USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=20 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 Set 1.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 38 ASN : amide:sc= -0.2 K(o=-0.2,f=-4.2!) USER MOD Single : A 20 THR OG1 : rot -100:sc= -0.607 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 87:sc= 0.529 USER MOD Single : A 39 ASN : amide:sc= -0.0674 K(o=-0.067,f=-0.99) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 40:sc= 0.827 USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0094) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.067 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0935 F(o=-1.7,f=-0.094) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.636 F(o=-1.8,f=-0.64) USER MOD Single : A 65 GLN : amide:sc= -3.25 K(o=-3.2,f=-8.3!) USER MOD Single : A 66 TYR OH : rot 115:sc= -0.18 USER MOD Single : A 67 LYS NZ :NH3+ -153:sc= 0.803 (180deg=0.22) USER MOD Single : A 73 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.38) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.519 F(o=-1.6,f=-0.52) 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= -0.0556 K(o=-0.056,f=-1.1) USER MOD Single : A 89 THR OG1 : rot 15:sc= 0.0739! USER MOD Single : A 91 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.4!) USER MOD Single : A 92 ASN :FLIP amide:sc= -3! F(o=-4.8,f=-3!) USER MOD Single : A 95 HIS : no HE2:sc= -2.09 K(o=-2.1,f=-7.7!) USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= 0.141 (180deg=0.0172) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.654 38.010 8.543 1.00 33.52 N ATOM 244 CA ARG A 18 7.638 37.176 9.739 1.00 13.22 C ATOM 245 C ARG A 18 7.152 35.767 9.411 1.00 32.13 C ATOM 246 O ARG A 18 5.975 35.539 9.130 1.00 45.04 O ATOM 247 CB ARG A 18 6.742 37.799 10.810 1.00 74.21 C ATOM 248 CG ARG A 18 7.204 37.517 12.230 1.00 51.14 C ATOM 249 CD ARG A 18 6.571 36.250 12.780 1.00 72.54 C ATOM 250 NE ARG A 18 6.847 36.072 14.203 1.00 24.34 N ATOM 251 CZ ARG A 18 8.042 35.745 14.684 1.00 34.35 C ATOM 252 NH1 ARG A 18 9.064 35.561 13.860 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 8.214 35.602 15.992 1.00 44.41 N ATOM 0 HA ARG A 18 8.657 37.112 10.121 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.703 38.878 10.657 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.727 37.423 10.686 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.290 37.420 12.248 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.949 38.361 12.871 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.493 36.285 12.622 1.00 72.54 H new ATOM 0 HD3 ARG A 18 6.946 35.388 12.228 1.00 72.54 H new ATOM 0 HE ARG A 18 6.081 36.206 14.863 1.00 24.34 H new ATOM 0 HH11 ARG A 18 8.934 35.670 12.854 1.00 13.44 H new ATOM 0 HH12 ARG A 18 9.980 35.310 14.232 1.00 13.44 H new ATOM 0 HH21 ARG A 18 7.429 35.743 16.628 1.00 44.41 H new ATOM 0 HH22 ARG A 18 9.131 35.351 16.361 1.00 44.41 H new ATOM 267 N PRO A 19 8.079 34.798 9.446 1.00 42.30 N ATOM 268 CA PRO A 19 7.768 33.395 9.155 1.00 72.54 C ATOM 269 C PRO A 19 6.915 32.753 10.243 1.00 40.44 C ATOM 270 O PRO A 19 7.082 33.040 11.429 1.00 14.01 O ATOM 271 CB PRO A 19 9.147 32.732 9.097 1.00 10.11 C ATOM 272 CG PRO A 19 10.019 33.596 9.940 1.00 63.22 C ATOM 273 CD PRO A 19 9.501 34.998 9.772 1.00 44.21 C ATOM 0 HA PRO A 19 7.188 33.287 8.238 1.00 72.54 H new ATOM 0 HB2 PRO A 19 9.112 31.712 9.480 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.516 32.676 8.073 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.980 33.288 10.985 1.00 63.22 H new ATOM 0 HG3 PRO A 19 11.060 33.524 9.625 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.626 35.585 10.682 1.00 44.21 H new ATOM 0 HD3 PRO A 19 10.025 35.528 8.977 1.00 44.21 H new ATOM 281 N THR A 20 5.999 31.881 9.833 1.00 65.22 N ATOM 282 CA THR A 20 5.119 31.198 10.773 1.00 1.42 C ATOM 283 C THR A 20 5.343 29.691 10.741 1.00 44.04 C ATOM 284 O THR A 20 5.213 29.057 9.693 1.00 14.52 O ATOM 285 CB THR A 20 3.637 31.493 10.470 1.00 74.14 C ATOM 286 OG1 THR A 20 3.415 32.907 10.439 1.00 14.13 O ATOM 287 CG2 THR A 20 2.734 30.856 11.516 1.00 21.30 C ATOM 0 H THR A 20 5.847 31.631 8.856 1.00 65.22 H new ATOM 0 HA THR A 20 5.362 31.577 11.766 1.00 1.42 H new ATOM 0 HB THR A 20 3.396 31.067 9.496 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.024 33.195 11.290 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.693 31.078 11.281 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.884 29.776 11.517 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.978 31.257 12.500 1.00 21.30 H new ATOM 295 N VAL A 21 5.679 29.122 11.894 1.00 72.24 N ATOM 296 CA VAL A 21 5.918 27.688 11.999 1.00 21.13 C ATOM 297 C VAL A 21 4.702 26.967 12.568 1.00 13.22 C ATOM 298 O VAL A 21 4.228 27.293 13.658 1.00 54.24 O ATOM 299 CB VAL A 21 7.142 27.386 12.884 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.972 28.012 14.260 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.362 25.885 12.994 1.00 62.22 C ATOM 0 H VAL A 21 5.792 29.633 12.769 1.00 72.24 H new ATOM 0 HA VAL A 21 6.111 27.325 10.989 1.00 21.13 H new ATOM 0 HB VAL A 21 8.024 27.825 12.418 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.846 27.789 14.872 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.867 29.092 14.158 1.00 41.02 H new ATOM 0 HG13 VAL A 21 6.081 27.604 14.738 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.231 25.690 13.623 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.481 25.420 13.437 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.532 25.468 12.001 1.00 62.22 H new ATOM 311 N ILE A 22 4.200 25.986 11.826 1.00 3.43 N ATOM 312 CA ILE A 22 3.039 25.218 12.259 1.00 12.44 C ATOM 313 C ILE A 22 3.420 23.772 12.563 1.00 32.43 C ATOM 314 O ILE A 22 4.151 23.139 11.802 1.00 24.12 O ATOM 315 CB ILE A 22 1.927 25.231 11.193 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.623 26.666 10.759 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.673 24.558 11.730 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.547 26.762 9.700 1.00 60.50 C ATOM 0 H ILE A 22 4.579 25.704 10.922 1.00 3.43 H new ATOM 0 HA ILE A 22 2.666 25.692 13.167 1.00 12.44 H new ATOM 0 HB ILE A 22 2.272 24.674 10.322 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.316 27.243 11.631 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.537 27.124 10.380 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.104 24.575 10.966 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.899 23.525 11.995 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.324 25.091 12.614 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.384 27.808 9.441 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.860 26.213 8.812 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.380 26.334 10.083 1.00 60.50 H new ATOM 330 N ARG A 23 2.916 23.256 13.679 1.00 11.32 N ATOM 331 CA ARG A 23 3.201 21.886 14.084 1.00 71.41 C ATOM 332 C ARG A 23 2.010 20.975 13.799 1.00 72.25 C ATOM 333 O ARG A 23 0.866 21.426 13.769 1.00 15.13 O ATOM 334 CB ARG A 23 3.553 21.833 15.572 1.00 10.01 C ATOM 335 CG ARG A 23 4.046 20.472 16.034 1.00 51.15 C ATOM 336 CD ARG A 23 4.392 20.478 17.515 1.00 13.14 C ATOM 337 NE ARG A 23 3.297 20.999 18.331 1.00 73.24 N ATOM 338 CZ ARG A 23 3.452 21.436 19.575 1.00 1.22 C ATOM 339 NH1 ARG A 23 4.649 21.415 20.145 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 2.408 21.895 20.253 1.00 60.42 N ATOM 0 H ARG A 23 2.308 23.767 14.319 1.00 11.32 H new ATOM 0 HA ARG A 23 4.053 21.533 13.504 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.320 22.578 15.782 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.674 22.108 16.155 1.00 10.01 H new ATOM 0 HG2 ARG A 23 3.279 19.722 15.841 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.924 20.186 15.455 1.00 51.15 H new ATOM 0 HD2 ARG A 23 4.632 19.464 17.835 1.00 13.14 H new ATOM 0 HD3 ARG A 23 5.284 21.083 17.676 1.00 13.14 H new ATOM 0 HE ARG A 23 2.363 21.028 17.922 1.00 73.24 H new ATOM 0 HH11 ARG A 23 5.454 21.062 19.628 1.00 61.23 H new ATOM 0 HH12 ARG A 23 4.765 21.752 21.101 1.00 61.23 H new ATOM 0 HH21 ARG A 23 1.485 21.912 19.819 1.00 60.42 H new ATOM 0 HH22 ARG A 23 2.528 22.231 21.209 1.00 60.42 H new ATOM 354 N TRP A 24 2.289 19.694 13.592 1.00 3.23 N ATOM 355 CA TRP A 24 1.240 18.720 13.308 1.00 15.23 C ATOM 356 C TRP A 24 1.452 17.442 14.114 1.00 63.45 C ATOM 357 O TRP A 24 2.547 16.881 14.127 1.00 54.01 O ATOM 358 CB TRP A 24 1.205 18.396 11.814 1.00 72.25 C ATOM 359 CG TRP A 24 0.275 17.271 11.471 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.620 15.980 11.188 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.151 17.339 11.374 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.507 15.242 10.921 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.606 16.052 11.028 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.088 18.362 11.547 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.957 15.763 10.852 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.428 18.073 11.371 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.853 16.783 11.028 1.00 33.23 C ATOM 0 H TRP A 24 3.231 19.305 13.615 1.00 3.23 H new ATOM 0 HA TRP A 24 0.285 19.157 13.599 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.904 19.287 11.263 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.211 18.140 11.481 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.630 15.596 11.176 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.523 14.251 10.682 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.771 19.359 11.813 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.286 14.769 10.586 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.161 18.856 11.500 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.908 16.589 10.900 1.00 33.23 H new ATOM 378 N SER A 25 0.398 16.988 14.784 1.00 32.42 N ATOM 379 CA SER A 25 0.470 15.778 15.594 1.00 61.31 C ATOM 380 C SER A 25 -0.651 14.811 15.228 1.00 1.43 C ATOM 381 O SER A 25 -1.828 15.098 15.444 1.00 0.20 O ATOM 382 CB SER A 25 0.390 16.129 17.081 1.00 74.14 C ATOM 383 OG SER A 25 0.461 14.964 17.885 1.00 11.02 O ATOM 0 H SER A 25 -0.516 17.440 14.782 1.00 32.42 H new ATOM 0 HA SER A 25 1.425 15.293 15.393 1.00 61.31 H new ATOM 0 HB2 SER A 25 1.204 16.805 17.342 1.00 74.14 H new ATOM 0 HB3 SER A 25 -0.541 16.658 17.283 1.00 74.14 H new ATOM 0 HG SER A 25 0.409 15.216 18.831 1.00 11.02 H new ATOM 389 N GLU A 26 -0.277 13.663 14.670 1.00 53.04 N ATOM 390 CA GLU A 26 -1.250 12.654 14.272 1.00 60.10 C ATOM 391 C GLU A 26 -0.593 11.282 14.148 1.00 74.23 C ATOM 392 O GLU A 26 -1.131 10.280 14.615 1.00 22.33 O ATOM 393 CB GLU A 26 -1.904 13.040 12.944 1.00 62.15 C ATOM 394 CG GLU A 26 -3.281 12.429 12.743 1.00 12.22 C ATOM 395 CD GLU A 26 -4.233 12.750 13.879 1.00 34.13 C ATOM 396 OE1 GLU A 26 -4.650 13.921 13.989 1.00 61.43 O ATOM 397 OE2 GLU A 26 -4.560 11.829 14.657 1.00 23.12 O1- ATOM 0 H GLU A 26 0.693 13.410 14.484 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.017 12.602 15.045 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -1.986 14.126 12.891 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.255 12.729 12.125 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.703 12.793 11.806 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.184 11.347 12.650 1.00 12.22 H new ATOM 404 N GLY A 27 0.576 11.248 13.516 1.00 15.14 N ATOM 405 CA GLY A 27 1.288 9.995 13.341 1.00 4.13 C ATOM 406 C GLY A 27 1.283 9.521 11.901 1.00 73.25 C ATOM 407 O GLY A 27 1.114 8.332 11.633 1.00 40.05 O ATOM 0 H GLY A 27 1.043 12.065 13.122 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.318 10.116 13.677 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.834 9.232 13.973 1.00 4.13 H new ATOM 411 N GLY A 28 1.466 10.454 10.971 1.00 1.41 N ATOM 412 CA GLY A 28 1.475 10.105 9.562 1.00 61.23 C ATOM 413 C GLY A 28 2.879 10.022 8.996 1.00 31.04 C ATOM 414 O GLY A 28 3.841 10.452 9.633 1.00 11.20 O ATOM 0 H GLY A 28 1.608 11.445 11.168 1.00 1.41 H new ATOM 0 HA2 GLY A 28 0.974 9.147 9.425 1.00 61.23 H new ATOM 0 HA3 GLY A 28 0.904 10.847 9.003 1.00 61.23 H new ATOM 418 N LYS A 29 2.998 9.465 7.795 1.00 2.02 N ATOM 419 CA LYS A 29 4.294 9.326 7.142 1.00 70.24 C ATOM 420 C LYS A 29 4.610 10.553 6.292 1.00 44.33 C ATOM 421 O LYS A 29 5.691 11.130 6.398 1.00 44.34 O ATOM 422 CB LYS A 29 4.315 8.070 6.269 1.00 33.13 C ATOM 423 CG LYS A 29 3.818 6.825 6.983 1.00 54.20 C ATOM 424 CD LYS A 29 2.329 6.615 6.765 1.00 2.42 C ATOM 425 CE LYS A 29 1.936 5.159 6.967 1.00 32.15 C ATOM 426 NZ LYS A 29 0.486 4.935 6.711 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.212 9.103 7.255 1.00 2.02 H new ATOM 0 HA LYS A 29 5.055 9.237 7.917 1.00 70.24 H new ATOM 0 HB2 LYS A 29 3.700 8.242 5.385 1.00 33.13 H new ATOM 0 HB3 LYS A 29 5.333 7.897 5.921 1.00 33.13 H new ATOM 0 HG2 LYS A 29 4.366 5.954 6.622 1.00 54.20 H new ATOM 0 HG3 LYS A 29 4.022 6.911 8.050 1.00 54.20 H new ATOM 0 HD2 LYS A 29 1.767 7.244 7.455 1.00 2.42 H new ATOM 0 HD3 LYS A 29 2.060 6.929 5.757 1.00 2.42 H new ATOM 0 HE2 LYS A 29 2.524 4.528 6.300 1.00 32.15 H new ATOM 0 HE3 LYS A 29 2.176 4.856 7.986 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 0.258 3.931 6.859 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 -0.076 5.518 7.364 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 0.262 5.200 5.731 1.00 31.05 H new ATOM 440 N GLU A 30 3.658 10.945 5.451 1.00 70.41 N ATOM 441 CA GLU A 30 3.836 12.105 4.585 1.00 31.12 C ATOM 442 C GLU A 30 2.852 13.214 4.950 1.00 62.13 C ATOM 443 O GLU A 30 1.638 13.041 4.845 1.00 50.04 O ATOM 444 CB GLU A 30 3.651 11.707 3.119 1.00 52.54 C ATOM 445 CG GLU A 30 4.586 10.598 2.666 1.00 64.11 C ATOM 446 CD GLU A 30 4.264 10.096 1.273 1.00 64.32 C ATOM 447 OE1 GLU A 30 3.210 10.487 0.729 1.00 24.13 O1- ATOM 448 OE2 GLU A 30 5.066 9.310 0.725 1.00 41.54 O ATOM 0 H GLU A 30 2.757 10.477 5.351 1.00 70.41 H new ATOM 0 HA GLU A 30 4.849 12.481 4.728 1.00 31.12 H new ATOM 0 HB2 GLU A 30 2.620 11.387 2.966 1.00 52.54 H new ATOM 0 HB3 GLU A 30 3.809 12.583 2.491 1.00 52.54 H new ATOM 0 HG2 GLU A 30 5.613 10.962 2.688 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.527 9.768 3.370 1.00 64.11 H new ATOM 455 N VAL A 31 3.388 14.353 5.380 1.00 74.14 N ATOM 456 CA VAL A 31 2.559 15.490 5.760 1.00 50.44 C ATOM 457 C VAL A 31 2.929 16.732 4.958 1.00 42.45 C ATOM 458 O VAL A 31 4.100 17.099 4.865 1.00 5.15 O ATOM 459 CB VAL A 31 2.692 15.804 7.262 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.688 16.869 7.676 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.512 14.539 8.089 1.00 3.42 C ATOM 0 H VAL A 31 4.391 14.512 5.473 1.00 74.14 H new ATOM 0 HA VAL A 31 1.527 15.216 5.544 1.00 50.44 H new ATOM 0 HB VAL A 31 3.694 16.192 7.447 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.797 17.078 8.740 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.869 17.781 7.107 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.677 16.513 7.478 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.609 14.780 9.148 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.524 14.119 7.901 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.274 13.811 7.811 1.00 3.42 H new ATOM 471 N PHE A 32 1.922 17.377 4.378 1.00 3.30 N ATOM 472 CA PHE A 32 2.140 18.580 3.582 1.00 33.30 C ATOM 473 C PHE A 32 1.215 19.706 4.033 1.00 0.43 C ATOM 474 O PHE A 32 0.337 19.504 4.873 1.00 64.31 O ATOM 475 CB PHE A 32 1.914 18.282 2.099 1.00 54.22 C ATOM 476 CG PHE A 32 2.764 17.159 1.576 1.00 44.23 C ATOM 477 CD1 PHE A 32 2.329 15.846 1.661 1.00 61.04 C ATOM 478 CD2 PHE A 32 3.998 17.416 1.002 1.00 31.12 C ATOM 479 CE1 PHE A 32 3.108 14.811 1.181 1.00 62.11 C ATOM 480 CE2 PHE A 32 4.781 16.385 0.519 1.00 15.41 C ATOM 481 CZ PHE A 32 4.336 15.080 0.610 1.00 40.11 C ATOM 0 H PHE A 32 0.946 17.087 4.444 1.00 3.30 H new ATOM 0 HA PHE A 32 3.171 18.901 3.729 1.00 33.30 H new ATOM 0 HB2 PHE A 32 0.864 18.035 1.942 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.120 19.182 1.520 1.00 54.22 H new ATOM 0 HD1 PHE A 32 1.370 15.629 2.108 1.00 61.04 H new ATOM 0 HD2 PHE A 32 4.352 18.434 0.931 1.00 31.12 H new ATOM 0 HE1 PHE A 32 2.757 13.792 1.252 1.00 62.11 H new ATOM 0 HE2 PHE A 32 5.740 16.599 0.071 1.00 15.41 H new ATOM 0 HZ PHE A 32 4.947 14.272 0.235 1.00 40.11 H new ATOM 491 N ILE A 33 1.420 20.893 3.471 1.00 13.34 N ATOM 492 CA ILE A 33 0.605 22.052 3.814 1.00 72.44 C ATOM 493 C ILE A 33 0.403 22.958 2.606 1.00 11.41 C ATOM 494 O ILE A 33 1.321 23.169 1.813 1.00 13.30 O ATOM 495 CB ILE A 33 1.241 22.869 4.955 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.364 24.075 5.297 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.642 23.319 4.567 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.747 24.752 6.595 1.00 0.14 C ATOM 0 H ILE A 33 2.144 21.077 2.776 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.361 21.672 4.145 1.00 72.44 H new ATOM 0 HB ILE A 33 1.316 22.235 5.839 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.426 24.801 4.486 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.675 23.753 5.358 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.078 23.895 5.383 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.262 22.445 4.367 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.590 23.939 3.672 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.083 25.598 6.774 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.658 24.041 7.416 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.776 25.105 6.531 1.00 0.14 H new ATOM 510 N SER A 34 -0.807 23.495 2.471 1.00 74.21 N ATOM 511 CA SER A 34 -1.131 24.379 1.358 1.00 21.11 C ATOM 512 C SER A 34 -2.124 25.454 1.789 1.00 75.54 C ATOM 513 O SER A 34 -2.995 25.211 2.622 1.00 75.43 O ATOM 514 CB SER A 34 -1.708 23.574 0.192 1.00 25.35 C ATOM 515 OG SER A 34 -1.036 23.877 -1.019 1.00 52.43 O ATOM 0 H SER A 34 -1.578 23.333 3.119 1.00 74.21 H new ATOM 0 HA SER A 34 -0.212 24.867 1.034 1.00 21.11 H new ATOM 0 HB2 SER A 34 -1.621 22.508 0.403 1.00 25.35 H new ATOM 0 HB3 SER A 34 -2.771 23.792 0.086 1.00 25.35 H new ATOM 0 HG SER A 34 -1.422 23.349 -1.748 1.00 52.43 H new ATOM 521 N GLY A 35 -1.984 26.645 1.214 1.00 54.31 N ATOM 522 CA GLY A 35 -2.875 27.740 1.551 1.00 42.32 C ATOM 523 C GLY A 35 -2.762 28.899 0.580 1.00 45.21 C ATOM 524 O GLY A 35 -2.120 28.782 -0.464 1.00 21.03 O ATOM 0 H GLY A 35 -1.270 26.871 0.521 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.903 27.378 1.562 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.650 28.091 2.558 1.00 42.32 H new ATOM 528 N SER A 36 -3.388 30.019 0.924 1.00 75.24 N ATOM 529 CA SER A 36 -3.360 31.203 0.071 1.00 34.33 C ATOM 530 C SER A 36 -1.978 31.850 0.087 1.00 71.13 C ATOM 531 O SER A 36 -1.673 32.708 -0.741 1.00 4.31 O ATOM 532 CB SER A 36 -4.413 32.212 0.531 1.00 65.34 C ATOM 533 OG SER A 36 -5.678 31.926 -0.043 1.00 13.12 O ATOM 0 H SER A 36 -3.921 30.133 1.786 1.00 75.24 H new ATOM 0 HA SER A 36 -3.585 30.893 -0.949 1.00 34.33 H new ATOM 0 HB2 SER A 36 -4.490 32.192 1.618 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.103 33.219 0.252 1.00 65.34 H new ATOM 0 HG SER A 36 -6.154 31.280 0.520 1.00 13.12 H new ATOM 539 N PHE A 37 -1.145 31.431 1.035 1.00 23.10 N ATOM 540 CA PHE A 37 0.203 31.970 1.161 1.00 11.12 C ATOM 541 C PHE A 37 1.098 31.465 0.031 1.00 50.51 C ATOM 542 O PHE A 37 2.125 32.067 -0.277 1.00 73.12 O ATOM 543 CB PHE A 37 0.805 31.585 2.513 1.00 22.03 C ATOM 544 CG PHE A 37 0.881 30.101 2.735 1.00 62.52 C ATOM 545 CD1 PHE A 37 1.890 29.350 2.155 1.00 1.14 C ATOM 546 CD2 PHE A 37 -0.058 29.457 3.525 1.00 4.33 C ATOM 547 CE1 PHE A 37 1.963 27.985 2.358 1.00 24.12 C ATOM 548 CE2 PHE A 37 0.010 28.093 3.732 1.00 63.12 C ATOM 549 CZ PHE A 37 1.020 27.355 3.146 1.00 45.15 C ATOM 0 H PHE A 37 -1.381 30.720 1.727 1.00 23.10 H new ATOM 0 HA PHE A 37 0.141 33.056 1.095 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.807 32.007 2.589 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.209 32.033 3.308 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.629 29.837 1.536 1.00 1.14 H new ATOM 0 HD2 PHE A 37 -0.852 30.028 3.984 1.00 4.33 H new ATOM 0 HE1 PHE A 37 2.756 27.412 1.901 1.00 24.12 H new ATOM 0 HE2 PHE A 37 -0.726 27.604 4.352 1.00 63.12 H new ATOM 0 HZ PHE A 37 1.072 26.288 3.304 1.00 45.15 H new ATOM 559 N ASN A 38 0.697 30.355 -0.582 1.00 22.03 N ATOM 560 CA ASN A 38 1.462 29.769 -1.675 1.00 73.21 C ATOM 561 C ASN A 38 0.586 29.577 -2.910 1.00 65.12 C ATOM 562 O ASN A 38 0.920 28.804 -3.807 1.00 33.34 O ATOM 563 CB ASN A 38 2.058 28.426 -1.247 1.00 74.54 C ATOM 564 CG ASN A 38 1.005 27.345 -1.102 