USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=17 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 -100:sc= -2.23! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.108) USER MOD Single : A 34 SER OG : rot 90:sc= -1.54 USER MOD Single : A 36 SER OG : rot 180:sc= 0.106 USER MOD Single : A 38 ASN : amide:sc= -1.01 K(o=-1,f=-5.1!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0729 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= -0.212 (180deg=-0.835) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.044 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 51 ASN : amide:sc= -0.937 K(o=-0.94,f=-1.5) USER MOD Single : A 64 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-0.74) USER MOD Single : A 65 GLN : amide:sc= -0.895 K(o=-0.9,f=-3.7!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= -0.0024 (180deg=-1.3) USER MOD Single : A 73 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.36) USER MOD Single : A 76 HIS : no HD1:sc= -1.72! 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=-0.00667 X(o=-0.0067,f=-0.18) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.858 USER MOD Single : A 91 ASN : amide:sc= -0.922 K(o=-0.92,f=-4.4!) USER MOD Single : A 92 ASN : amide:sc= -2.51 K(o=-2.5,f=-4.9!) USER MOD Single : A 95 HIS : no HE2:sc= -2.51 K(o=-2.5,f=-6.6!) USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= -0.0121 (180deg=-0.164) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.674 38.458 9.187 1.00 33.52 N ATOM 244 CA ARG A 18 7.620 37.507 10.290 1.00 13.22 C ATOM 245 C ARG A 18 7.002 36.187 9.842 1.00 32.13 C ATOM 246 O ARG A 18 5.801 36.090 9.590 1.00 45.04 O ATOM 247 CB ARG A 18 6.818 38.089 11.456 1.00 74.21 C ATOM 248 CG ARG A 18 7.256 37.571 12.816 1.00 51.14 C ATOM 249 CD ARG A 18 6.443 36.357 13.238 1.00 72.54 C ATOM 250 NE ARG A 18 6.482 36.148 14.682 1.00 24.34 N ATOM 251 CZ ARG A 18 7.515 35.606 15.319 1.00 34.35 C ATOM 252 NH1 ARG A 18 8.588 35.222 14.641 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 7.476 35.448 16.635 1.00 44.41 N ATOM 0 HA ARG A 18 8.641 37.316 10.620 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.911 39.175 11.443 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.763 37.858 11.311 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.313 37.309 12.783 1.00 51.14 H new ATOM 0 HG3 ARG A 18 7.146 38.360 13.560 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.409 36.484 12.918 1.00 72.54 H new ATOM 0 HD3 ARG A 18 6.826 35.470 12.733 1.00 72.54 H new ATOM 0 HE ARG A 18 5.672 36.434 15.232 1.00 24.34 H new ATOM 0 HH11 ARG A 18 8.622 35.342 13.629 1.00 13.44 H new ATOM 0 HH12 ARG A 18 9.380 34.806 15.132 1.00 13.44 H new ATOM 0 HH21 ARG A 18 6.652 35.743 17.160 1.00 44.41 H new ATOM 0 HH22 ARG A 18 8.270 35.032 17.122 1.00 44.41 H new ATOM 267 N PRO A 19 7.840 35.145 9.737 1.00 42.30 N ATOM 268 CA PRO A 19 7.397 33.811 9.318 1.00 72.54 C ATOM 269 C PRO A 19 6.528 33.132 10.370 1.00 40.44 C ATOM 270 O PRO A 19 6.450 33.584 11.513 1.00 14.01 O ATOM 271 CB PRO A 19 8.709 33.045 9.132 1.00 10.11 C ATOM 272 CG PRO A 19 9.682 33.738 10.021 1.00 63.22 C ATOM 273 CD PRO A 19 9.284 35.188 10.020 1.00 44.21 C ATOM 0 HA PRO A 19 6.779 33.849 8.421 1.00 72.54 H new ATOM 0 HB2 PRO A 19 8.598 31.996 9.408 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.037 33.068 8.093 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.651 33.326 11.030 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.702 33.613 9.656 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.492 35.662 10.979 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.826 35.753 9.261 1.00 44.21 H new ATOM 281 N THR A 20 5.875 32.042 9.977 1.00 65.22 N ATOM 282 CA THR A 20 5.010 31.301 10.886 1.00 1.42 C ATOM 283 C THR A 20 5.300 29.805 10.826 1.00 44.04 C ATOM 284 O THR A 20 5.270 29.201 9.754 1.00 14.52 O ATOM 285 CB THR A 20 3.522 31.537 10.564 1.00 74.14 C ATOM 286 OG1 THR A 20 3.213 32.932 10.665 1.00 14.13 O ATOM 287 CG2 THR A 20 2.631 30.745 11.510 1.00 21.30 C ATOM 0 H THR A 20 5.929 31.653 9.035 1.00 65.22 H new ATOM 0 HA THR A 20 5.220 31.669 11.890 1.00 1.42 H new ATOM 0 HB THR A 20 3.336 31.197 9.545 1.00 74.14 H new ATOM 0 HG1 THR A 20 2.781 33.110 11.526 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.585 30.928 11.263 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.847 29.681 11.409 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.821 31.058 12.537 1.00 21.30 H new ATOM 295 N VAL A 21 5.583 29.215 11.982 1.00 72.24 N ATOM 296 CA VAL A 21 5.878 27.788 12.060 1.00 21.13 C ATOM 297 C VAL A 21 4.695 27.013 12.625 1.00 13.22 C ATOM 298 O VAL A 21 4.227 27.292 13.729 1.00 54.24 O ATOM 299 CB VAL A 21 7.118 27.519 12.932 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.942 28.127 14.314 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.387 26.025 13.027 1.00 62.22 C ATOM 0 H VAL A 21 5.615 29.702 12.878 1.00 72.24 H new ATOM 0 HA VAL A 21 6.078 27.450 11.043 1.00 21.13 H new ATOM 0 HB VAL A 21 7.981 27.991 12.462 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.829 27.926 14.915 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.802 29.204 14.222 1.00 41.02 H new ATOM 0 HG13 VAL A 21 6.069 27.687 14.797 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.267 25.852 13.647 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.526 25.528 13.473 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.562 25.623 12.029 1.00 62.22 H new ATOM 