 CA GLU A 61 1.491 39.843 8.623 1.00 50.50 C ATOM 936 C GLU A 61 0.008 40.121 8.386 1.00 12.05 C ATOM 937 O GLU A 61 -0.356 40.915 7.521 1.00 32.42 O ATOM 938 CB GLU A 61 2.143 41.047 9.305 1.00 73.34 C ATOM 939 CG GLU A 61 1.365 41.565 10.502 1.00 52.41 C ATOM 940 CD GLU A 61 0.343 42.619 10.122 1.00 72.55 C ATOM 941 OE1 GLU A 61 0.678 43.507 9.311 1.00 35.02 O1- ATOM 942 OE2 GLU A 61 -0.794 42.554 10.636 1.00 43.41 O ATOM 0 H GLU A 61 1.573 39.591 6.542 1.00 62.44 H new ATOM 0 HA GLU A 61 1.581 38.973 9.273 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.147 40.771 9.627 1.00 73.34 H new ATOM 0 HB3 GLU A 61 2.251 41.851 8.577 1.00 73.34 H new ATOM 0 HG2 GLU A 61 0.858 40.732 10.989 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.061 41.984 11.229 1.00 52.41 H new ATOM 949 N GLY A 62 -0.842 39.458 9.164 1.00 54.52 N ATOM 950 CA GLY A 62 -2.275 39.645 9.024 1.00 52.00 C ATOM 951 C GLY A 62 -3.046 38.348 9.169 1.00 61.55 C ATOM 952 O GLY A 62 -3.082 37.758 10.249 1.00 51.12 O ATOM 0 H GLY A 62 -0.565 38.795 9.888 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.621 40.355 9.775 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.488 40.083 8.049 1.00 52.00 H new ATOM 956 N GLU A 63 -3.665 37.903 8.080 1.00 53.44 N ATOM 957 CA GLU A 63 -4.440 36.669 8.092 1.00 52.42 C ATOM 958 C GLU A 63 -4.195 35.859 6.822 1.00 71.45 C ATOM 959 O GLU A 63 -4.172 36.435 5.735 1.00 35.41 O ATOM 960 CB GLU A 63 -5.932 36.980 8.232 1.00 13.45 C ATOM 961 CG GLU A 63 -6.835 35.820 7.847 1.00 1.11 C ATOM 962 CD GLU A 63 -8.140 35.814 8.620 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.144 36.273 9.782 1.00 62.20 O1- ATOM 964 OE2 GLU A 63 -9.157 35.351 8.062 1.00 35.44 O ATOM 0 H GLU A 63 -3.644 38.379 7.178 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.117 36.076 8.948 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.140 37.264 9.264 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.175 37.841 7.609 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -7.050 35.871 6.780 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.309 34.882 8.022 1.00 1.11 H new ATOM 971 N HIS A 64 -4.021 34.556 6.985 1.00 3.13 N ATOM 972 CA HIS A 64 -3.779 33.686 5.847 1.00 20.42 C ATOM 973 C HIS A 64 -4.479 32.344 6.071 1.00 42.53 C ATOM 974 O HIS A 64 -4.780 31.945 7.195 1.00 73.42 O ATOM 975 CB HIS A 64 -2.279 33.536 5.587 1.00 3.20 C ATOM 976 CG HIS A 64 -1.501 34.823 5.725 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.076 35.564 4.636 1.00 32.22 N ATOM 978 CD2 HIS A 64 -1.075 35.492 6.835 1.00 2.30 C ATOM 979 CE1 HIS A 64 -0.425 36.627 5.081 1.00 4.25 C ATOM 980 NE2 HIS A 64 -0.425 36.581 6.444 1.00 51.03 N ATOM 0 H HIS A 64 -4.043 34.082 7.888 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.201 34.132 4.947 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.872 32.801 6.281 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.132 33.141 4.582 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.239 35.187 7.858 1.00 2.30 H new ATOM 0 HE1 HIS A 64 0.027 37.396 4.472 1.00 4.25 H new ATOM 0 HE2 HIS A 64 0.004 37.270 7.061 1.00 51.03 H new ATOM 988 N GLN A 65 -4.732 31.652 4.964 1.00 53.30 N ATOM 989 CA GLN A 65 -5.395 30.354 5.011 1.00 30.02 C ATOM 990 C GLN A 65 -4.397 29.224 4.776 1.00 12.33 C ATOM 991 O GLN A 65 -3.330 29.436 4.198 1.00 60.12 O ATOM 992 CB GLN A 65 -6.511 30.289 3.966 1.00 12.55 C ATOM 993 CG GLN A 65 -7.756 31.069 4.357 1.00 10.33 C ATOM 994 CD GLN A 65 -8.849 30.182 4.916 1.00 53.50 C ATOM 995 OE1 GLN A 65 -10.015 30.297 4.535 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.480 29.289 5.827 1.00 52.31 N ATOM 0 H GLN A 65 -4.488 31.968 4.025 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.828 30.232 6.004 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.133 30.674 3.019 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.782 29.246 3.801 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.490 31.822 5.099 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.136 31.601 3.485 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -7.503 29.227 6.114 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.173 28.665 6.239 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.750 28.026 5.227 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.884 26.865 5.070 1.00 44.05 C ATOM 1007 C TYR A 66 -4.646 25.574 5.356 1.00 74.13 C ATOM 1008 O TYR A 66 -5.765 25.600 5.870 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.675 26.972 5.999 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.986 26.634 7.440 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.772 27.477 8.217 1.00 33.23 C ATOM 1012 CD2 TYR A 66 -2.496 25.473 8.024 1.00 60.42 C ATOM 1013 CE1 TYR A 66 -4.059 27.173 9.535 1.00 54.24 C ATOM 1014 CE2 TYR A 66 -2.779 25.159 9.339 1.00 74.14 C ATOM 1015 CZ TYR A 66 -3.560 26.013 10.091 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.843 