1.00 31.23 C ATOM 565 OD1 ASN A 38 0.401 27.189 -0.040 1.00 32.13 O ATOM 566 ND2 ASN A 38 0.778 26.592 -2.173 1.00 70.32 N ATOM 0 H ASN A 38 -0.152 29.845 -0.340 1.00 22.03 H new ATOM 0 HA ASN A 38 2.271 30.455 -1.927 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.800 28.111 -1.981 1.00 74.54 H new ATOM 0 HB3 ASN A 38 2.581 28.550 -0.299 1.00 74.54 H new ATOM 0 HD21 ASN A 38 0.080 25.849 -2.136 1.00 70.32 H new ATOM 0 HD22 ASN A 38 1.302 26.757 -3.033 1.00 70.32 H new ATOM 573 N ASN A 39 -0.536 30.288 -2.949 1.00 74.22 N ATOM 574 CA ASN A 39 -1.461 30.198 -4.073 1.00 43.44 C ATOM 575 C ASN A 39 -1.975 28.771 -4.239 1.00 54.22 C ATOM 576 O ASN A 39 -2.452 28.393 -5.310 1.00 61.41 O ATOM 577 CB ASN A 39 -0.776 30.658 -5.362 1.00 4.25 C ATOM 578 CG ASN A 39 -1.737 31.341 -6.314 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.955 31.225 -6.175 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.192 32.058 -7.291 1.00 32.44 N ATOM 0 H ASN A 39 -0.827 30.933 -2.215 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.310 30.851 -3.868 1.00 43.44 H new ATOM 0 HB2 ASN A 39 0.035 31.343 -5.115 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.327 29.798 -5.858 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -1.788 32.540 -7.964 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -0.177 32.127 -7.368 1.00 32.44 H new ATOM 587 N TRP A 40 -1.878 27.985 -3.173 1.00 11.01 N ATOM 588 CA TRP A 40 -2.335 26.601 -3.201 1.00 32.51 C ATOM 589 C TRP A 40 -1.734 25.851 -4.385 1.00 23.40 C ATOM 590 O TRP A 40 -2.340 24.921 -4.915 1.00 14.41 O ATOM 591 CB TRP A 40 -3.863 26.546 -3.269 1.00 1.54 C ATOM 592 CG TRP A 40 -4.534 27.417 -2.251 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.693 28.772 -2.308 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.134 26.992 -1.023 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.356 29.215 -1.189 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.639 28.143 -0.385 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.297 25.751 -0.399 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.292 28.087 0.844 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.945 25.698 0.820 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.436 26.859 1.430 1.00 71.30 C ATOM 0 H TRP A 40 -1.487 28.282 -2.279 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.002 26.118 -2.282 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.186 26.848 -4.265 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.189 25.516 -3.127 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.348 29.403 -3.114 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.598 30.185 -0.989 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.923 24.850 -0.862 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.671 28.981 1.317 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -6.075 24.745 1.311 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.939 26.784 2.383 1.00 71.30 H new ATOM 611 N SER A 41 -0.540 26.266 -4.797 1.00 74.51 N ATOM 612 CA SER A 41 0.141 25.636 -5.922 1.00 24.05 C ATOM 613 C SER A 41 1.011 24.476 -5.450 1.00 42.45 C ATOM 614 O SER A 41 0.692 23.309 -5.680 1.00 72.12 O ATOM 615 CB SER A 41 0.997 26.662 -6.666 1.00 64.43 C ATOM 616 OG SER A 41 1.657 26.070 -7.772 1.00 75.12 O ATOM 0 H SER A 41 -0.025 27.035 -4.369 1.00 74.51 H new ATOM 0 HA SER A 41 -0.617 25.245 -6.601 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.368 27.483 -7.011 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.733 27.088 -5.985 1.00 64.43 H new ATOM 0 HG SER A 41 2.196 26.747 -8.232 1.00 75.12 H new ATOM 622 N THR A 42 2.116 24.805 -4.787 1.00 73.54 N ATOM 623 CA THR A 42 3.035 23.792 -4.283 1.00 45.04 C ATOM 624 C THR A 42 2.946 23.676 -2.765 1.00 34.20 C ATOM 625 O THR A 42 3.330 24.592 -2.038 1.00 34.44 O ATOM 626 CB THR A 42 4.490 24.108 -4.677 1.00 1.10 C ATOM 627 OG1 THR A 42 4.907 25.336 -4.070 1.00 15.30 O ATOM 628 CG2 THR A 42 4.632 24.209 -6.188 1.00 52.41 C ATOM 0 H THR A 42 2.396 25.765 -4.587 1.00 73.54 H new ATOM 0 HA THR A 42 2.741 22.845 -4.736 1.00 45.04 H new ATOM 0 HB THR A 42 5.123 23.295 -4.322 1.00 1.10 H new ATOM 0 HG1 THR A 42 4.556 25.385 -3.156 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.668 24.433 -6.442 1.00 52.41 H new ATOM 0 HG22 THR A 42 4.343 23.263 -6.645 1.00 52.41 H new ATOM 0 HG23 THR A 42 3.987 25.004 -6.562 1.00 52.41 H new ATOM 636 N LYS A 43 2.438 22.542 -2.293 1.00 53.21 N ATOM 637 CA LYS A 43 2.299 22.304 -0.861 1.00 62.12 C ATOM 638 C LYS A 43 3.657 22.031 -0.221 1.00 0.51 C ATOM 639 O LYS A 43 4.357 21.094 -0.604 1.00 42.43 O ATOM 640 CB LYS A 43 1.358 21.124 -0.609 1.00 42.01 C ATOM 641 CG LYS A 43 1.830 19.825 -1.238 1.00 13.53 C ATOM 642 CD LYS A 43 0.729 18.778 -1.247 1.00 24.00 C ATOM 643 CE LYS A 43 0.963 17.732 -2.327 1.00 21.13 C ATOM 644 NZ LYS A 43 0.599 18.240 -3.679 1.00 63.23 N1+ ATOM 0 H LYS A 43 2.116 21.774 -2.881 1.00 53.21 H new ATOM 0 HA LYS A 43 1.877 23.201 -0.408 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.250 20.979 0.466 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.370 21.369 -0.998 1.00 42.01 H new ATOM 0 HG2 LYS A 43 2.162 20.014 -2.259 1.00 13.53 H new ATOM 0 HG3 LYS A 43 2.691 19.445 -0.688 1.00 13.53 H new ATOM 0 HD2 LYS A 43 0.680 18.292 -0.273 1.00 24.00 H new ATOM 0 HD3 LYS A 43 -0.234 19.262 -1.411 1.00 24.00 H new ATOM 0 HE2 LYS A 43 2.011 17.432 -2.322 1.00 21.13 H new ATOM 0 HE3 LYS A 43 0.376 16.841 -2.103 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 0.692 17.473 -4.375 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 -0.383 18.581 -3.669 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.234 19.022 -3.939 1.00 63.23 H new ATOM 658 N ILE A 44 4.021 22.856 0.756 1.00 50.11 N ATOM 659 CA ILE A 44 5.294 22.701 1.450 1.00 75.21 C ATOM 660 C ILE A 44 5.285 21.466 2.343 1.00 20.24 C ATOM 661 O ILE A 44 4.361 21.239 3.123 1.00 14.21 O ATOM 662 CB ILE A 44 5.622 23.938 2.305 1.00 5.22 C ATOM 663 CG1 ILE A 44 6.162 25.067 1.425 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.626 23.580 3.391 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.084 25.810 0.668 1.00 74.32 C ATOM 0 H ILE A 44 3.453 23.637 1.084 1.00 50.11 H new ATOM 0 HA ILE A 44 6.061 22.586 0.684 1.00 75.21 H new ATOM 0 HB ILE A 44 4.705 24.283 2.783 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.709 25.773 2.049 1.00 22.10 H new ATOM 0 HG13 ILE A 44 6.875 24.652 0.713 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.848 24.465 3.987 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.207 22.806 4.033 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.544 23.213 2.931 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.539 26.596 0.065 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.552 25.116 0.018 1.00 74.32 H new ATOM 0 HD13 ILE A 44 4.383 26.254 1.375 1.00 74.32 H new ATOM 677 N PRO A 45 6.342 20.647 2.229 1.00 42.30 N ATOM 678 CA PRO A 45 6.481 19.421 3.021 1.00 74.53 C ATOM 679 C PRO A 45 6.741 19.709 4.496 1.00 40.33 C ATOM 680 O PRO A 45 7.610 20.512 4.839 1.00 40.12 O ATOM 681 CB PRO A 45 7.693 18.728 2.392 1.00 11.42 C ATOM 682 CG PRO A 45 8.483 19.831 1.778 1.00 55.22 C ATOM 683 CD PRO A 45 7.481 20.854 1.320 1.00 3.34 C ATOM 0 HA PRO A 45 5.571 18.821 3.004 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.276 18.193 3.141 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.387 17.996 1.644 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.178 20.261 2.499 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.078 19.466 0.941 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.877 21.867 1.396 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.197 20.700 0.279 1.00 3.34 H new ATOM 691 N LEU A 46 5.981 19.051 5.365 1.00 54.51 N ATOM 692 CA LEU A 46 6.128 19.237 6.805 1.00 11.22 C ATOM 693 C LEU A 46 7.309 18.433 7.339 1.00 63.13 C ATOM 694 O LEU A 46 7.259 17.204 7.398 1.00 34.03 O ATOM 695 CB LEU A 46 4.845 18.823 7.526 1.00 1.32 C ATOM 696 CG LEU A 46 4.034 19.955 8.157 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.357 20.791 7.083 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.005 19.397 9.130 1.00 1.43 C ATOM 0 H LEU A 46 5.257 18.384 5.098 1.00 54.51 H new ATOM 0 HA LEU A 46 6.317 20.294 6.993 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.206 18.298 6.816 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.106 18.110 8.308 1.00 1.32 H new ATOM 0 HG LEU A 46 4.717 20.599 8.712 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.785 21.591 7.552 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.113 21.222 6.427 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.687 20.160 6.499 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.437 20.217 9.569 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.326 18.730 8.599 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.513 18.844 9.920 1.00 1.43 H new ATOM 710 N ILE A 47 8.367 19.133 7.730 1.00 41.44 N ATOM 711 CA ILE A 47 9.559 18.484 8.264 1.00 1.41 C ATOM 712 C ILE A 47 9.229 17.673 9.512 1.00 65.02 C ATOM 713 O ILE A 47 8.769 18.217 10.517 1.00 61.11 O ATOM 714 CB ILE A 47 10.654 19.511 8.606 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.920 20.424 7.407 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.931 18.801 9.031 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.331 19.677 6.158 1.00 52.21 C ATOM 0 H ILE A 47 8.424 20.151 7.687 1.00 41.44 H new ATOM 0 HA ILE A 47 9.931 17.816 7.487 1.00 1.41 H new ATOM 0 HB ILE A 47 10.309 20.126 9.437 1.00 11.35 H new ATOM 0 HG12 ILE A 47 10.021 21.003 7.195 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.703 21.136 7.669 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.696 19.540 9.270 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.731 18.188 9.910 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.282 18.165 8.218 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.503 20.387 5.349 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.247 19.120 6.352 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.539 18.985 5.871 1.00 52.21 H new ATOM 729 N LYS A 48 9.471 16.368 9.445 1.00 55.44 N ATOM 730 CA LYS A 48 9.204 15.481 10.570 1.00 2.01 C ATOM 731 C LYS A 48 10.291 15.606 11.632 1.00 4.04 C ATOM 732 O