311 N ILE A 22 4.214 26.037 11.862 1.00 3.43 N ATOM 312 CA ILE A 22 3.085 25.219 12.288 1.00 12.44 C ATOM 313 C ILE A 22 3.522 23.786 12.572 1.00 32.43 C ATOM 314 O ILE A 22 4.324 23.212 11.835 1.00 24.12 O ATOM 315 CB ILE A 22 1.969 25.204 11.228 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.667 26.627 10.754 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.715 24.549 11.788 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.583 26.696 9.701 1.00 60.50 C ATOM 0 H ILE A 22 4.589 25.793 10.945 1.00 3.43 H new ATOM 0 HA ILE A 22 2.698 25.666 13.203 1.00 12.44 H new ATOM 0 HB ILE A 22 2.309 24.620 10.372 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.369 27.231 11.611 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.579 27.069 10.354 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.065 24.546 11.027 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.940 23.524 12.081 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.370 25.108 12.658 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.422 27.735 9.412 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.887 26.119 8.827 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.342 26.284 10.104 1.00 60.50 H new ATOM 330 N ARG A 23 2.986 23.211 13.644 1.00 11.32 N ATOM 331 CA ARG A 23 3.319 21.844 14.025 1.00 71.41 C ATOM 332 C ARG A 23 2.106 20.929 13.885 1.00 72.25 C ATOM 333 O ARG A 23 1.008 21.265 14.333 1.00 15.13 O ATOM 334 CB ARG A 23 3.838 21.804 15.464 1.00 10.01 C ATOM 335 CG ARG A 23 3.945 20.400 16.034 1.00 51.15 C ATOM 336 CD ARG A 23 4.579 20.407 17.416 1.00 13.14 C ATOM 337 NE ARG A 23 3.928 21.359 18.313 1.00 73.24 N ATOM 338 CZ ARG A 23 2.762 21.131 18.906 1.00 1.22 C ATOM 339 NH1 ARG A 23 2.121 19.988 18.699 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 2.233 22.046 19.708 1.00 60.42 N ATOM 0 H ARG A 23 2.319 23.671 14.264 1.00 11.32 H new ATOM 0 HA ARG A 23 4.101 21.488 13.354 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.819 22.278 15.501 1.00 10.01 H new ATOM 0 HB3 ARG A 23 3.175 22.394 16.097 1.00 10.01 H new ATOM 0 HG2 ARG A 23 2.953 19.952 16.090 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.538 19.778 15.363 1.00 51.15 H new ATOM 0 HD2 ARG A 23 4.522 19.407 17.846 1.00 13.14 H new ATOM 0 HD3 ARG A 23 5.636 20.657 17.328 1.00 13.14 H new ATOM 0 HE ARG A 23 4.395 22.248 18.494 1.00 73.24 H new ATOM 0 HH11 ARG A 23 2.524 19.282 18.083 1.00 61.23 H new ATOM 0 HH12 ARG A 23 1.225 19.816 19.156 1.00 61.23 H new ATOM 0 HH21 ARG A 23 2.722 22.926 19.870 1.00 60.42 H new ATOM 0 HH22 ARG A 23 1.337 21.869 20.163 1.00 60.42 H new ATOM 354 N TRP A 24 2.310 19.775 13.262 1.00 3.23 N ATOM 355 CA TRP A 24 1.232 18.813 13.063 1.00 15.23 C ATOM 356 C TRP A 24 1.472 17.549 13.882 1.00 63.45 C ATOM 357 O TRP A 24 2.524 16.919 13.775 1.00 54.01 O ATOM 358 CB TRP A 24 1.105 18.458 11.581 1.00 72.25 C ATOM 359 CG TRP A 24 0.197 17.294 11.324 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.560 15.982 11.205 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.224 17.336 11.153 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.550 15.207 10.970 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.657 16.013 10.935 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.172 18.362 11.166 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.997 15.694 10.731 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.501 18.043 10.963 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.904 16.718 10.748 1.00 33.23 C ATOM 0 H TRP A 24 3.212 19.482 12.886 1.00 3.23 H new ATOM 0 HA TRP A 24 0.303 19.272 13.401 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.733 19.327 11.037 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.094 18.233 11.183 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.571 15.609 11.284 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.550 14.195 10.842 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.872 19.386 11.332 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.309 14.674 10.565 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.242 18.828 10.970 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.951 16.501 10.593 1.00 33.23 H new ATOM 378 N SER A 25 0.491 17.184 14.700 1.00 32.42 N ATOM 379 CA SER A 25 0.597 15.997 15.539 1.00 61.31 C ATOM 380 C SER A 25 -0.536 15.019 15.245 1.00 1.43 C ATOM 381 O SER A 25 -1.696 15.284 15.558 1.00 0.20 O ATOM 382 CB SER A 25 0.575 16.390 17.019 1.00 74.14 C ATOM 383 OG SER A 25 -0.003 17.671 17.198 1.00 11.02 O ATOM 0 H SER A 25 -0.387 17.694 14.800 1.00 32.42 H new ATOM 0 HA SER A 25 1.544 15.507 15.313 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.010 15.650 17.587 1.00 74.14 H new ATOM 0 HB3 SER A 25 1.591 16.387 17.414 1.00 74.14 H new ATOM 0 HG SER A 25 -0.007 17.898 18.151 1.00 11.02 H new ATOM 389 N GLU A 26 -0.190 13.887 14.639 1.00 53.04 N ATOM 390 CA GLU A 26 -1.178 12.869 14.301 1.00 60.10 C ATOM 391 C GLU A 26 -0.543 11.483 14.274 1.00 74.23 C ATOM 392 O GLU A 26 -1.109 10.519 14.790 1.00 22.33 O ATOM 393 CB GLU A 26 -1.815 13.177 12.944 1.00 62.15 C ATOM 394 CG GLU A 26 -3.109 12.421 12.694 1.00 12.22 C ATOM 395 CD GLU A 26 -3.250 11.964 11.255 1.00 34.13 C ATOM 396 OE1 GLU A 26 -2.254 11.460 10.693 1.00 61.43 O ATOM 397 OE2 GLU A 26 -4.354 12.109 10.690 1.00 23.12 O1- ATOM 0 H GLU A 26 0.766 13.652 14.372 1.00 53.04 H new ATOM 0 HA GLU A 26 -1.952 12.880 15.069 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.011 