25.705 11.401 1.00 4.23 O ATOM 0 H TYR A 66 -5.631 27.834 5.705 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.538 26.841 4.037 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.891 26.305 5.639 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.278 27.986 5.950 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.165 28.385 7.784 1.00 33.23 H new ATOM 0 HD2 TYR A 66 -1.883 24.804 7.439 1.00 60.42 H new ATOM 0 HE1 TYR A 66 -4.670 27.839 10.126 1.00 54.24 H new ATOM 0 HE2 TYR A 66 -2.391 24.251 9.776 1.00 74.14 H new ATOM 0 HH TYR A 66 -3.390 24.871 11.646 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.032 24.444 5.020 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.650 23.142 5.242 1.00 53.24 C ATOM 1028 C LYS A 67 -3.589 22.064 5.442 1.00 15.33 C ATOM 1029 O LYS A 67 -2.447 22.216 5.008 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.549 22.774 4.059 1.00 51.31 C ATOM 1031 CG LYS A 67 -6.421 21.556 4.315 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.312 21.754 5.530 1.00 54.14 C ATOM 1033 CE LYS A 67 -8.619 20.987 5.394 1.00 21.22 C ATOM 1034 NZ LYS A 67 -8.453 19.545 5.730 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.107 24.404 4.593 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.256 23.204 6.146 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.188 23.624 3.820 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -4.926 22.588 3.184 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -7.038 21.358 3.438 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -5.790 20.680 4.464 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -6.786 21.423 6.426 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -7.524 22.816 5.658 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -9.369 21.429 6.050 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -8.991 21.082 4.374 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -9.109 18.977 5.156 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -7.475 19.252 5.530 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -8.659 19.398 6.739 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.974 20.977 6.102 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.056 19.874 6.359 1.00 43.24 C ATOM 1050 C PHE A 68 -3.287 18.733 5.372 1.00 51.11 C ATOM 1051 O PHE A 68 -4.408 18.506 4.918 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.226 19.365 7.793 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.589 20.255 8.823 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.219 20.468 8.822 1.00 41.10 C ATOM 1055 CD2 PHE A 68 -3.360 20.877 9.791 1.00 14.15 C ATOM 1056 CE1 PHE A 68 -0.632 21.284 9.770 1.00 25.24 C ATOM 1057 CE2 PHE A 68 -2.778 21.696 10.740 1.00 73.42 C ATOM 1058 CZ PHE A 68 -1.412 21.900 10.729 1.00 11.45 C ATOM 0 H PHE A 68 -4.915 20.836 6.469 1.00 0.43 H new ATOM 0 HA PHE A 68 -2.039 20.243 6.229 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.289 19.271 8.013 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.795 18.367 7.870 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.604 19.991 8.073 1.00 41.10 H new ATOM 0 HD2 PHE A 68 -4.428 20.720 9.804 1.00 14.15 H new ATOM 0 HE1 PHE A 68 0.437 21.440 9.761 1.00 25.24 H new ATOM 0 HE2 PHE A 68 -3.390 22.176 11.489 1.00 73.42 H new ATOM 0 HZ PHE A 68 -0.955 22.540 11.469 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.216 18.017 5.044 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.299 16.901 4.110 1.00 72.31 C ATOM 1070 C PHE A 69 -1.604 15.665 4.676 1.00 34.23 C ATOM 1071 O PHE A 69 -0.376 15.589 4.705 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.673 17.283 2.769 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.351 16.648 1.588 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.714 16.799 1.392 1.00 34.50 C ATOM 1075 CD2 PHE A 69 -1.625 15.901 0.673 1.00 61.42 C ATOM 1076 CE1 PHE A 69 -4.340 16.216 0.306 1.00 50.31 C ATOM 1077 CE2 PHE A 69 -2.245 15.316 -0.414 1.00 54.41 C ATOM 1078 CZ PHE A 69 -3.605 15.474 -0.598 1.00 73.11 C ATOM 0 H PHE A 69 -1.280 18.190 5.412 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.352 16.666 3.957 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.706 18.367 2.657 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.622 16.995 2.773 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.294 17.378 2.095 1.00 34.50 H new ATOM 0 HD2 PHE A 69 -0.561 15.775 0.812 1.00 61.42 H new ATOM 0 HE1 PHE A 69 -5.403 16.341 0.164 1.00 50.31 H new ATOM 0 HE2 PHE A 69 -1.668 14.736 -1.119 1.00 54.41 H new ATOM 0 HZ PHE A 69 -4.093 15.018 -1.447 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.399 14.699 5.125 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.862 13.468 5.690 1.00 12.31 C ATOM 1090 C VAL A 70 -2.372 12.247 4.931 1.00 74.44 C ATOM 1091 O VAL A 70 -3.576 12.091 4.724 1.00 2.54 O ATOM 1092 CB VAL A 70 -2.231 13.325 7.178 