LYS A 48 11.458 15.309 11.378 1.00 74.51 O ATOM 733 CB LYS A 48 9.110 14.030 10.091 1.00 32.12 C ATOM 734 CG LYS A 48 8.379 13.116 11.059 1.00 21.33 C ATOM 735 CD LYS A 48 8.202 11.722 10.482 1.00 65.24 C ATOM 736 CE LYS A 48 7.350 10.847 11.391 1.00 55.25 C ATOM 737 NZ LYS A 48 8.110 10.385 12.586 1.00 34.55 N1+ ATOM 0 H LYS A 48 9.852 15.901 8.622 1.00 55.44 H new ATOM 0 HA LYS A 48 8.252 15.774 11.013 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.601 14.007 9.127 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.116 13.644 9.929 1.00 32.12 H new ATOM 0 HG2 LYS A 48 8.935 13.056 11.995 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.403 13.540 11.295 1.00 21.33 H new ATOM 0 HD2 LYS A 48 7.736 11.790 9.499 1.00 65.24 H new ATOM 0 HD3 LYS A 48 9.178 11.259 10.340 1.00 65.24 H new ATOM 0 HE2 LYS A 48 6.471 11.405 11.713 1.00 55.25 H new ATOM 0 HE3 LYS A 48 6.992 9.983 10.832 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 7.496 9.792 13.180 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 8.935 9.831 12.280 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 8.430 11.209 13.134 1.00 34.55 H new ATOM 751 N SER A 49 9.900 16.048 12.824 1.00 14.13 N ATOM 752 CA SER A 49 10.843 16.215 13.924 1.00 33.35 C ATOM 753 C SER A 49 10.925 14.947 14.767 1.00 3.20 C ATOM 754 O SER A 49 10.299 13.935 14.449 1.00 64.42 O ATOM 755 CB SER A 49 10.430 17.399 14.801 1.00 31.23 C ATOM 756 OG SER A 49 11.533 17.896 15.539 1.00 51.25 O ATOM 0 H SER A 49 8.937 16.297 13.052 1.00 14.13 H new ATOM 0 HA SER A 49 11.828 16.412 13.500 1.00 33.35 H new ATOM 0 HB2 SER A 49 10.019 18.192 14.177 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.640 17.090 15.485 1.00 31.23 H new ATOM 0 HG SER A 49 11.244 18.653 16.090 1.00 51.25 H new ATOM 762 N HIS A 50 11.700 15.008 15.844 1.00 0.54 N ATOM 763 CA HIS A 50 11.865 13.865 16.735 1.00 22.21 C ATOM 764 C HIS A 50 10.629 13.676 17.609 1.00 65.22 C ATOM 765 O HIS A 50 10.436 12.618 18.207 1.00 14.41 O ATOM 766 CB HIS A 50 13.102 14.050 17.614 1.00 63.12 C ATOM 767 CG HIS A 50 13.653 12.765 18.150 1.00 21.12 C ATOM 768 ND1 HIS A 50 14.287 11.830 17.360 1.00 33.13 N ATOM 769 CD2 HIS A 50 13.664 12.263 19.407 1.00 30.03 C ATOM 770 CE1 HIS A 50 14.662 10.807 18.107 1.00 63.42 C ATOM 771 NE2 HIS A 50 14.296 11.045 19.353 1.00 44.14 N ATOM 0 H HIS A 50 12.224 15.838 16.122 1.00 0.54 H new ATOM 0 HA HIS A 50 11.995 12.973 16.122 1.00 22.21 H new ATOM 0 HB2 HIS A 50 13.876 14.555 17.036 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.850 14.704 18.449 1.00 63.12 H new ATOM 0 HD2 HIS A 50 13.252 12.733 20.288 1.00 30.03 H new ATOM 0 HE1 HIS A 50 15.180 9.926 17.758 1.00 63.42 H new ATOM 0 HE2 HIS A 50 14.457 10.425 20.147 1.00 44.14 H new ATOM 779 N ASN A 51 9.795 14.709 17.678 1.00 43.20 N ATOM 780 CA ASN A 51 8.578 14.656 18.481 1.00 41.32 C ATOM 781 C ASN A 51 7.340 14.619 17.590 1.00 42.34 C ATOM 782 O ASN A 51 6.490 13.739 17.726 1.00 61.52 O ATOM 783 CB ASN A 51 8.509 15.863 19.419 1.00 24.42 C ATOM 784 CG ASN A 51 9.161 17.096 18.825 1.00 75.52 C ATOM 785 OD1 ASN A 51 8.397 17.849 18.042 1.00 63.21 O flip ATOM 786 ND2 ASN A 51 10.337 17.368 19.068 1.00 63.41 N flip ATOM 0 H ASN A 51 9.939 15.592 17.188 1.00 43.20 H new ATOM 0 HA ASN A 51 8.604 13.743 19.076 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.466 16.082 19.649 1.00 24.42 H new ATOM 0 HB3 ASN A 51 8.998 15.615 20.361 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.886 16.760 19.676 1.00 63.41 H new ATOM 0 HD22 ASN A 51 10.762 18.201 18.662 1.00 63.41 H new ATOM 793 N ASP A 52 7.246 15.581 16.677 1.00 25.42 N ATOM 794 CA ASP A 52 6.113 15.658 15.763 1.00 63.14 C ATOM 795 C ASP A 52 6.503 16.377 14.475 1.00 70.31 C ATOM 796 O ASP A 52 7.667 16.724 14.273 1.00 74.35 O ATOM 797 CB ASP A 52 4.941 16.380 16.429 1.00 51.42 C ATOM 798 CG ASP A 52 4.584 15.783 17.776 1.00 61.33 C ATOM 799 OD1 ASP A 52 4.019 14.670 17.802 1.00 34.01 O ATOM 800 OD2 ASP A 52 4.870 16.431 18.805 1.00 71.33 O1- ATOM 0 H ASP A 52 7.941 16.317 16.551 1.00 25.42 H new ATOM 0 HA ASP A 52 5.809 14.641 15.514 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.192 17.433 16.556 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.071 16.337 15.773 1.00 51.42 H new ATOM 805 N PHE A 53 5.523 16.595 13.605 1.00 51.12 N ATOM 806 CA PHE A 53 5.763 17.270 12.335 1.00 12.33 C ATOM 807 C PHE A 53 5.752 18.786 12.514 1.00 22.10 C ATOM 808 O PHE A 53 5.011 19.319 13.340 1.00 32.20 O ATOM 809 CB PHE A 53 4.708 16.859 11.306 1.00 64.40 C ATOM 810 CG PHE A 53 4.935 15.491 10.729 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.772 15.315 9.638 1.00 54.43 C ATOM 812 CD2 PHE A 53 4.313 14.381 11.277 1.00 54.52 C ATOM 813 CE1 PHE A 53 5.981 14.058 9.104 1.00 14.33 C ATOM 814 CE2 PHE A 53 4.520 13.121 10.748 1.00 21.11 C ATOM 815 CZ PHE A 53 5.356 12.959 9.661 1.00 53.35 C ATOM 0 H PHE A 53 4.554 16.314 13.756 1.00 51.12 H new ATOM 0 HA PHE A 53 6.747 16.971 11.974 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.724 16.888 11.774 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.698 17.589 10.497 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.266 16.170 9.201 1.00 54.43 H new ATOM 0 HD2 PHE A 53 3.659 14.502 12.128 1.00 54.52 H new ATOM 0 HE1 PHE A 53 6.633 13.935 8.252 1.00 14.33 H new ATOM 0 HE2 PHE A 53 4.028 12.264 11.184 1.00 21.11 H new ATOM 0 HZ PHE A 53 5.521 11.975 9.247 1.00 53.35 H new ATOM 825 N VAL A 54 6.578 19.474 11.733 1.00 33.42 N ATOM 826 CA VAL A 54 6.664 20.928 11.804 1.00 40.41 C ATOM 827 C VAL A 54 7.043 21.523 10.453 1.00 3.45 C ATOM 828 O VAL A 54 7.859 20.959 9.722 1.00 74.24 O ATOM 829 CB VAL A 54 7.693 21.379 12.858 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.226 21.002 14.256 1.00 24.21 C ATOM 831 CG2 VAL A 54 9.058 20.775 12.563 1.00 4.44 C ATOM 0 H VAL A 54 7.197 19.048 11.044 1.00 33.42 H new ATOM 0 HA VAL A 54 5.677 21.289 12.093 1.00 40.41 H new ATOM 0 HB VAL A 54 7.783 22.464 12.811 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.966 21.329 14.987 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.272 21.486 14.464 1.00 24.21 H new ATOM 0 HG13 VAL A 54 7.105 19.921 14.320 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.772 21.104 13.318 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.986 19.688 12.581 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.395 21.100 11.578 1.00 4.44 H new ATOM 841 N ALA A 55 6.447 22.665 10.127 1.00 33.42 N ATOM 842 CA ALA A 55 6.725 23.337 8.864 1.00 64.34 C ATOM 843 C ALA A 55 6.800 24.849 9.052 1.00 43.12 C ATOM 844 O ALA A 55 5.906 25.455 9.643 1.00 20.33 O ATOM 845 CB ALA A 55 5.663 22.985 7.833 1.00 75.11 C ATOM 0 H ALA A 55 5.769 23.144 10.720 1.00 33.42 H new ATOM 0 HA ALA A 55 7.694 22.992 8.504 1.00 64.34 H new ATOM 0 HB1 ALA A 55 5.884 23.494 6.895 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.658 21.907 7.669 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.685 23.301 8.196 1.00 75.11 H new ATOM 851 N ILE A 56 7.871 25.451 8.547 1.00 4.32 N ATOM 852 CA ILE A 56 8.062 26.892 8.659 1.00 62.15 C ATOM 853 C ILE A 56 7.691 27.598 7.359 1.00 1.24 C ATOM 854 O ILE A 56 8.350 27.422 6.334 1.00 41.11 O ATOM 855 CB ILE A 56 9.516 27.241 9.024 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.925 26.533 10.317 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.681 28.746 9.163 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.503 25.152 10.095 1.00 22.53 C ATOM 0 H ILE A 56 8.620 24.963 8.056 1.00 4.32 H new ATOM 0 HA ILE A 56 7.404 27.236 9.457 1.00 62.15 H new ATOM 0 HB ILE A 56 10.168 26.896 8.222 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.660 27.145 10.840 1.00 12.24 H new ATOM 0 HG13 ILE A 56 9.055 26.453 10.969 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.715 28.976 9.421 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.427 29.229 8.219 1.00 20.32 H new ATOM 0 HG23 ILE A 56 9.020 29.113 9.948 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.770 24.711 11.055 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.763 24.523 9.600 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.393 25.226 9.470 1.00 22.53 H new ATOM 870 N LEU A 57 6.633 28.401 7.410 1.00 53.34 N ATOM 871 CA LEU A 57 6.176 29.138 6.237 1.00 41.32 C ATOM 872 C LEU A 57 6.709 30.567 6.249 1.00 4.44 C ATOM 873 O LEU A 57 7.326 31.002 7.221 1.00 25.01 O ATOM 874 CB LEU A 57 4.647 29.152 6.185 1.00 22.14 C ATOM 875 CG LEU A 57 3.969 27.793 6.014 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.482 27.896 6.315 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.193 27.256 4.609 1.00 54.43 C ATOM 0 H LEU A 57 6.076 28.558 8.250 1.00 53.34 H new ATOM 0 HA LEU A 57 6.560 28.635 5.349 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.276 29.607 7.103 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.337 29.796 5.362 1.00 22.14 H new ATOM 0 HG LEU A 57 4.416 27.096 6.723 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.016 26.919 6.188 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.341 28.234 7.342 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.021 28.609 5.632 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.703 26.288 4.507 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.775 27.953 3.882 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.262 27.142 4.429 1.00 54.43 H new ATOM 889 N ASP A 58 6.465 31.293 5.164 1.00 22.22 N ATOM 890 CA ASP A 58 6.917 32.674 5.050 1.00 23.10 C ATOM 891 C ASP A 58 5.754 33.601 4.711 1.00 53.11 C ATOM 892 O ASP A 58 5.340 33.699 3.554 1.00 71.11 O ATOM 893 CB ASP A 58 8.006 32.791 3.983 1.00 60.34 C ATOM 894 CG ASP A 58 7.565 32.236 2.643 1.00 4.33 C ATOM 895 OD1 ASP A 58 7.603 31.000 2.471 1.00 64.40 O1- ATOM 896 OD2 ASP A 58 7.183 33.039 1.766 1.00 31.41 O ATOM 0 H ASP A 58 5.956 30.948 4.350 1.00 22.22 H new ATOM 0 HA ASP A 58 7.329 32.975 6.013 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.284 33.838 3.865 1.00 60.34 H new ATOM 0 HB3 ASP A 58 8.897 32.260 4.318 1.00 60.34 H new ATOM 901 N LEU A 59 5.228 34.279 5.725 1.00 12.41 N ATOM 902 CA LEU A 59 4.112 35.198 5.534 1.00 61.11 C ATOM 903 C LEU A 59 4.456 36.589 6.056 1.00 53.10 C ATOM 904 O LEU A 59 5.302 36.758 6.934 1.00 43.12 O ATOM 905 CB LEU A 59 2.864 34.669 6.244 1.00 61.24 C ATOM 906 