14.247 12.878 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.104 12.934 12.155 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.151 11.553 13.352 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.954 13.059 12.953 1.00 12.22 H new ATOM 404 N GLY A 27 0.637 11.390 13.668 1.00 15.14 N ATOM 405 CA GLY A 27 1.330 10.117 13.585 1.00 4.13 C ATOM 406 C GLY A 27 1.321 9.543 12.182 1.00 73.25 C ATOM 407 O GLY A 27 1.129 8.342 11.996 1.00 40.05 O ATOM 0 H GLY A 27 1.125 12.173 13.233 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.361 10.246 13.915 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.863 9.407 14.268 1.00 4.13 H new ATOM 411 N GLY A 28 1.527 10.404 11.191 1.00 1.41 N ATOM 412 CA GLY A 28 1.537 9.958 9.810 1.00 61.23 C ATOM 413 C GLY A 28 2.938 9.683 9.299 1.00 31.04 C ATOM 414 O GLY A 28 3.906 9.734 10.059 1.00 11.20 O ATOM 0 H GLY A 28 1.687 11.403 11.320 1.00 1.41 H new ATOM 0 HA2 GLY A 28 0.936 9.053 9.719 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.067 10.716 9.183 1.00 61.23 H new ATOM 418 N LYS A 29 3.047 9.387 8.008 1.00 2.02 N ATOM 419 CA LYS A 29 4.339 9.103 7.395 1.00 70.24 C ATOM 420 C LYS A 29 4.851 10.311 6.618 1.00 44.33 C ATOM 421 O LYS A 29 6.051 10.579 6.591 1.00 44.34 O ATOM 422 CB LYS A 29 4.229 7.893 6.464 1.00 33.13 C ATOM 423 CG LYS A 29 3.355 6.780 7.014 1.00 54.20 C ATOM 424 CD LYS A 29 3.693 6.469 8.463 1.00 2.42 C ATOM 425 CE LYS A 29 3.195 5.091 8.869 1.00 32.15 C ATOM 426 NZ LYS A 29 1.737 4.929 8.608 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.256 9.338 7.366 1.00 2.02 H new ATOM 0 HA LYS A 29 5.049 8.879 8.191 1.00 70.24 H new ATOM 0 HB2 LYS A 29 3.827 8.219 5.505 1.00 33.13 H new ATOM 0 HB3 LYS A 29 5.228 7.499 6.274 1.00 33.13 H new ATOM 0 HG2 LYS A 29 2.307 7.068 6.938 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.484 5.883 6.409 1.00 54.20 H new ATOM 0 HD2 LYS A 29 4.772 6.523 8.605 1.00 2.42 H new ATOM 0 HD3 LYS A 29 3.248 7.223 9.111 1.00 2.42 H new ATOM 0 HE2 LYS A 29 3.749 4.329 8.321 1.00 32.15 H new ATOM 0 HE3 LYS A 29 3.394 4.930 9.928 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 1.408 4.032 9.020 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.217 5.720 9.040 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 1.567 4.922 7.582 1.00 31.05 H new ATOM 440 N GLU A 30 3.932 11.036 5.988 1.00 70.41 N ATOM 441 CA GLU A 30 4.293 12.216 5.211 1.00 31.12 C ATOM 442 C GLU A 30 3.206 13.283 5.305 1.00 62.13 C ATOM 443 O GLU A 30 2.073 13.071 4.872 1.00 50.04 O ATOM 444 CB GLU A 30 4.525 11.839 3.747 1.00 52.54 C ATOM 445 CG GLU A 30 5.263 10.523 3.567 1.00 64.11 C ATOM 446 CD GLU A 30 5.426 10.138 2.110 1.00 64.32 C ATOM 447 OE1 GLU A 30 4.473 10.351 1.331 1.00 41.54 O ATOM 448 OE2 GLU A 30 6.505 9.625 1.747 1.00 24.13 O1- ATOM 0 H GLU A 30 2.934 10.827 6.000 1.00 70.41 H new ATOM 0 HA GLU A 30 5.216 12.623 5.625 1.00 31.12 H new ATOM 0 HB2 GLU A 30 3.562 11.778 3.239 1.00 52.54 H new ATOM 0 HB3 GLU A 30 5.092 12.633 3.262 1.00 52.54 H new ATOM 0 HG2 GLU A 30 6.246 10.596 4.031 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.722 9.734 4.089 1.00 64.11 H new ATOM 455 N VAL A 31 3.559 14.431 5.876 1.00 74.14 N ATOM 456 CA VAL A 31 2.615 15.532 6.028 1.00 50.44 C ATOM 457 C VAL A 31 3.032 16.733 5.187 1.00 42.45 C ATOM 458 O VAL A 31 4.221 16.972 4.975 1.00 5.15 O ATOM 459 CB VAL A 31 2.492 15.966 7.500 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.379 16.990 7.663 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.252 14.758 8.393 1.00 3.42 C ATOM 0 H VAL A 31 4.492 14.622 6.241 1.00 74.14 H new ATOM 0 HA VAL A 31 1.647 15.170 5.682 1.00 50.44 H new ATOM 0 HB VAL A 31 3.429 16.432 7.803 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.307 17.285 8.710 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.599 17.866 7.053 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.433 16.553 7.343 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.168 15.083 9.430 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.330 14.261 8.092 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.087 14.063 8.297 1.00 3.42 H new ATOM 471 N PHE A 32 2.046 17.488 4.713 1.00 3.30 N ATOM 472 CA PHE A 32 2.310 18.665 3.895 1.00 33.30 C ATOM 473 C PHE A 32 1.357 19.801 4.253 1.00 0.43 C ATOM 474 O PHE A 32 0.430 19.621 5.044 1.00 64.31 O ATOM 475 CB PHE A 32 2.178 18.321 2.410 1.00 54.22 C ATOM 476 CG PHE A 32 2.950 17.098 2.007 1.00 44.23 C ATOM 477 CD1 PHE A 32 2.411 15.833 2.180 1.00 31.12 C ATOM 478 CD2 PHE A 32 4.215 17.211 1.454 1.00 61.04 C ATOM 479 CE1 PHE A 32 3.119 14.706 1.811 1.00 15.41 C ATOM 480 CE2 PHE A 32 4.929 16.087 1.082 1.00 62.11 C ATOM 481 CZ PHE A 32 4.379 14.833 1.260 1.00 40.11 C ATOM 0 H PHE A 32 1.057 17.305 4.882 1.00 3.30 H new ATOM 0 HA PHE A 32 3.330 18.994 4.095 1.00 33.30 H new ATOM 0 HB2 PHE A 32 1.125 18.171 2.172 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.521 19.169 1.817 1.00 54.22 H new ATOM 0 HD1 PHE A 32 1.425 15.727 2.609 1.00 31.12 H new ATOM 0 HD2 PHE A 32 4.649 18.190 1.312 1.00 61.04 H new ATOM 0 HE1 PHE A 32 2.688 13.726 1.953 1.00 15.41 H new ATOM 0 HE2 PHE A 32 5.915 16.190 0.653 1.00 62.11 H new ATOM 0 HZ PHE A 32 4.933 13.953 0.969 1.00 40.11 H new ATOM 491 N ILE A 33 1.590 20.969 3.665 1.00 13.34 N ATOM 492 CA ILE A 33 0.752 22.134 3.920 1.00 72.44 C ATOM 493 C ILE A 33 0.582 22.977 2.661 1.00 11.41 C ATOM 494 O ILE A 33 1.488 23.061 1.831 1.00 13.30 O ATOM 495 CB