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.496 12.146 7.799 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.921 14.611 7.929 1.00 33.01 C ATOM 0 H VAL A 70 -3.418 14.746 5.108 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.777 13.524 5.597 1.00 12.31 H new ATOM 0 HB VAL A 70 -3.302 13.136 7.253 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.769 12.060 8.851 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.771 11.230 7.277 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.421 12.302 7.715 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -2.188 14.492 8.979 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.857 14.832 7.848 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.496 15.431 7.499 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.450 11.385 4.520 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.806 10.176 3.785 1.00 43.14 C ATOM 1106 C ASP A 71 -2.696 10.509 2.592 1.00 50.35 C ATOM 1107 O ASP A 71 -3.700 9.841 2.348 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.518 9.185 4.707 1.00 2.43 C ATOM 1109 CG ASP A 71 -2.261 7.743 4.315 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -2.425 7.415 3.121 1.00 33.12 O1- ATOM 1111 OD2 ASP A 71 -1.896 6.942 5.202 1.00 70.50 O ATOM 0 H ASP A 71 -0.450 11.500 4.683 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.887 9.721 3.415 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -2.186 9.344 5.733 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -3.590 9.379 4.685 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.321 11.546 1.849 1.00 50.22 N ATOM 1117 CA GLY A 72 -3.096 11.950 0.691 1.00 61.42 C ATOM 1118 C GLY A 72 -4.545 12.232 1.033 1.00 44.45 C ATOM 1119 O GLY A 72 -5.428 12.084 0.189 1.00 1.33 O ATOM 0 H GLY A 72 -1.493 12.114 2.029 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.649 12.842 0.252 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -3.050 11.166 -0.065 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.790 12.637 2.275 1.00 51.05 N ATOM 1124 CA GLN A 73 -6.145 12.938 2.727 1.00 43.53 C ATOM 1125 C GLN A 73 -6.197 14.293 3.423 1.00 15.15 C ATOM 1126 O GLN A 73 -5.213 14.739 4.012 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.642 11.845 3.674 1.00 0.22 C ATOM 1128 CG GLN A 73 -7.321 10.686 2.962 1.00 40.22 C ATOM 1129 CD GLN A 73 -8.265 9.917 3.867 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -9.453 9.781 3.572 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -7.740 9.411 4.976 1.00 65.41 N ATOM 0 H GLN A 73 -4.070 12.764 2.986 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.795 12.974 1.852 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.799 11.463 4.249 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.341 12.283 4.386 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.876 11.066 2.104 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.561 10.007 2.575 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -6.750 9.548 5.180 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -8.326 8.885 5.624 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.352 14.945 3.351 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.533 16.251 3.973 1.00 50.15 C ATOM 1142 C TRP A 74 -7.979 16.105 5.424 1.00 34.22 C ATOM 1143 O TRP A 74 -8.942 15.397 5.720 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.559 17.075 3.192 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.314 17.080 1.713 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.690 16.121 0.817 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.636 18.093 0.961 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.288 16.477 -0.448 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.639 17.682 -0.386 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -7.030 19.306 1.294 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -7.058 18.444 -1.397 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -6.452 20.061 0.290 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -6.471 19.628 -1.043 1.00 51.10 C ATOM 0 H TRP A 74 -8.177 14.590 2.868 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.574 16.769 3.956 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.556 16.680 3.387 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.546 18.101 3.559 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.225 15.216 1.066 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.447 15.932 -1.296 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -7.013 19.649 2.318 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -7.070 18.112 -2.425 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.978 21.000 0.537 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -6.013 20.241 -1.805 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.273 16.780 6.327 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.598 16.725 7.747 1.00 44.01 C ATOM 1166 C VAL