CG LEU A 59 2.728 33.148 6.317 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.412 32.760 6.974 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.833 32.535 4.929 1.00 1.12 C ATOM 0 H LEU A 59 5.557 34.209 6.688 1.00 12.41 H new ATOM 0 HA LEU A 59 3.912 35.271 4.465 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.853 35.064 7.260 1.00 61.24 H new ATOM 0 HB3 LEU A 59 1.985 35.069 5.738 1.00 61.24 H new ATOM 0 HG LEU A 59 3.544 32.759 6.927 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.333 31.674 7.017 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.376 33.167 7.985 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.582 33.161 6.392 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.734 31.452 5.001 1.00 1.12 H new ATOM 0 HD22 LEU A 59 2.039 32.931 4.296 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.801 32.783 4.494 1.00 1.12 H new ATOM 920 N PRO A 60 3.784 37.611 5.507 1.00 72.34 N ATOM 921 CA PRO A 60 3.999 39.006 5.903 1.00 43.15 C ATOM 922 C PRO A 60 3.483 39.295 7.308 1.00 50.24 C ATOM 923 O PRO A 60 4.232 39.220 8.282 1.00 44.12 O ATOM 924 CB PRO A 60 3.198 39.797 4.866 1.00 2.43 C ATOM 925 CG PRO A 60 2.143 38.853 4.401 1.00 40.55 C ATOM 926 CD PRO A 60 2.761 37.484 4.455 1.00 50.31 C ATOM 0 HA PRO A 60 5.058 39.263 5.930 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.761 40.694 5.304 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.831 40.121 4.040 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.261 38.909 5.039 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.820 39.096 3.389 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.024 36.720 4.702 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.202 37.204 3.498 1.00 50.31 H new ATOM 934 N GLU A 61 2.199 39.626 7.406 1.00 62.44 N ATOM 935 CA GLU A 61 1.585 39.927 8.693 1.00 50.50 C ATOM 936 C GLU A 61 0.098 40.232 8.529 1.00 12.05 C ATOM 937 O GLU A 61 -0.277 41.256 7.961 1.00 32.42 O ATOM 938 CB GLU A 61 2.290 41.112 9.356 1.00 73.34 C ATOM 939 CG GLU A 61 1.575 41.632 10.592 1.00 52.41 C ATOM 940 CD GLU A 61 0.502 42.651 10.259 1.00 72.55 C ATOM 941 OE1 GLU A 61 0.856 43.755 9.794 1.00 35.02 O1- ATOM 942 OE2 GLU A 61 -0.691 42.346 10.466 1.00 43.41 O ATOM 0 H GLU A 61 1.565 39.692 6.610 1.00 62.44 H new ATOM 0 HA GLU A 61 1.690 39.049 9.330 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.302 40.815 9.630 1.00 73.34 H new ATOM 0 HB3 GLU A 61 2.381 41.921 8.632 1.00 73.34 H new ATOM 0 HG2 GLU A 61 1.124 40.795 11.125 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.303 42.084 11.266 1.00 52.41 H new ATOM 949 N GLY A 62 -0.744 39.333 9.030 1.00 54.52 N ATOM 950 CA GLY A 62 -2.179 39.523 8.929 1.00 52.00 C ATOM 951 C GLY A 62 -2.947 38.224 9.070 1.00 61.55 C ATOM 952 O GLY A 62 -2.881 37.566 10.108 1.00 51.12 O ATOM 0 H GLY A 62 -0.458 38.476 9.504 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.505 40.220 9.701 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.415 39.979 7.967 1.00 52.00 H new ATOM 956 N GLU A 63 -3.680 37.854 8.024 1.00 53.44 N ATOM 957 CA GLU A 63 -4.466 36.626 8.039 1.00 52.42 C ATOM 958 C GLU A 63 -4.258 35.833 6.752 1.00 71.45 C ATOM 959 O GLU A 63 -4.302 36.416 5.669 1.00 35.41 O ATOM 960 CB GLU A 63 -5.951 36.948 8.218 1.00 13.45 C ATOM 961 CG GLU A 63 -6.870 35.791 7.865 1.00 1.11 C ATOM 962 CD GLU A 63 -8.200 35.860 8.590 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.235 36.399 9.716 1.00 62.20 O1- ATOM 964 OE2 GLU A 63 -9.206 35.376 8.031 1.00 35.44 O ATOM 0 H GLU A 63 -3.746 38.387 7.157 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.129 36.018 8.879 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.129 37.240 9.253 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.206 37.806 7.596 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -7.047 35.787 6.789 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.375 34.851 8.110 1.00 1.11 H new ATOM 971 N HIS A 64 -4.037 34.534 6.896 1.00 3.13 N ATOM 972 CA HIS A 64 -3.824 33.678 5.742 1.00 20.42 C ATOM 973 C HIS A 64 -4.482 32.318 5.983 1.00 42.53 C ATOM 974 O HIS A 64 -4.543 31.814 7.104 1.00 73.42 O ATOM 975 CB HIS A 64 -2.334 33.567 5.415 1.00 3.20 C ATOM 976 CG HIS A 64 -1.576 34.865 5.553 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.109 35.512 6.660 1.00 32.22 N flip ATOM 978 CD2 HIS A 64 -1.223 35.646 4.466 1.00 2.30 C flip ATOM 979 CE1 HIS A 64 -0.503 36.627 6.270 1.00 4.25 C flip ATOM 980 NE2 HIS A 64 -0.573 36.712 4.911 1.00 51.03 N flip ATOM 0 H HIS A 64 -4.001 34.054 7.795 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.296 34.120 4.865 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.883 32.823 6.072 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.223 33.200 4.395 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.440 35.424 3.432 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.032 37.348 6.922 1.00 4.25 H new ATOM 0 HE2 HIS A 64 -0.192 37.464 4.337 1.00 51.03 H new ATOM 988 N GLN A 65 -4.976 31.731 4.897 1.00 53.30 N ATOM 989 CA GLN A 65 -5.634 30.432 4.963 1.00 30.02 C ATOM 990 C GLN A 65 -4.639 29.305 4.703 1.00 12.33 C ATOM 991 O GLN A 65 -3.613 29.506 4.052 1.00 60.12 O ATOM 992 CB GLN A 65 -6.776 30.364 3.949 1.00 12.55 C ATOM 993 CG GLN A 65 -8.081 30.950 4.462 1.00 10.33 C ATOM 994 CD GLN A 65 -8.657 30.165 5.623 1.00 53.50 C ATOM 995 OE1 GLN A 65 -9.025 30.735 6.651 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.738 28.848 5.467 1.00 52.31 N ATOM 0 H GLN A 65 -4.933 32.135 3.961 1.00 53.30 H new ATOM 0 HA GLN A 65 -6.041 30.309 5.967 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.480 30.895 3.044 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.940 29.324 3.668 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.914 31.981 4.773 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.807 30.976 3.650 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.421 28.417 4.598 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.117 28.268 6.216 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.948 28.120 5.217 1.00 44.22 N ATOM 1006 CA TYR A 66 -4.081 26.961 5.045 1.00 44.05 C ATOM 1007 C TYR A 66 -4.810 25.674 5.417 1.00 74.13 C ATOM 1008 O TYR A 66 -5.890 25.706 6.008 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.819 27.110 5.896 1.00 51.25 C ATOM 1010 CG TYR A 66 -3.032 26.779 7.355 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.829 27.580 8.162 1.00 60.42 C ATOM 1012 CD2 TYR A 66 -2.434 25.662 7.929 1.00 33.23 C ATOM 1013 CE1 TYR A 66 -4.024 27.281 9.497 1.00 74.14 C ATOM 1014 CE2 TYR A 66 -2.626 25.354 9.261 1.00 54.24 C ATOM 1015 CZ TYR A 66 -3.421 26.167 10.042 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.615 25.865 11.370 1.00 4.23 O ATOM 0 H TYR A 66 -5.794 27.937 5.757 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.798 26.905 3.994 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -2.041 26.461 5.494 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.454 28.134 5.814 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.305 28.452 7.739 1.00 60.42 H new ATOM 0 HD2 TYR A 66 -1.808 25.024 7.322 1.00 33.23 H new ATOM 0 HE1 TYR A 66 -4.645 27.917 10.110 1.00 74.14 H new ATOM 0 HE2 TYR A 66 -2.156 24.481 9.689 1.00 54.24 H new ATOM 0 HH TYR A 66 -4.105 25.019 11.445 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.212 24.540 5.067 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.801 23.240 5.366 1.00 53.24 C ATOM 1028 C LYS A 67 -3.717 22.184 5.561 1.00 15.33 C ATOM 1029 O LYS A 67 -2.542 22.426 5.283 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.745 22.814 4.239 1.00 51.31 C ATOM 1031 CG LYS A 67 -5.052 22.632 2.901 1.00 50.42 C ATOM 1032 CD LYS A 67 -4.653 21.183 2.672 1.00 54.14 C ATOM 1033 CE LYS A 67 -3.506 21.071 1.680 1.00 21.22 C ATOM 1034 NZ LYS A 67 -3.984 21.131 0.270 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.319 24.495 4.576 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.368 23.330 6.293 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.230 21.879 4.517 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -6.531 23.562 4.133 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -5.715 22.959 2.100 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -4.166 23.265 2.860 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -4.361 20.731 3.620 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -5.511 20.622 2.302 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -2.793 21.877 1.856 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -2.974 20.134 1.844 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -3.319 20.619 -0.344 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -4.925 20.693 0.203 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -4.042 22.124 -0.035 1.00 73.50 H new ATOM 1048 N PHE A 68 -4.120 21.011 6.041 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.183 19.918 6.273 1.00 43.24 C ATOM 1050 C PHE A 68 -3.421 18.780 5.286 1.00 51.11 C ATOM 1051 O PHE A 68 -4.549 18.543 4.854 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.315 19.401 7.707 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.587 20.241 8.717 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.211 20.389 8.651 1.00 41.10 C ATOM 1055 CD2 PHE A 68 -3.279 20.885 9.731 1.00 14.15 C ATOM 1056 CE1 PHE A 68 -0.539 21.161 9.580 1.00 25.24 C ATOM 1057 CE2 PHE A 68 -2.611 21.658 10.662 1.00 73.42 C ATOM 1058 CZ PHE A 68 -1.240 21.797 10.586 1.00 11.45 C ATOM 0 H PHE A 68 -5.088 20.794 6.276 1.00 0.43 H new ATOM 0 HA PHE A 68 -2.173 20.300 6.124 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.371 19.360 7.974 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.935 18.381 7.753 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.658 19.896 7.865 1.00 41.10 H new ATOM 0 HD2 PHE A 68 -4.352 20.782 9.794 1.00 14.15 H new ATOM 0 HE1 PHE A 68 0.534 21.267 9.519 1.00 25.24 H new ATOM 0 HE2 PHE A 68 -3.162 22.153 11.448 1.00 73.42 H new ATOM 0 HZ PHE A 68 -0.716 22.402 11.312 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.349 18.078 4.932 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.440 16.965 3.994 1.00 72.31 C ATOM 1070 C PHE A 69 -1.625 15.771 4.486 1.00 34.23 C ATOM 1071 O PHE A 69 -0.396 15.773 4.416 