ILE A 33 1.339 23.015 5.039 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.389 24.171 5.359 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.707 23.543 4.634 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.719 24.885 6.651 1.00 0.14 C ATOM 0 H ILE A 33 2.353 21.134 3.008 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.221 21.759 4.236 1.00 72.44 H new ATOM 0 HB ILE A 33 1.457 22.407 5.936 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.415 24.889 4.540 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.630 23.788 5.415 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.109 24.164 5.435 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.381 22.706 4.451 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.613 24.138 3.726 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.005 25.692 6.813 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.665 24.180 7.480 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.726 25.298 6.591 1.00 0.14 H new ATOM 510 N SER A 34 -0.583 23.601 2.526 1.00 74.21 N ATOM 511 CA SER A 34 -0.873 24.436 1.366 1.00 21.11 C ATOM 512 C SER A 34 -2.005 25.413 1.669 1.00 75.54 C ATOM 513 O SER A 34 -2.950 25.083 2.383 1.00 75.43 O ATOM 514 CB SER A 34 -1.243 23.565 0.163 1.00 25.35 C ATOM 515 OG SER A 34 -0.210 22.643 -0.136 1.00 52.43 O ATOM 0 H SER A 34 -1.342 23.544 3.205 1.00 74.21 H new ATOM 0 HA SER A 34 0.024 25.009 1.128 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.167 23.026 0.371 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.432 24.198 -0.704 1.00 25.35 H new ATOM 0 HG SER A 34 -0.358 21.813 0.363 1.00 52.43 H new ATOM 521 N GLY A 35 -1.900 26.619 1.120 1.00 54.31 N ATOM 522 CA GLY A 35 -2.921 27.627 1.343 1.00 42.32 C ATOM 523 C GLY A 35 -2.769 28.819 0.420 1.00 45.21 C ATOM 524 O GLY A 35 -2.104 28.734 -0.612 1.00 21.03 O ATOM 0 H GLY A 35 -1.127 26.916 0.525 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.905 27.182 1.197 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.874 27.965 2.378 1.00 42.32 H new ATOM 528 N SER A 36 -3.390 29.934 0.789 1.00 75.24 N ATOM 529 CA SER A 36 -3.326 31.148 -0.015 1.00 34.33 C ATOM 530 C SER A 36 -1.931 31.765 0.042 1.00 71.13 C ATOM 531 O SER A 36 -1.599 32.652 -0.746 1.00 4.31 O ATOM 532 CB SER A 36 -4.364 32.163 0.468 1.00 65.34 C ATOM 533 OG SER A 36 -4.145 32.509 1.826 1.00 13.12 O ATOM 0 H SER A 36 -3.944 30.022 1.641 1.00 75.24 H new ATOM 0 HA SER A 36 -3.545 30.880 -1.049 1.00 34.33 H new ATOM 0 HB2 SER A 36 -4.317 33.059 -0.151 1.00 65.34 H new ATOM 0 HB3 SER A 36 -5.365 31.748 0.352 1.00 65.34 H new ATOM 0 HG SER A 36 -4.820 33.160 2.111 1.00 13.12 H new ATOM 539 N PHE A 37 -1.118 31.289 0.978 1.00 23.10 N ATOM 540 CA PHE A 37 0.240 31.792 1.140 1.00 11.12 C ATOM 541 C PHE A 37 1.134 31.323 -0.004 1.00 50.51 C ATOM 542 O PHE A 37 2.193 31.896 -0.254 1.00 73.12 O ATOM 543 CB PHE A 37 0.822 31.332 2.478 1.00 22.03 C ATOM 544 CG PHE A 37 0.882 29.838 2.624 1.00 62.52 C ATOM 545 CD1 PHE A 37 1.965 29.124 2.137 1.00 4.33 C ATOM 546 CD2 PHE A 37 -0.144 29.148 3.248 1.00 1.14 C ATOM 547 CE1 PHE A 37 2.022 27.750 2.269 1.00 63.12 C ATOM 548 CE2 PHE A 37 -0.093 27.774 3.384 1.00 24.12 C ATOM 549 CZ PHE A 37 0.993 27.074 2.894 1.00 45.15 C ATOM 0 H PHE A 37 -1.377 30.554 1.637 1.00 23.10 H new ATOM 0 HA PHE A 37 0.201 32.881 1.124 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.827 31.740 2.588 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.220 31.744 3.288 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.774 29.647 1.649 1.00 4.33 H new ATOM 0 HD2 PHE A 37 -0.995 29.691 3.633 1.00 1.14 H new ATOM 0 HE1 PHE A 37 2.871 27.205 1.884 1.00 63.12 H new ATOM 0 HE2 PHE A 37 -0.900 27.248 3.872 1.00 24.12 H new ATOM 0 HZ PHE A 37 1.037 26.000 3.000 1.00 45.15 H new ATOM 559 N ASN A 38 0.698 30.274 -0.695 1.00 22.03 N ATOM 560 CA ASN A 38 1.459 29.726 -1.812 1.00 73.21 C ATOM 561 C ASN A 38 0.573 29.556 -3.042 1.00 65.12 C ATOM 562 O ASN A 38 0.890 28.786 -3.947 1.00 33.34 O ATOM 563 CB ASN A 38 2.075 28.379 -1.424 1.00 74.54 C ATOM 564 CG ASN A 38 1.028 27.301 -1.225 1.00 31.23 C ATOM 565 OD1 ASN A 38 0.509 27.121 -0.122 1.00 32.13 O ATOM 566 ND2 ASN A 38 0.713 26.577 -2.291 1.00 70.32 N ATOM 0 H ASN A 38 -0.177 29.787 -0.501 1.00 22.03 H new ATOM 0 HA ASN A 38 2.257 30.427 -2.055 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.773 28.065 -2.200 1.00 74.54 H new ATOM 0 HB3 ASN A 38 2.651 28.497 -0.506 1.00 74.54 H new ATOM 0 HD21 ASN A 38 0.016 25.836 -2.217 1.00 70.32 H new ATOM 0 HD22 ASN A 38 1.168 26.761 -3.185 1.00 70.32 H new ATOM 573 N ASN A 39 -0.539 30.283 -3.068 1.00 74.22 N ATOM 574 CA ASN A 39 -1.471 30.215 -4.187 1.00 43.44 C ATOM 575 C ASN A 39 -2.020 28.800 -4.353 1.00 54.22 C ATOM 576 O ASN A 39 -2.504 28.433 -5.424 1.00 61.41 O ATOM 577 CB ASN A 39 -0.783 30.661 -5.480 1.00 4.25 C ATOM 578 CG ASN A 39 -1.752 31.288 -6.464 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.271 32.381 -6.232 1.00 13.05 O ATOM 580 ND2 ASN A 39 -2.002 30.597 -7.569 1.00 32.44 N ATOM 0 H ASN A 39 -0.817 30.926 -2.327 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.303 30.887 -3.975 1.00 43.44 H new ATOM 0 HB2 ASN A 39 0.003 31.378 -5.242 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.301 29.802 -5.947 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -2.647 30.967 -8.267 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -1.550 29.695 -7.720 1.00 32.44 H new ATOM 587 N