A 75 -7.402 18.086 8.407 1.00 31.52 C ATOM 1167 O VAL A 75 -6.537 18.864 8.006 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.734 15.683 8.480 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -7.122 14.274 8.056 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.256 15.938 8.223 1.00 31.10 C ATOM 0 H VAL A 75 -6.473 17.371 6.100 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.646 16.434 7.822 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.914 15.777 9.551 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.501 13.551 8.584 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.170 14.097 8.298 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.974 14.163 6.982 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.661 15.192 8.749 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -5.056 15.873 7.153 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.991 16.932 8.582 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.212 18.366 9.423 1.00 63.01 N ATOM 1181 CA HIS A 76 -8.127 19.633 10.141 1.00 74.30 C ATOM 1182 C HIS A 76 -7.618 19.419 11.563 1.00 62.21 C ATOM 1183 O HIS A 76 -7.699 18.315 12.103 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.495 20.316 10.175 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.451 19.697 11.149 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -11.242 18.612 10.839 1.00 13.43 N ATOM 1187 CD2 HIS A 76 -10.738 20.018 12.432 1.00 41.33 C ATOM 1188 CE1 HIS A 76 -11.976 18.292 11.889 1.00 11.05 C ATOM 1189 NE2 HIS A 76 -11.688 19.129 12.869 1.00 32.15 N ATOM 0 H HIS A 76 -8.934 17.733 9.768 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.421 20.274 9.614 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.361 21.367 10.429 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.933 20.283 9.178 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -10.301 20.823 13.005 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -12.690 17.483 11.938 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -12.104 19.117 13.800 1.00 32.15 H new ATOM 1197 N ASP A 77 -7.092 20.480 12.164 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.570 20.409 13.524 1.00 33.21 C ATOM 1199 C ASP A 77 -7.622 20.852 14.534 1.00 70.34 C ATOM 1200 O ASP A 77 -8.164 21.955 14.459 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.318 21.277 13.658 1.00 62.43 C ATOM 1202 CG ASP A 77 -4.103 20.478 14.090 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -4.175 19.815 15.145 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -3.080 20.519 13.373 1.00 41.33 O ATOM 0 H ASP A 77 -7.016 21.400 11.731 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.308 19.372 13.732 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -5.111 21.760 12.703 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.505 22.069 14.383 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.920 19.975 15.504 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.910 20.253 16.548 1.00 45.12 C ATOM 1211 C PRO A 78 -8.434 21.321 17.527 1.00 52.21 C ATOM 1212 O PRO A 78 -9.240 21.952 18.211 1.00 23.20 O ATOM 1213 CB PRO A 78 -9.064 18.907 17.259 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.776 18.199 17.015 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.312 18.642 15.655 1.00 33.02 C ATOM 0 HA PRO A 78 -9.841 20.640 16.134 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -9.246 19.041 18.325 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.907 18.343 16.860 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -7.041 18.451 17.779 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.912 17.118 17.048 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -6.225 18.688 15.597 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.645 17.958 14.874 1.00 33.02 H new ATOM 1223 N SER A 79 -7.121 21.518 17.589 1.00 35.34 N ATOM 1224 CA SER A 79 -6.538 22.509 18.487 1.00 5.14 C ATOM 1225 C SER A 79 -6.507 23.885 17.831 1.00 2.34 C ATOM 1226 O SER A 79 -6.549 24.910 18.511 1.00 53.41 O ATOM 1227 CB SER A 79 -5.123 22.090 18.891 1.00 42.01 C ATOM 1228 OG SER A 79 -5.135 21.351 20.100 1.00 3.14 O ATOM 0 H SER A 79 -6.441 21.005 17.028 1.00 35.34 H new ATOM 0 HA SER A 79 -7.161 22.567 19.380 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.678 21.489 18.098 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.498 22.975 19.009 1.00 42.01 H new ATOM 0 HG SER A 79 -4.219 21.094 20.335 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.432 23.900 16.504 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.393 25.151 15.756 1.00 31.11 C ATOM 1236 C GLU A 80 -7.768 25.485 15.184 1.00 4.43 C ATOM 1237 O GLU A 80 -8.638 24.625 15.049 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.366 25.064 14.624 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.974 25.518 15.030 1.00 61.25 C ATOM 1240 CD GLU A 80 -2.922 25.168 13.995 