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.950 17.395 2.610 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.635 16.678 1.482 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -4.017 16.676 1.383 1.00 61.42 C ATOM 1075 CD2 PHE A 69 -1.897 16.005 0.521 1.00 34.50 C ATOM 1076 CE1 PHE A 69 -4.651 16.017 0.346 1.00 54.41 C ATOM 1077 CE2 PHE A 69 -2.525 15.346 -0.518 1.00 50.31 C ATOM 1078 CZ PHE A 69 -3.904 15.350 -0.605 1.00 73.11 C ATOM 0 H PHE A 69 -1.408 18.260 5.280 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.486 16.666 3.925 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -2.105 18.468 2.496 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.876 17.219 2.543 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.606 17.195 2.125 1.00 61.42 H new ATOM 0 HD2 PHE A 69 -0.819 15.996 0.585 1.00 34.50 H new ATOM 0 HE1 PHE A 69 -5.729 16.024 0.280 1.00 54.41 H new ATOM 0 HE2 PHE A 69 -1.938 14.828 -1.262 1.00 50.31 H new ATOM 0 HZ PHE A 69 -4.397 14.833 -1.415 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.320 14.754 4.985 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.663 13.554 5.489 1.00 12.31 C ATOM 1090 C VAL A 70 -2.163 12.309 4.765 1.00 74.44 C ATOM 1091 O VAL A 70 -3.367 12.129 4.578 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.891 13.382 7.002 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.048 12.236 7.543 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.580 14.676 7.738 1.00 33.01 C ATOM 0 H VAL A 70 -3.338 14.737 5.051 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.596 13.675 5.302 1.00 12.31 H new ATOM 0 HB VAL A 70 -2.941 13.139 7.168 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.223 12.130 8.614 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.324 11.311 7.037 1.00 42.23 H new ATOM 0 HG13 VAL A 70 0.007 12.445 7.366 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.747 14.536 8.806 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.539 14.951 7.566 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.231 15.469 7.370 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.233 11.451 4.361 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.578 10.221 3.660 1.00 43.14 C ATOM 1106 C ASP A 71 -2.489 10.512 2.470 1.00 50.35 C ATOM 1107 O ASP A 71 -3.473 9.810 2.242 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.263 9.240 4.613 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.380 8.863 5.786 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -0.229 9.341 5.840 1.00 33.12 O1- ATOM 1111 OD2 ASP A 71 -1.842 8.088 6.652 1.00 70.50 O ATOM 0 H ASP A 71 -0.233 11.586 4.508 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.656 9.772 3.290 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -3.187 9.684 4.985 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -2.540 8.339 4.066 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.152 11.552 1.714 1.00 50.22 N ATOM 1117 CA GLY A 72 -2.949 11.918 0.558 1.00 61.42 C ATOM 1118 C GLY A 72 -4.402 12.167 0.911 1.00 44.45 C ATOM 1119 O GLY A 72 -5.281 12.069 0.055 1.00 1.33 O ATOM 0 H GLY A 72 -1.341 12.148 1.881 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.530 12.815 0.101 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.890 11.124 -0.186 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.655 12.489 2.175 1.00 51.05 N ATOM 1124 CA GLN A 73 -6.013 12.750 2.639 1.00 43.53 C ATOM 1125 C GLN A 73 -6.131 14.158 3.213 1.00 15.15 C ATOM 1126 O GLN A 73 -5.129 14.781 3.566 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.420 11.721 3.695 1.00 0.22 C ATOM 1128 CG GLN A 73 -6.829 10.379 3.110 1.00 40.22 C ATOM 1129 CD GLN A 73 -7.922 10.506 2.068 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -7.851 9.898 0.999 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -8.945 11.297 2.374 1.00 65.41 N ATOM 0 H GLN A 73 -3.939 12.575 2.896 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.684 12.668 1.784 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.588 11.570 4.383 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.248 12.121 4.280 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -5.958 9.902 2.661 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -7.172 9.726 3.913 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -8.964 11.782 3.271 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -9.711 11.419 1.712 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.359 14.655 3.302 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.607 15.990 3.832 1.00 50.15 C ATOM 1142 C TRP A 74 -8.019 15.926 5.299 1.00 34.22 C ATOM 1143 O TRP A 74 -8.935 15.189 5.665 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.693 16.693 3.016 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.358 16.808 1.559 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.441 15.821 0.618 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.888 17.976 0.877 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.050 16.304 -0.607 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.706 17.624 -0.475 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -7.604 19.284 1.276 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -7.253 18.534 -1.426 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -7.154 20.186 0.332 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -6.983 19.809 -1.007 1.00 51.10 C ATOM 0 H TRP A 74 -8.199 14.153 3.014 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.681 16.560 3.758 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.630 16.147 3.124 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.856 17.690 3.424 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -8.766 14.809 0.809 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.020 15.767 -1.474 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -7.734 19.585 2.305 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -7.119 18.244 -2.458 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -6.930 21.199 0.631 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -6.632 20.538 -1.722 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.337 16.703 6.135 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.634 16.734 7.562 1.00 44.01 C ATOM 1166 C VAL A 75 -7.524 18.150 8.116 1.00 31.52 C ATOM 1167 O VAL A 75 -6.902 19.021 7.505 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.687 15.811 8.353 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -6.854 14.367 7.906 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.245 16.265 8.193 1.00 31.10 C ATOM 0 H VAL A 75 -6.576 17.319 5.849 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.658 16.379 7.679 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.947 15.871 9.410 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.178 13.729 8.475 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -7.882 14.050 8.078 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.622 14.286 6.844 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.590 15.602 8.758 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.969 16.236 7.139 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -5.141 17.283 8.567 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.130 18.376 9.277 1.00 63.01 N ATOM 1181 CA HIS A 76 -8.100 19.688 9.913 1.00 74.30 C ATOM 1182 C HIS A 76 -7.443 19.609 11.288 1.00 62.21 C ATOM 1183 O HIS A 76 -7.208 18.520 11.813 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.517 20.248 10.043 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.321 19.598 11.127 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.482 19.929 12.429 1.00 13.43 N flip ATOM 1187 CD2 HIS A 76 -11.077 18.463 10.925 1.00 41.33 C flip ATOM 1188 CE1 HIS A 76 -11.326 18.999 12.984 1.00 11.05 C flip ATOM 1189 NE2 HIS A 76 -11.671 18.126 12.056 1.00 32.15 N flip ATOM 0 H HIS A 76 -8.648 17.667 9.797 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.510 20.356 9.285 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.459 21.319 10.237 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -10.036 20.124 9.093 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -11.169 17.932 9.989 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -11.654 18.984 14.013 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -12.291 17.327 12.189 1.00 32.15 H new ATOM 1197 N ASP A 77 -7.149 20.769 11.865 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.520 20.831 13.180 1.00 33.21 C ATOM 1199 C ASP A 77 -7.549 21.149 14.260 1.00 70.34 C ATOM 1200 O ASP A 77 -8.161 22.217 14.273 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.410 21.884 13.187 1.00 62.43 C ATOM 1202 CG ASP A 77 -5.780 23.120 12.391 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -6.761 23.795 12.764 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -5.087 23.411 11.393 1.00 41.33 O ATOM 0 H ASP A 77 -7.336 21.679 11.443 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.085 19.855 13.396 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -5.191 22.170 14.216 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -4.499 21.450 12.776 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.745 20.202 15.188 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.700 20.358 16.290 1.00 45.12 C ATOM 1211 C PRO A 78 -8.244 21.398 17.308 1.00 52.21 C ATOM 1212 O PRO A 78 -9.064 22.106 17.894 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.736 18.966 16.928 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.419 18.358 16.586 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.049 18.904 15.234 1.00 33.02 C ATOM 0 HA PRO A 78 -9.672 20.707 15.941 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.875 19.029 18.007 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.561 18.371 16.535 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.665 18.615 17.330 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.486 17.270 16.563 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.970 19.022 15.130 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.376 18.244 14.431 1.00 33.02 H new ATOM 1223 N SER A 79 -6.934 21.486 17.513 1.00 35.34 N ATOM 1224 CA SER A 79 -6.372 22.439 18.462 1.00 5.14 C ATOM 1225 C SER A 79 -6.395 23.853 17.892 1.00 2.34 C ATOM 1226 O SER A 79 -6.464 24.832 18.635 1.00 53.41 