TRP A 40 -1.941 28.014 -3.286 1.00 11.01 N ATOM 588 CA TRP A 40 -2.429 26.640 -3.313 1.00 32.51 C ATOM 589 C TRP A 40 -1.849 25.878 -4.499 1.00 23.40 C ATOM 590 O TRP A 40 -2.479 24.963 -5.029 1.00 14.41 O ATOM 591 CB TRP A 40 -3.958 26.622 -3.377 1.00 1.54 C ATOM 592 CG TRP A 40 -4.606 27.475 -2.330 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.756 28.833 -2.356 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.192 27.029 -1.102 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.399 29.256 -1.218 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.678 28.169 -0.433 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.355 25.777 -0.504 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.313 28.092 0.804 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.986 25.702 0.724 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.459 26.854 1.366 1.00 71.30 C ATOM 0 H TRP A 40 -1.544 28.304 -2.392 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.104 26.148 -2.396 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.277 26.963 -4.362 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.307 25.595 -3.266 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.419 29.479 -3.154 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.631 30.224 -0.994 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.995 24.884 -0.992 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.677 28.979 1.302 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -6.116 24.739 1.196 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.949 26.762 2.324 1.00 71.30 H new ATOM 611 N SER A 41 -0.645 26.261 -4.911 1.00 74.51 N ATOM 612 CA SER A 41 0.018 25.616 -6.037 1.00 24.05 C ATOM 613 C SER A 41 0.849 24.425 -5.569 1.00 42.45 C ATOM 614 O SER A 41 0.492 23.271 -5.806 1.00 72.12 O ATOM 615 CB SER A 41 0.911 26.618 -6.773 1.00 64.43 C ATOM 616 OG SER A 41 1.912 25.953 -7.525 1.00 75.12 O ATOM 0 H SER A 41 -0.109 27.015 -4.481 1.00 74.51 H new ATOM 0 HA SER A 41 -0.750 25.255 -6.720 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.303 27.234 -7.436 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.379 27.290 -6.053 1.00 64.43 H new ATOM 0 HG SER A 41 2.468 26.615 -7.987 1.00 75.12 H new ATOM 622 N THR A 42 1.963 24.714 -4.902 1.00 73.54 N ATOM 623 CA THR A 42 2.846 23.669 -4.401 1.00 45.04 C ATOM 624 C THR A 42 2.603 23.407 -2.919 1.00 34.20 C ATOM 625 O THR A 42 2.281 24.322 -2.161 1.00 34.44 O ATOM 626 CB THR A 42 4.327 24.038 -4.609 1.00 1.10 C ATOM 627 OG1 THR A 42 4.679 25.144 -3.771 1.00 15.30 O ATOM 628 CG2 THR A 42 4.597 24.392 -6.064 1.00 52.41 C ATOM 0 H THR A 42 2.274 25.663 -4.697 1.00 73.54 H new ATOM 0 HA THR A 42 2.621 22.766 -4.968 1.00 45.04 H new ATOM 0 HB THR A 42 4.935 23.173 -4.343 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.622 25.371 -3.908 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.649 24.649 -6.187 1.00 52.41 H new ATOM 0 HG22 THR A 42 4.356 23.538 -6.697 1.00 52.41 H new ATOM 0 HG23 THR A 42 3.980 25.243 -6.352 1.00 52.41 H new ATOM 636 N LYS A 43 2.760 22.152 -2.511 1.00 53.21 N ATOM 637 CA LYS A 43 2.560 21.769 -1.118 1.00 62.12 C ATOM 638 C LYS A 43 3.897 21.553 -0.416 1.00 0.51 C ATOM 639 O LYS A 43 4.574 20.552 -0.648 1.00 42.43 O ATOM 640 CB LYS A 43 1.715 20.497 -1.035 1.00 42.01 C ATOM 641 CG LYS A 43 2.184 19.393 -1.967 1.00 13.53 C ATOM 642 CD LYS A 43 2.112 18.030 -1.298 1.00 24.00 C ATOM 643 CE LYS A 43 0.811 17.316 -1.627 1.00 21.13 C ATOM 644 NZ LYS A 43 0.670 17.062 -3.088 1.00 63.23 N1+ ATOM 0 H LYS A 43 3.025 21.382 -3.126 1.00 53.21 H new ATOM 0 HA LYS A 43 2.034 22.580 -0.615 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.731 20.127 -0.010 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.679 20.743 -1.269 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.570 19.390 -2.867 1.00 13.53 H new ATOM 0 HG3 LYS A 43 3.209 19.592 -2.281 1.00 13.53 H new ATOM 0 HD2 LYS A 43 2.955 17.420 -1.622 1.00 24.00 H new ATOM 0 HD3 LYS A 43 2.200 18.148 -0.218 1.00 24.00 H new ATOM 0 HE2 LYS A 43 0.770 16.369 -1.088 1.00 21.13 H new ATOM 0 HE3 LYS A 43 -0.030 17.916 -1.280 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 0.096 16.208 -3.238 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 0.205 17.876 -3.538 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.611 16.925 -3.509 1.00 63.23 H new ATOM 658 N ILE A 44 4.267 22.496 0.443 1.00 50.11 N ATOM 659 CA ILE A 44 5.522 22.406 1.181 1.00 75.21 C ATOM 660 C ILE A 44 5.506 21.228 2.149 1.00 20.24 C ATOM 661 O ILE A 44 4.561 21.033 2.914 1.00 14.21 O ATOM 662 CB ILE A 44 5.806 23.699 1.967 1.00 5.22 C ATOM 663 CG1 ILE A 44 6.328 24.789 1.028 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.805 23.431 3.083 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.231 25.618 0.397 1.00 74.32 C ATOM 0 H ILE A 44 3.717 23.331 0.646 1.00 50.11 H new ATOM 0 HA ILE A 44 6.312 22.258 0.445 1.00 75.21 H new ATOM 0 HB ILE A 44 4.875 24.047 2.414 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.996 25.447 1.584 1.00 22.10 H new ATOM 0 HG13 ILE A 44 6.921 24.325 0.240 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.996 24.354 3.630 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.398 22.683 3.764 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.738 23.063 2.656 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.673 26.371 -0.256 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.576 24.971 -0.187 1.00 