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.040 24.094 13.370 1.00 23.05 O ATOM 1242 OE2 GLU A 80 -1.982 25.969 13.810 1.00 54.30 O1- ATOM 0 H GLU A 80 -6.397 23.061 15.925 1.00 34.21 H new ATOM 0 HA GLU A 80 -6.100 25.945 16.442 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.314 24.034 14.270 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.708 25.673 13.787 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.979 26.597 15.187 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.709 25.058 15.982 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.970 26.766 14.840 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.236 27.245 14.278 1.00 12.23 C ATOM 1251 C PRO A 81 -9.476 26.725 12.865 1.00 54.22 C ATOM 1252 O PRO A 81 -8.564 26.703 12.038 1.00 51.34 O ATOM 1253 CB PRO A 81 -9.067 28.766 14.267 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.594 28.983 14.208 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.977 27.845 14.973 1.00 34.31 C ATOM 0 HA PRO A 81 -10.094 26.903 14.856 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.568 29.214 13.409 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.498 29.219 15.160 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.242 28.996 13.176 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.323 29.942 14.649 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -6.012 27.557 14.556 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.807 28.108 16.017 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.709 26.309 12.594 1.00 52.51 N ATOM 1264 CA VAL A 82 -11.069 25.791 11.279 1.00 44.45 C ATOM 1265 C VAL A 82 -12.147 26.649 10.626 1.00 64.55 C ATOM 1266 O VAL A 82 -13.013 27.200 11.306 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.569 24.337 11.366 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.534 23.457 12.051 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.901 24.275 12.096 1.00 72.14 C ATOM 0 H VAL A 82 -11.475 26.320 13.267 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.166 25.821 10.669 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.718 23.961 10.354 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.904 22.433 12.104 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.605 23.478 11.482 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.350 23.829 13.059 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.239 23.240 12.148 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.781 24.669 13.105 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.638 24.871 11.559 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.088 26.759 9.303 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.061 27.548 8.557 1.00 1.01 C ATOM 1281 C VAL A 83 -13.892 26.666 7.632 1.00 10.44 C ATOM 1282 O VAL A 83 -13.645 25.466 7.512 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.373 28.644 7.723 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.459 29.488 8.597 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.598 28.026 6.569 1.00 11.55 C ATOM 0 H VAL A 83 -11.376 26.311 8.725 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.716 28.018 9.290 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.142 29.296 7.308 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.982 30.257 7.989 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -12.044 29.960 9.386 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.694 28.853 9.044 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.118 28.815 5.990 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.838 27.350 6.962 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.282 27.470 5.928 1.00 11.55 H new ATOM 1295 N THR A 84 -14.880 27.269 6.978 1.00 44.21 N ATOM 1296 CA THR A 84 -15.749 26.540 6.063 1.00 74.32 C ATOM 1297 C THR A 84 -15.736 27.166 4.674 1.00 53.33 C ATOM 1298 O THR A 84 -16.220 28.281 4.481 1.00 51.12 O ATOM 1299 CB THR A 84 -17.200 26.496 6.581 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.214 26.622 8.007 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.880 25.197 6.175 1.00 25.03 C ATOM 0 H THR A 84 -15.098 28.262 7.065 1.00 44.21 H new ATOM 0 HA THR A 84 -15.361 25.523 6.003 1.00 74.32 H new ATOM 0 HB THR A 84 -17.747 27.328 6.137 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.139 26.595 8.329 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.903 25.189 6.552 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.893 25.117 5.088 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.332 24.353 6.594 1.00 25.03 H new ATOM 1309 N SER A 85 -15.179 26.442 3.708 1.00 12.31 N ATOM 1310 CA SER A 85 -15.100 26.930 2.336 1.00 62.15 C ATOM 1311 C SER A 85 -16.488 27.012 1.709 1.00 62.25 C ATOM 1312 O SER A 85 -17.482 26.635 2.326 1.00 25.40 O ATOM 1313 CB SER A 85 -14.202 26.016 1.499 1.00 73.20 C ATOM 1314 OG SER A 85 -13.009 26.680 1.123 1.00 45.01 O ATOM 0 H SER A 85 -14.776 25.516 3.850 1.00 