O ATOM 1227 CB SER A 79 -4.938 22.046 18.821 1.00 42.01 C ATOM 1228 OG SER A 79 -4.911 21.184 19.946 1.00 3.14 O ATOM 0 H SER A 79 -6.242 20.909 17.035 1.00 35.34 H new ATOM 0 HA SER A 79 -6.984 22.420 19.363 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.469 21.553 17.970 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.354 22.942 19.032 1.00 42.01 H new ATOM 0 HG SER A 79 -3.983 20.946 20.154 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.340 23.952 16.567 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.353 25.246 15.897 1.00 31.11 C ATOM 1236 C GLU A 80 -7.734 25.544 15.319 1.00 4.43 C ATOM 1237 O GLU A 80 -8.561 24.652 15.129 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.305 25.281 14.784 1.00 21.12 C ATOM 1239 CG GLU A 80 -4.004 25.952 15.195 1.00 61.25 C ATOM 1240 CD GLU A 80 -2.963 25.929 14.092 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -2.506 24.825 13.729 1.00 54.30 O1- ATOM 1242 OE2 GLU A 80 -2.605 27.016 13.593 1.00 23.05 O ATOM 0 H GLU A 80 -6.286 23.151 15.937 1.00 34.21 H new ATOM 0 HA GLU A 80 -6.113 26.011 16.635 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.093 24.261 14.464 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.719 25.806 13.923 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -4.206 26.985 15.478 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.604 25.452 16.077 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.991 26.829 15.031 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.270 27.275 14.471 1.00 12.23 C ATOM 1251 C PRO A 81 -9.463 26.813 13.031 1.00 54.22 C ATOM 1252 O PRO A 81 -8.573 26.964 12.195 1.00 51.34 O ATOM 1253 CB PRO A 81 -9.171 28.802 14.534 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.709 29.088 14.510 1.00 44.41 C ATOM 1255 CD PRO A 81 -7.051 27.945 15.232 1.00 34.31 C ATOM 0 HA PRO A 81 -10.120 26.866 15.018 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.679 29.267 13.689 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.636 29.192 15.440 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.343 29.165 13.486 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.489 30.037 14.999 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -6.067 27.721 14.819 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.910 28.166 16.290 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.634 26.250 12.748 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.946 25.767 11.408 1.00 44.45 C ATOM 1265 C VAL A 82 -12.046 26.604 10.765 1.00 64.55 C ATOM 1266 O VAL A 82 -12.896 27.166 11.454 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.385 24.292 11.431 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.297 23.419 12.038 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.692 24.136 12.195 1.00 72.14 C ATOM 0 H VAL A 82 -11.382 26.117 13.429 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.034 25.857 10.819 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.549 23.965 10.404 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.626 22.380 12.045 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.387 23.507 11.445 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.097 23.744 13.059 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -12.987 23.087 12.201 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.558 24.481 13.220 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.469 24.729 11.712 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.025 26.681 9.437 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.021 27.447 8.700 1.00 1.01 C ATOM 1281 C VAL A 83 -13.830 26.548 7.773 1.00 10.44 C ATOM 1282 O VAL A 83 -13.550 25.356 7.645 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.366 28.567 7.869 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.471 29.429 8.745 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.581 27.977 6.707 1.00 11.55 C ATOM 0 H VAL A 83 -11.328 26.221 8.851 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.686 27.895 9.439 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.153 29.201 7.462 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -11.017 30.214 8.140 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -12.065 29.880 9.539 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.688 28.811 9.184 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.125 28.782 6.130 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.802 27.319 7.091 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.253 27.407 6.066 1.00 11.55 H new ATOM 1295 N THR A 84 -14.837 27.126 7.126 1.00 44.21 N ATOM 1296 CA THR A 84 -15.688 26.378 6.210 1.00 74.32 C ATOM 1297 C THR A 84 -15.749 27.048 4.842 1.00 53.33 C ATOM 1298 O THR A 84 -16.216 28.181 4.716 1.00 51.12 O ATOM 1299 CB THR A 84 -17.119 26.234 6.763 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.099 26.289 8.194 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.746 24.925 6.308 1.00 25.03 C ATOM 0 H THR A 84 -15.083 28.111 7.220 1.00 44.21 H new ATOM 0 HA THR A 84 -15.245 25.388 6.106 1.00 74.32 H new ATOM 0 HB THR A 84 -17.719 27.058 6.377 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.012 26.199 8.538 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.756 24.846 6.711 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.787 24.900 5.219 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.145 24.090 6.668 1.00 25.03 H new ATOM 1309 N SER A 85 -15.275 26.343 3.820 1.00 12.31 N ATOM 1310 CA SER A 85 -15.272 26.872 2.462 1.00 62.15 C ATOM 1311 C SER A 85 -16.659 26.761 1.834 1.00 62.25 C ATOM 1312 O SER A 85 -17.561 26.147 2.400 1.00 25.40 O ATOM 1313 CB SER A 85 -14.250 26.125 1.602 1.00 73.20 C ATOM 1314 OG SER A 85 -12.943 26.634 1.808 1.00 45.01 O ATOM 0 H SER A 85 -14.888 25.403 3.907 1.00 12.31 H new ATOM 0 HA SER A 85 -14.995 27.925 2.509 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.273 25.063 1.845 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.518 26.217 0.550 1.00 73.20 H new ATOM 0 HG SER A 85 -12.308 26.140 1.249 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.818 27.362 0.658 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.094 27.333 -0.047 1.00 2.41 C ATOM 1322 C GLN A 86 -18.430 25.917 -0.504 1.00 50.10 C ATOM 1323 O GLN A 86 -19.597 25.582 -0.714 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.056 28.275 -1.252 1.00 4.33 C ATOM 1325 CG GLN A 86 -18.142 29.745 -0.877 1.00 61.13 C ATOM 1326 CD GLN A 86 -19.571 30.224 -0.714 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -20.471 29.784 -1.431 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -19.789 31.128 0.232 1.00 50.44 N ATOM 0 H GLN A 86 -16.080 27.874 0.175 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.870 27.667 0.642 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.134 28.104 -1.808 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -18.881 28.030 -1.920 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.599 29.911 0.054 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -17.649 30.341 -1.645 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -19.014 31.465 0.803 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -20.731 31.486 0.388 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.402 25.090 -0.657 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.589 23.709 -1.089 1.00 32.15 C ATOM 1339 C LEU A 87 -18.071 22.837 0.066 1.00 71.20 C ATOM 1340 O LEU A 87 -18.579 21.736 -0.145 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.281 23.150 -1.654 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.420 22.020 -2.675 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -16.697 22.584 -4.060 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -15.167 21.157 -2.690 1.00 21.21 C ATOM 0 H LEU A 87 -16.431 25.351 -0.488 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.350 23.698 -1.870 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -15.731 23.968 -2.119 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -15.674 22.790 -0.823 1.00 52.11 H new ATOM 0 HG LEU A 87 -17.264 21.395 -2.384 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -16.793 21.766 -4.774 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -17.623 23.159 -4.040 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -15.874 23.232 -4.360 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -15.284 20.358 -3.422 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -14.306 21.770 -2.956 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -15.012 20.724 -1.702 1.00 21.21 H new ATOM 1356 N GLY A 88 -17.911 23.339 1.287 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.337 22.593 2.457 1.00 24.33 C ATOM 1358 C GLY A 88 -17.212 21.784 3.070 1.00 1.42 C ATOM 1359 O GLY A 88 -17.452 20.870 3.860 1.00 3.52 O ATOM 0 H GLY A 88 -17.494 24.248 1.487 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.730 23.285 3.202 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.152 21.924 2.181 1.00 24.33 H new ATOM 1363 N THR A 89 -15.977 22.117 2.705 1.00 71.55 N ATOM 1364 CA THR A 89 -14.811 21.413 3.222 1.00 55.20 C ATOM 1365 C THR A 89 -14.156 22.194 4.356 1.00 10.24 C ATOM 1366 O THR A 89 -13.904 23.393 4.232 1.00 41.43 O ATOM 1367 CB THR A 89 -13.769 21.164 2.116 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.135 22.396 1.753 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.420 20.543 0.889 1.00 71.24 C ATOM 0 H THR A 89 -15.759 22.871 2.053 1.00 71.55 H new ATOM 0 HA THR A 89 -15.163 20.454 3.601 1.00 55.20 H new ATOM 0 HB THR A 89 -13.021 20.471 2.502 1.00 22.31 H new ATOM 0 HG1 THR A 89 -13.326 23.075 2.433 1.00 42.53 H new ATOM 0 HG21 THR A 89 -13.664 20.376 0.121 1.00 71.24 H new ATOM 0 HG22 THR A 89 -14.876 19.591 1.162 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.186 21.216 0.504 1.00 71.24 H new ATOM 1377 N ILE A 90 -13.882 21.506 5.459 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.253 22.137 6.614 1.00 62.33 C ATOM 1379 C ILE A 90 -11.811 22.529 6.309 1.00 55.32 C ATOM 1380 O ILE A 90 -11.043 21.738 5.766 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.270 21.206 7.841 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.705 20.796 8.177 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.617 21.890 9.033 