74.32 H new ATOM 0 HD13 ILE A 44 4.652 26.111 1.178 1.00 74.32 H new ATOM 677 N PRO A 45 6.579 20.423 2.118 1.00 42.30 N ATOM 678 CA PRO A 45 6.714 19.251 2.989 1.00 74.53 C ATOM 679 C PRO A 45 6.923 19.635 4.449 1.00 40.33 C ATOM 680 O PRO A 45 7.761 20.480 4.766 1.00 40.12 O ATOM 681 CB PRO A 45 7.956 18.543 2.439 1.00 11.42 C ATOM 682 CG PRO A 45 8.747 19.621 1.782 1.00 55.22 C ATOM 683 CD PRO A 45 7.742 20.596 1.231 1.00 3.34 C ATOM 0 HA PRO A 45 5.816 18.633 2.984 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.525 18.065 3.236 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.685 17.762 1.729 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.412 20.107 2.496 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.374 19.216 0.988 1.00 55.22 H new ATOM 0 HD2 PRO A 45 8.118 21.619 1.256 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.493 20.373 0.193 1.00 3.34 H new ATOM 691 N LEU A 46 6.155 19.010 5.335 1.00 54.51 N ATOM 692 CA LEU A 46 6.256 19.287 6.764 1.00 11.22 C ATOM 693 C LEU A 46 7.439 18.547 7.379 1.00 63.13 C ATOM 694 O LEU A 46 7.392 17.332 7.572 1.00 34.03 O ATOM 695 CB LEU A 46 4.962 18.883 7.474 1.00 1.32 C ATOM 696 CG LEU A 46 4.194 20.012 8.164 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.495 20.887 7.135 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.190 19.444 9.156 1.00 1.43 C ATOM 0 H LEU A 46 5.456 18.309 5.089 1.00 54.51 H new ATOM 0 HA LEU A 46 6.415 20.358 6.892 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.302 18.415 6.744 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.202 18.125 8.220 1.00 1.32 H new ATOM 0 HG LEU A 46 4.906 20.630 8.712 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.954 21.685 7.643 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.236 21.322 6.464 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.794 20.283 6.559 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.653 20.261 9.638 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.482 18.804 8.630 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.716 18.860 9.912 1.00 1.43 H new ATOM 710 N ILE A 47 8.498 19.289 7.688 1.00 41.44 N ATOM 711 CA ILE A 47 9.693 18.703 8.285 1.00 1.41 C ATOM 712 C ILE A 47 9.340 17.861 9.507 1.00 65.02 C ATOM 713 O ILE A 47 8.895 18.384 10.528 1.00 61.11 O ATOM 714 CB ILE A 47 10.705 19.788 8.697 1.00 11.35 C ATOM 715 CG1 ILE A 47 11.038 20.685 7.504 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.968 19.149 9.255 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.581 19.929 6.312 1.00 52.21 C ATOM 0 H ILE A 47 8.553 20.296 7.535 1.00 41.44 H new ATOM 0 HA ILE A 47 10.146 18.065 7.526 1.00 1.41 H new ATOM 0 HB ILE A 47 10.258 20.404 9.477 1.00 11.35 H new ATOM 0 HG12 ILE A 47 10.140 21.224 7.203 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.769 21.432 7.814 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.674 19.928 9.542 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.716 18.548 10.129 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.420 18.512 8.495 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.795 20.629 5.504 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.497 19.412 6.596 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.843 19.201 5.976 1.00 52.21 H new ATOM 729 N LYS A 48 9.545 16.553 9.395 1.00 55.44 N ATOM 730 CA LYS A 48 9.252 15.637 10.491 1.00 2.01 C ATOM 731 C LYS A 48 10.308 15.746 11.587 1.00 4.04 C ATOM 732 O LYS A 48 11.499 15.562 11.337 1.00 74.51 O ATOM 733 CB LYS A 48 9.184 14.198 9.976 1.00 32.12 C ATOM 734 CG LYS A 48 8.596 13.220 10.978 1.00 21.33 C ATOM 735 CD LYS A 48 8.393 11.846 10.362 1.00 65.24 C ATOM 736 CE LYS A 48 9.713 11.222 9.938 1.00 55.25 C ATOM 737 NZ LYS A 48 9.995 9.961 10.677 1.00 34.55 N1+ ATOM 0 H LYS A 48 9.913 16.104 8.556 1.00 55.44 H new ATOM 0 HA LYS A 48 8.285 15.912 10.913 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.586 14.175 9.065 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.188 13.870 9.707 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.258 13.139 11.840 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.642 13.601 11.343 1.00 21.33 H new ATOM 0 HD2 LYS A 48 7.896 11.194 11.081 1.00 65.24 H new ATOM 0 HD3 LYS A 48 7.734 11.928 9.497 1.00 65.24 H new ATOM 0 HE2 LYS A 48 9.691 11.018 8.868 1.00 55.25 H new ATOM 0 HE3 LYS A 48 10.522 11.932 10.110 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 10.904 9.568 10.358 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 10.042 10.159 11.697 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.237 9.274 10.493 1.00 34.55 H new ATOM 751 N SER A 49 9.861 16.044 12.804 1.00 14.13 N ATOM 752 CA SER A 49 10.768 16.179 13.938 1.00 33.35 C ATOM 753 C SER A 49 10.800 14.896 14.764 1.00 3.20 C ATOM 754 O SER A 49 10.170 13.900 14.409 1.00 64.42 O ATOM 755 CB SER A 49 10.344 17.355 14.819 1.00 31.23 C ATOM 756 OG SER A 49 11.441 17.856 15.564 1.00 51.25 O ATOM 0 H SER A 49 8.878 16.196 13.029 1.00 14.13 H new ATOM 0 HA SER A 49 11.769 16.366 13.551 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.930 18.149 14.197 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.553 17.038 15.499 1.00 31.23 H new ATOM 0 HG SER A 49 11.144 18.608 16.118 1.00 51.25 H new ATOM 762 N HIS A 50 11.541 14.929 15.868 1.00 0.54 N ATOM 763 CA HIS A 50 11.655 13.770 16.745 1.00 22.21 C ATOM 764 C HIS A 50 10.361 13.544 17.520 1.00 65.22 C ATOM 765 O HIS A 50 10.093 12.440 17.992 1.00 14.41 