12.31 H new ATOM 0 HA SER A 85 -14.670 27.931 2.356 1.00 62.15 H new ATOM 0 HB2 SER A 85 -13.959 25.119 2.069 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.738 25.692 0.607 1.00 73.20 H new ATOM 0 HG SER A 85 -12.452 26.075 0.591 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.544 27.509 0.477 1.00 54.44 N ATOM 1321 CA GLN A 86 -17.810 27.642 -0.235 1.00 2.41 C ATOM 1322 C GLN A 86 -18.321 26.281 -0.697 1.00 50.10 C ATOM 1323 O GLN A 86 -19.508 26.116 -0.982 1.00 4.23 O ATOM 1324 CB GLN A 86 -17.648 28.575 -1.437 1.00 4.33 C ATOM 1325 CG GLN A 86 -17.102 29.946 -1.074 1.00 61.13 C ATOM 1326 CD GLN A 86 -15.586 29.982 -1.052 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -14.938 30.028 -2.098 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -15.011 29.961 0.146 1.00 50.44 N ATOM 0 H GLN A 86 -15.729 27.826 -0.048 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.541 28.069 0.452 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -16.981 28.108 -2.162 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -18.615 28.696 -1.925 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.469 30.681 -1.791 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -17.483 30.237 -0.095 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -15.586 29.923 0.987 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -13.994 29.983 0.224 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.418 25.310 -0.768 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.777 23.962 -1.197 1.00 32.15 C ATOM 1339 C LEU A 87 -18.075 23.071 0.004 1.00 71.20 C ATOM 1340 O LEU A 87 -17.987 21.846 -0.081 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.649 23.353 -2.032 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.004 24.278 -3.065 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -14.680 23.704 -3.544 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -16.946 24.502 -4.240 1.00 21.21 C ATOM 0 H LEU A 87 -16.432 25.430 -0.534 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.677 24.029 -1.809 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -15.872 23.000 -1.354 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -17.040 22.478 -2.551 1.00 52.11 H new ATOM 0 HG LEU A 87 -15.809 25.240 -2.591 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -14.236 24.376 -4.278 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -14.003 23.595 -2.697 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -14.850 22.729 -4.001 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -16.472 25.162 -4.966 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -17.172 23.546 -4.713 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -17.870 24.958 -3.884 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.429 23.693 1.124 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.736 22.941 2.327 1.00 24.33 C ATOM 1358 C GLY A 88 -17.553 22.134 2.824 1.00 1.42 C ATOM 1359 O GLY A 88 -17.720 21.161 3.560 1.00 3.52 O ATOM 0 H GLY A 88 -18.509 24.705 1.220 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -19.057 23.629 3.109 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.572 22.270 2.129 1.00 24.33 H new ATOM 1363 N THR A 89 -16.353 22.538 2.420 1.00 71.55 N ATOM 1364 CA THR A 89 -15.136 21.844 2.827 1.00 55.20 C ATOM 1365 C THR A 89 -14.450 22.568 3.980 1.00 10.24 C ATOM 1366 O THR A 89 -14.254 23.783 3.933 1.00 41.43 O ATOM 1367 CB THR A 89 -14.145 21.713 1.655 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.569 22.990 1.357 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.839 21.163 0.418 1.00 71.24 C ATOM 0 H THR A 89 -16.197 23.342 1.812 1.00 71.55 H new ATOM 0 HA THR A 89 -15.434 20.848 3.153 1.00 55.20 H new ATOM 0 HB THR A 89 -13.358 21.019 1.949 1.00 22.31 H new ATOM 0 HG1 THR A 89 -12.939 22.899 0.612 1.00 42.53 H new ATOM 0 HG21 THR A 89 -14.119 21.079 -0.396 1.00 71.24 H new ATOM 0 HG22 THR A 89 -15.252 20.179 0.640 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.644 21.836 0.123 1.00 71.24 H new ATOM 1377 N ILE A 90 -14.088 21.816 5.013 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.422 22.386 6.177 1.00 62.33 C ATOM 1379 C ILE A 90 -11.981 22.769 5.853 1.00 55.32 C ATOM 1380 O ILE A 90 -11.309 22.094 5.075 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.425 21.407 7.365 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.855 20.964 7.684 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.780 22.049 8.584 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.759 22.099 8.111 1.00 10.43 C ATOM 0 H ILE A 90 -14.245 20.810 5.068 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.981 23.280 6.453 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.843 20.527 7.092 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.282 20.482 6.805 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.827 20.216 8.476 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.790 