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.623 21.968 8.444 1.00 10.43 C ATOM 0 H ILE A 90 -14.085 20.513 5.578 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.831 23.033 6.838 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.701 20.307 7.605 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.109 20.209 7.352 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.693 20.148 9.053 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.636 21.220 9.893 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.584 22.138 8.789 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.162 22.803 9.272 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.623 21.601 8.675 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.243 22.543 9.289 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.665 22.606 7.561 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.452 23.759 6.665 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.102 24.258 6.431 1.00 52.40 C ATOM 1398 C ASN A 91 -9.504 24.833 7.711 1.00 14.34 C ATOM 1399 O ASN A 91 -10.132 24.804 8.769 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.113 25.327 5.335 1.00 44.32 C ATOM 1401 CG ASN A 91 -9.888 24.742 3.954 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -9.805 23.525 3.789 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.787 25.609 2.954 1.00 51.12 N ATOM 0 H ASN A 91 -12.077 24.427 7.116 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.484 23.421 6.107 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.068 25.852 5.353 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.339 26.066 5.544 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.634 25.275 2.003 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.862 26.610 3.137 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.286 25.355 7.607 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.604 25.937 8.757 1.00 25.44 C ATOM 1412 C ASN A 92 -7.234 27.393 8.490 1.00 42.41 C ATOM 1413 O ASN A 92 -6.793 27.742 7.395 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.345 25.133 9.090 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.586 23.636 9.042 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -7.701 23.198 9.615 1.00 14.31 O flip ATOM 1417 ND2 ASN A 92 -5.779 22.883 8.496 1.00 64.12 N flip ATOM 0 H ASN A 92 -7.752 25.387 6.739 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.285 25.903 9.607 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.554 25.394 8.387 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -5.992 25.410 10.084 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -4.935 23.264 8.068 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -5.955 21.879 8.471 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.416 28.237 9.499 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.101 29.656 9.376 1.00 13.40 C ATOM 1426 C LEU A 93 -5.943 30.040 10.291 1.00 33.45 C ATOM 1427 O LEU A 93 -5.964 29.751 11.488 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.332 30.503 9.708 1.00 61.04 C ATOM 1429 CG LEU A 93 -8.091 32.005 9.860 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.482 32.579 8.591 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.390 32.722 10.201 1.00 44.50 C ATOM 0 H LEU A 93 -7.780 27.964 10.412 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.803 29.848 8.345 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -9.075 30.352 8.924 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.766 30.129 10.635 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.388 32.159 10.678 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.318 33.649 8.718 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.530 32.087 8.389 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.161 32.413 7.754 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.199 33.790 10.305 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.116 32.559 9.404 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.786 32.331 11.138 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.936 30.692 9.721 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.771 31.118 10.487 1.00 23.02 C ATOM 1445 C ILE A 94 -3.576 32.627 10.398 1.00 33.42 C ATOM 1446 O ILE A 94 -3.825 33.236 9.357 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.490 30.416 9.999 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.279 30.906 10.796 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.286 30.659 8.511 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.263 29.823 11.081 1.00 55.11 C ATOM 0 H ILE A 94 -4.903 30.937 8.731 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.956 30.839 11.524 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.597 29.343 10.160 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.794 31.712 10.245 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.623 31.328 11.741 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.377 30.156 8.182 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.139 30.266 7.958 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.196 31.729 8.326 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.567 30.243 11.649 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.732 29.027 11.659 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.110 29.417 10.141 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.127 33.227 11.496 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.896 34.666 11.542 1.00 3.12 C ATOM 1464 C HIS A 95 -1.441 34.972 11.884 1.00 23.15 C ATOM 1465 O HIS A 95 -0.845 34.323 12.745 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.821 35.320 12.568 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.272 35.027 12.338 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.219 35.084 13.339 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.937 34.675 11.213 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.403 34.776 12.840 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.260 34.525 11.551 1.00 25.13 N ATOM 0 H HIS A 95 -2.916 32.738 12.366 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.113 35.075 10.555 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.543 34.979 13.565 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.669 36.399 12.547 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.034 35.326 14.312 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.507 34.538 10.232 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.330 34.736 13.392 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.873 35.963 11.204 1.00 71.41 N ATOM 1480 CA VAL A 96 0.512 36.355 11.436 1.00 30.12 C ATOM 1481 C VAL A 96 0.594 37.752 12.041 1.00 32.13 C ATOM 1482 O VAL A 96 -0.119 38.665 11.622 1.00 62.43 O ATOM 1483 CB VAL A 96 1.331 36.324 10.132 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.796 36.617 10.414 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.171 34.980 9.436 1.00 60.41 C ATOM 0 H VAL A 96 -1.351 36.509 10.488 1.00 71.41 H new ATOM 0 HA VAL A 96 0.931 35.633 12.137 1.00 30.12 H new ATOM 0 HB VAL A 96 0.953 37.100 9.466 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.359 36.591 9.481 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.889 37.604 10.866 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.192 35.866 11.098 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.756 34.975 8.516 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.522 34.185 10.094 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.120 34.816 9.198 1.00 60.41 H new ATOM 1495 N LYS A 97 1.468 37.912 13.029 1.00 13.43 N ATOM 1496 CA LYS A 97 1.645 39.198 13.692 1.00 32.32 C ATOM 1497 C LYS A 97 3.122 39.576 13.760 1.00 33.23 C ATOM 1498 O LYS A 97 3.982 38.723 13.983 1.00 53.25 O ATOM 1499 CB LYS A 97 1.054 39.154 15.103 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.406 38.735 15.137 1.00 24.53 C ATOM 1501 CD LYS A 97 -1.326 39.891 14.779 1.00 41.45 C ATOM 1502 CE LYS A 97 -2.697 39.396 14.342 1.00 62.22 C ATOM 1503 NZ LYS A 97 -2.699 38.953 12.920 1.00 53.42 N1+ ATOM 0 H LYS A 97 2.065 37.167 13.388 1.00 13.43 H new ATOM 0 HA LYS A 97 1.120 39.954 13.108 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.637 38.461 15.711 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.152 40.139 15.560 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.566 37.912 14.440 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.656 38.364 16.131 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -1.433 40.552 15.639 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -0.878 40.480 13.978 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -3.005 38.568 14.981 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -3.430 40.192 14.476 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -3.595 38.469 12.708 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -2.598 39.781 12.298 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -1.906 38.300 12.759 1.00 53.42 H new ATOM 1517 N LYS A 98 3.410 40.859 13.569 1.00 54.02 N ATOM 1518 CA LYS A 98 4.782 41.351 13.612 1.00 54.22 C ATOM 1519 C LYS A 98 5.368 41.205 15.012 1.00 33.52 C ATOM 1520 O LYS A 98 4.770 41.644 15.995 1.00 54.13 O ATOM 1521 CB LYS A 98 4.834 42.816 13.175 1.00 72.45 C ATOM 1522 CG LYS A 98 5.118 43.000 11.695 1.00 22.24 C ATOM 1523 CD LYS A 98 6.522 42.543 11.335 1.00 61.03 C ATOM 1524 CE LYS A 98 6.574 41.953 9.934 1.00 12.11 C ATOM 1525 NZ LYS A 98 7.943 42.028 9.352 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.711 41.578 13.383 1.00 54.02 H new ATOM 0 HA LYS A 98 5.378 40.752 12.924 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.883 43.292 13.416 1.00 72.45 H new ATOM 0 HB3 LYS A 98 5.603 43.331 13.751 1.00 72.45 H new ATOM 0 HG2 LYS A 98 4.390 42.436 11.111 1.00 22.24 H new ATOM 0 HG3 LYS A 98 4.997 44.050 11.428 1.00 22.24 H new ATOM 0 HD2 LYS A 98 7.209 43.387 11.401 1.00 61.03 H new ATOM 0 HD3 LYS A 98 6.860 41.800 12.057 1.00 61.03 H new ATOM 0 HE2 LYS A 98 6.249 40.913 9.965 1.00 12.11 H new ATOM 0 HE3 LYS A 98 5.875 42.486 9.289 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 7.937 41.616 8.397 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 8.243 43.022 9.298 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 8.605 41.498 9.954 1.00 62.45 H new