O ATOM 766 CB HIS A 50 12.820 13.953 17.718 1.00 63.12 C ATOM 767 CG HIS A 50 14.140 13.516 17.162 1.00 21.12 C ATOM 768 ND1 HIS A 50 15.137 12.963 17.938 1.00 33.13 N ATOM 769 CD2 HIS A 50 14.624 13.553 15.899 1.00 30.03 C ATOM 770 CE1 HIS A 50 16.178 12.678 17.175 1.00 63.42 C ATOM 771 NE2 HIS A 50 15.892 13.027 15.934 1.00 44.14 N ATOM 0 H HIS A 50 12.070 15.745 16.175 1.00 0.54 H new ATOM 0 HA HIS A 50 11.843 12.894 16.124 1.00 22.21 H new ATOM 0 HB2 HIS A 50 12.884 15.004 18.001 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.614 13.390 18.628 1.00 63.12 H new ATOM 0 HD2 HIS A 50 14.109 13.927 15.026 1.00 30.03 H new ATOM 0 HE1 HIS A 50 17.105 12.235 17.510 1.00 63.42 H new ATOM 0 HE2 HIS A 50 16.513 12.923 15.131 1.00 44.14 H new ATOM 779 N ASN A 51 9.562 14.598 17.648 1.00 43.20 N ATOM 780 CA ASN A 51 8.295 14.515 18.366 1.00 41.32 C ATOM 781 C ASN A 51 7.119 14.475 17.394 1.00 42.34 C ATOM 782 O ASN A 51 6.290 13.567 17.445 1.00 61.52 O ATOM 783 CB ASN A 51 8.145 15.705 19.316 1.00 24.42 C ATOM 784 CG ASN A 51 8.571 17.013 18.677 1.00 75.52 C ATOM 785 OD1 ASN A 51 7.751 17.737 18.112 1.00 63.21 O ATOM 786 ND2 ASN A 51 9.860 17.321 18.764 1.00 63.41 N ATOM 0 H ASN A 51 9.769 15.520 17.264 1.00 43.20 H new ATOM 0 HA ASN A 51 8.295 13.592 18.946 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.106 15.782 19.636 1.00 24.42 H new ATOM 0 HB3 ASN A 51 8.742 15.530 20.211 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.206 18.188 18.353 1.00 63.41 H new ATOM 0 HD22 ASN A 51 10.504 16.691 19.242 1.00 63.41 H new ATOM 793 N ASP A 52 7.057 15.464 16.510 1.00 25.42 N ATOM 794 CA ASP A 52 5.984 15.542 15.525 1.00 63.14 C ATOM 795 C ASP A 52 6.434 16.318 14.291 1.00 70.31 C ATOM 796 O ASP A 52 7.591 16.728 14.191 1.00 74.35 O ATOM 797 CB ASP A 52 4.748 16.203 16.135 1.00 51.42 C ATOM 798 CG ASP A 52 4.288 15.512 17.404 1.00 61.33 C ATOM 799 OD1 ASP A 52 3.632 14.454 17.298 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.583 16.027 18.502 1.00 34.01 O ATOM 0 H ASP A 52 7.736 16.223 16.455 1.00 25.42 H new ATOM 0 HA ASP A 52 5.730 14.526 15.221 1.00 63.14 H new ATOM 0 HB2 ASP A 52 4.969 17.248 16.353 1.00 51.42 H new ATOM 0 HB3 ASP A 52 3.938 16.194 15.406 1.00 51.42 H new ATOM 805 N PHE A 53 5.513 16.514 13.353 1.00 51.12 N ATOM 806 CA PHE A 53 5.816 17.239 12.125 1.00 12.33 C ATOM 807 C PHE A 53 5.788 18.746 12.361 1.00 22.10 C ATOM 808 O PHE A 53 5.029 19.241 13.195 1.00 32.20 O ATOM 809 CB PHE A 53 4.817 16.865 11.027 1.00 64.40 C ATOM 810 CG PHE A 53 4.949 15.446 10.554 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.847 15.117 9.552 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.175 14.442 11.112 1.00 54.43 C ATOM 813 CE1 PHE A 53 5.971 13.811 9.114 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.295 13.135 10.679 1.00 14.33 C ATOM 815 CZ PHE A 53 5.193 12.820 9.679 1.00 53.35 C ATOM 0 H PHE A 53 4.551 16.181 13.420 1.00 51.12 H new ATOM 0 HA PHE A 53 6.819 16.958 11.806 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.805 17.023 11.399 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.953 17.536 10.179 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.457 15.889 9.108 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.470 14.683 11.894 1.00 54.43 H new ATOM 0 HE1 PHE A 53 6.675 13.567 8.332 1.00 21.11 H new ATOM 0 HE2 PHE A 53 3.687 12.361 11.123 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.287 11.799 9.339 1.00 53.35 H new ATOM 825 N VAL A 54 6.624 19.471 11.623 1.00 33.42 N ATOM 826 CA VAL A 54 6.695 20.921 11.752 1.00 40.41 C ATOM 827 C VAL A 54 7.125 21.568 10.440 1.00 3.45 C ATOM 828 O VAL A 54 7.988 21.050 9.733 1.00 74.24 O ATOM 829 CB VAL A 54 7.677 21.339 12.862 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.104 21.011 14.233 1.00 24.21 C ATOM 831 CG2 VAL A 54 9.025 20.661 12.663 1.00 4.44 C ATOM 0 H VAL A 54 7.261 19.077 10.930 1.00 33.42 H new ATOM 0 HA VAL A 54 5.694 21.265 12.014 1.00 40.41 H new ATOM 0 HB VAL A 54 7.826 22.417 12.805 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.812 21.313 15.005 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.165 21.546 14.372 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.925 19.938 14.305 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.707 20.967 13.456 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.896 19.579 12.693 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.439 20.950 11.697 1.00 4.44 H new ATOM 841 N ALA A 55 6.515 22.706 10.120 1.00 33.42 N ATOM 842 CA ALA A 55 6.835 23.426 8.895 1.00 64.34 C ATOM 843 C ALA A 55 6.914 24.928 9.144 1.00 43.12 C ATOM 844 O ALA A 55 6.044 25.504 9.799 1.00 20.33 O ATOM 845 CB ALA A 55 5.804 23.122 7.818 1.00 75.11 C ATOM 0 H ALA A 55 5.796 23.148 10.693 1.00 33.42 H new ATOM 0 HA ALA A 55 7.813 23.089 8.552 1.00 64.34 H new ATOM 0 HB1 ALA A 55 6.056 23.667 6.908 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.800 22.052 7.610 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.816 23.429 8.163 1.00 75.11 H new ATOM 851 N ILE A 56 7.961 25.557 8.621 1.00 4.32 N ATOM 852 CA ILE A 56 8.151 26.993 8.788 1.00 62.15 C ATOM 853 C ILE A 56 7.814 27.744 7.505 1.00 1.24 C ATOM 854 O ILE A 56 8.551 27.678 6.520 1.00 41.11 O ATOM 855 CB ILE A 56 9.599 27.324 9.198 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.961 26.601 10.498 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.773 28.827 9.355 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.513 