21.344 9.415 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.750 22.320 8.351 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.337 22.944 8.861 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.756 21.711 8.321 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.356 22.567 9.009 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.818 22.838 7.312 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.513 23.856 6.459 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.151 24.328 6.236 1.00 52.40 C ATOM 1398 C ASN A 91 -9.549 24.880 7.525 1.00 14.34 C ATOM 1399 O ASN A 91 -10.189 24.867 8.576 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.134 25.406 5.150 1.00 44.32 C ATOM 1401 CG ASN A 91 -9.891 24.830 3.768 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -9.794 23.615 3.597 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.790 25.704 2.772 1.00 51.12 N ATOM 0 H ASN A 91 -12.056 24.426 7.108 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.549 23.481 5.908 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.084 25.939 5.156 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.357 26.136 5.378 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.626 25.376 1.820 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.877 26.703 2.959 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.315 25.365 7.434 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.626 25.921 8.593 1.00 25.44 C ATOM 1412 C ASN A 92 -7.218 27.369 8.340 1.00 42.41 C ATOM 1413 O ASN A 92 -6.745 27.711 7.255 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.391 25.082 8.930 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.665 23.593 8.852 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.864 22.831 8.310 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.803 23.171 9.393 1.00 64.12 N ATOM 0 H ASN A 92 -7.772 25.384 6.571 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.313 25.898 9.439 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.584 25.337 8.243 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.047 25.333 9.933 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -8.042 22.180 9.369 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.437 23.838 9.832 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.402 28.214 9.347 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.051 29.627 9.235 1.00 13.40 C ATOM 1426 C LEU A 93 -5.933 29.989 10.205 1.00 33.45 C ATOM 1427 O LEU A 93 -6.009 29.689 11.396 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.279 30.499 9.504 1.00 61.04 C ATOM 1429 CG LEU A 93 -8.014 31.996 9.673 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.321 32.558 8.441 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.313 32.741 9.943 1.00 44.50 C ATOM 0 H LEU A 93 -7.792 27.947 10.251 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.698 29.810 8.220 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -8.982 30.365 8.682 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.770 30.133 10.406 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.355 32.134 10.530 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.141 33.624 8.579 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.371 32.045 8.293 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -7.955 32.408 7.567 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.105 33.804 10.061 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -9.997 32.595 9.107 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.769 32.358 10.856 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.894 30.638 9.688 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.761 31.044 10.509 1.00 23.02 C ATOM 1445 C ILE A 94 -3.506 32.543 10.392 1.00 33.42 C ATOM 1446 O ILE A 94 -3.558 33.108 9.299 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.480 30.284 10.117 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.309 30.729 10.995 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.162 30.509 8.646 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.309 29.627 11.273 1.00 55.11 C ATOM 0 H ILE A 94 -4.814 30.894 8.704 1.00 72.12 H new ATOM 0 HA ILE A 94 -4.016 30.801 11.540 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.643 29.218 10.275 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.797 31.560 10.510 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.697 31.104 11.942 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.254 29.966 8.383 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -2.990 30.149 8.036 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.014 31.573 8.465 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.494 30.014 11.901 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.807 28.805 11.787 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.108 29.268 10.332 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.230 33.181 11.524 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.965 34.615 11.549 1.00 3.12 C ATOM 1464 C HIS A 95 -1.505 34.891 11.896 1.00 23.15 C ATOM 1465 O HIS A 95 -0.896 34.170 12.685 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.880 35.308 12.559 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.331 34.989 12.369 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.285 35.215 13.339 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.990 34.458 11.312 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.468 34.837 12.888 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.316 34.374 11.660 1.00 25.13 N ATOM 0 H HIS A 95 -3.184 32.728 12.437 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.167 35.014 10.555 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.581 35.018 13.566 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.740 36.386 12.483 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.105 35.612 14.261 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.554 34.157 10.371 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.400 34.896 13.431 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.948 35.941 11.299 1.00 71.41 N ATOM 1480 CA VAL A 96 0.440 36.313 11.543 1.00 30.12 C ATOM 1481 C VAL A 96 0.535 37.700 12.170 1.00 32.13 C ATOM 1482 O VAL A 96 -0.054 38.659 11.672 1.00 62.43 O ATOM 1483 CB VAL A 96 1.265 36.291 10.244 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.698 36.723 10.513 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.228 34.907 9.612 1.00 60.41 C ATOM 0 H VAL A 96 -1.438 36.549 10.643 1.00 71.41 H new ATOM 0 HA VAL A 96 0.848 35.576 12.235 1.00 30.12 H new ATOM 0 HB VAL A 96 0.823 36.999 9.543 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.265 36.701 9.583 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.703 37.735 10.917 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.154 36.043 11.232 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.817 34.910 8.695 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.644 34.178 10.308 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.197 34.640 9.381 1.00 60.41 H new ATOM 1495 N LYS A 97 1.280 37.799 13.265 1.00 13.43 N ATOM 1496 CA LYS A 97 1.456 39.069 13.960 1.00 32.32 C ATOM 1497 C LYS A 97 2.866 39.611 13.756 1.00 33.23 C ATOM 1498 O LYS A 97 3.827 38.848 13.651 1.00 53.25 O ATOM 1499 CB LYS A 97 1.175 38.898 15.455 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.132 38.182 15.751 1.00 24.53 C ATOM 1501 CD LYS A 97 -0.478 38.244 17.230 1.00 41.45 C ATOM 1502 CE LYS A 97 0.513 37.451 18.069 1.00 62.22 C ATOM 1503 NZ LYS A 97 0.439 35.992 17.782 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.772 37.014 13.691 1.00 13.43 H new ATOM 0 HA LYS A 97 0.748 39.784 13.542 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.995 38.342 15.909 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.156 39.880 15.927 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.935 38.633 15.169 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.057 37.141 15.437 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -0.486 39.283 17.560 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -1.483 37.853 17.386 1.00 41.45 H new ATOM 0 HE2 LYS A 97 1.524 37.809 17.872 1.00 62.22 H new ATOM 0 HE3 LYS A 97 0.314 37.624 19.127 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 0.930 35.465 18.532 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -0.557 35.695 17.746 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 0.893 35.795 16.867 1.00 53.42 H new ATOM 1517 N LYS A 98 2.984 40.933 13.699 1.00 54.02 N ATOM 1518 CA LYS A 98 4.277 41.578 13.509 1.00 54.22 C ATOM 1519 C LYS A 98 5.140 41.449 14.761 1.00 33.52 C ATOM 1520 O LYS A 98 4.738 41.863 15.849 1.00 54.13 O ATOM 1521 CB LYS A 98 4.087 43.056 13.160 1.00 72.45 C ATOM 1522 CG LYS A 98 5.164 43.609 12.243 1.00 22.24 C ATOM 1523 CD LYS A 98 4.581 44.542 11.196 1.00 61.03 C ATOM 1524 CE LYS A 98 4.450 43.852 9.847 1.00 12.11 C ATOM 1525 NZ LYS A 98 3.618 44.643 8.898 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.199 41.579 13.782 1.00 54.02 H new ATOM 0 HA LYS A 98 4.785 41.078 12.685 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.115 43.186 12.684 1.00 72.45 H new ATOM 0 HB3 LYS A 98 4.072 43.639 14.081 1.00 72.45 H new ATOM 0 HG2 LYS A 98 5.907 44.144 12.835 1.00 22.24 H new ATOM 0 HG3 LYS A 98 5.681 42.786 11.750 1.00 22.24 H new ATOM 0 HD2 LYS A 98 3.602 44.892 11.524 1.00 61.03 H new ATOM 0 HD3 LYS A 98 5.217 45.422 11.096 1.00 61.03 H new ATOM 0 HE2 LYS A 98 5.441 43.698 9.420 1.00 12.11 H new ATOM 0 HE3 LYS A 98 4.006 42.866 9.985 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 3.959 44.490 7.927 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 2.626 44.338 8.969 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 3.687 45.653 9.134 1.00 62.45 H new