25.210 10.282 1.00 22.53 C ATOM 0 H ILE A 56 8.691 25.095 8.078 1.00 4.32 H new ATOM 0 HA ILE A 56 7.475 27.312 9.581 1.00 62.15 H new ATOM 0 HB ILE A 56 10.272 26.980 8.413 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.696 27.194 11.042 1.00 12.24 H new ATOM 0 HG13 ILE A 56 9.074 26.537 11.128 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.801 29.046 9.645 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.550 29.320 8.409 1.00 20.32 H new ATOM 0 HG23 ILE A 56 9.093 29.194 10.124 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.747 24.758 11.246 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.771 24.600 9.766 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.419 25.268 9.678 1.00 22.53 H new ATOM 870 N LEU A 57 6.696 28.461 7.524 1.00 53.34 N ATOM 871 CA LEU A 57 6.260 29.230 6.362 1.00 41.32 C ATOM 872 C LEU A 57 6.738 30.675 6.455 1.00 4.44 C ATOM 873 O LEU A 57 7.101 31.151 7.530 1.00 25.01 O ATOM 874 CB LEU A 57 4.736 29.190 6.242 1.00 22.14 C ATOM 875 CG LEU A 57 4.108 27.802 6.112 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.591 27.903 6.081 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.624 27.099 4.865 1.00 54.43 C ATOM 0 H LEU A 57 6.075 28.526 8.330 1.00 53.34 H new ATOM 0 HA LEU A 57 6.699 28.779 5.472 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.310 29.679 7.118 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.445 29.781 5.374 1.00 22.14 H new ATOM 0 HG LEU A 57 4.394 27.211 6.982 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.162 26.905 5.988 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.238 28.365 7.003 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.284 28.511 5.230 1.00 62.22 H new ATOM 0 HD21 LEU A 57 4.167 26.113 4.788 1.00 54.43 H new ATOM 0 HD22 LEU A 57 4.368 27.687 3.984 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.707 26.993 4.929 1.00 54.43 H new ATOM 889 N ASP A 58 6.732 31.369 5.322 1.00 22.22 N ATOM 890 CA ASP A 58 7.161 32.762 5.275 1.00 23.10 C ATOM 891 C ASP A 58 6.004 33.674 4.882 1.00 53.11 C ATOM 892 O ASP A 58 5.697 33.831 3.700 1.00 71.11 O ATOM 893 CB ASP A 58 8.317 32.929 4.288 1.00 60.34 C ATOM 894 CG ASP A 58 8.152 32.066 3.052 1.00 4.33 C ATOM 895 OD1 ASP A 58 6.997 31.851 2.628 1.00 31.41 O ATOM 896 OD2 ASP A 58 9.178 31.606 2.509 1.00 64.40 O1- ATOM 0 H ASP A 58 6.435 30.989 4.423 1.00 22.22 H new ATOM 0 HA ASP A 58 7.501 33.045 6.271 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.389 33.975 3.990 1.00 60.34 H new ATOM 0 HB3 ASP A 58 9.254 32.674 4.783 1.00 60.34 H new ATOM 901 N LEU A 59 5.363 34.272 5.881 1.00 12.41 N ATOM 902 CA LEU A 59 4.238 35.169 5.640 1.00 61.11 C ATOM 903 C LEU A 59 4.524 36.562 6.191 1.00 53.10 C ATOM 904 O LEU A 59 5.315 36.740 7.117 1.00 43.12 O ATOM 905 CB LEU A 59 2.967 34.607 6.278 1.00 61.24 C ATOM 906 CG LEU A 59 2.848 33.082 6.307 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.553 32.661 6.984 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.924 32.515 4.897 1.00 1.12 C ATOM 0 H LEU A 59 5.603 34.152 6.865 1.00 12.41 H new ATOM 0 HA LEU A 59 4.092 35.248 4.563 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.905 34.976 7.302 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.107 35.008 5.742 1.00 61.24 H new ATOM 0 HG LEU A 59 3.682 32.682 6.884 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.485 31.573 6.995 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.539 33.036 8.007 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.705 33.071 6.435 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.838 31.429 4.936 1.00 1.12 H new ATOM 0 HD22 LEU A 59 2.110 32.922 4.297 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.879 32.787 4.446 1.00 1.12 H new ATOM 920 N PRO A 60 3.865 37.576 5.611 1.00 72.34 N ATOM 921 CA PRO A 60 4.030 38.970 6.030 1.00 43.15 C ATOM 922 C PRO A 60 3.428 39.238 7.405 1.00 50.24 C ATOM 923 O PRO A 60 4.120 39.162 8.420 1.00 44.12 O ATOM 924 CB PRO A 60 3.274 39.756 4.954 1.00 2.43 C ATOM 925 CG PRO A 60 2.266 38.796 4.423 1.00 40.55 C ATOM 926 CD PRO A 60 2.905 37.438 4.501 1.00 50.31 C ATOM 0 HA PRO A 60 5.081 39.246 6.121 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.796 40.641 5.373 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.947 40.099 4.168 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.348 38.830 5.010 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.996 39.042 3.396 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.170 36.659 4.700 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.404 37.174 3.568 1.00 50.31 H new ATOM 934 N GLU A 61 2.136 39.551 7.431 1.00 62.44 N ATOM 935 CA GLU A 61 1.444 39.829 8.683 1.00 50.50 C ATOM 936 C GLU A 61 -0.033 40.123 8.434 1.00 12.05 C ATOM 937 O GLU A 61 -0.379 41.007 7.652 1.00 32.42 O ATOM 938 CB GLU A 61 2.096 41.013 9.401 1.00 73.34 C ATOM 939 CG GLU A 61 1.300 41.516 10.594 1.00 52.41 C ATOM 940 CD GLU A 61 0.265 42.555 10.208 1.00 72.55 C ATOM 941 OE1 GLU A 61 0.539 43.349 9.284 1.00 43.41 O ATOM 942 OE2 GLU A 61 -0.817 42.576 10.831 1.00 35.02 O1- ATOM 0 H GLU A 61 1.549 39.618 6.600 1.00 62.44 H new ATOM 0 HA GLU A 61 1.520 38.944 9.314 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.091 40.720 9.736 1.00 73.34 H new ATOM 0 HB3 GLU A 61 2.226 41.830 8.691 1.00 73.34 H new ATOM 0 HG2 GLU A 61 0.802 40.674 11.075 1.00 52.41 H new ATOM 0 HG3 GLU A 61 1.983 41.944 11.328 1.00 52.41 H new ATOM 949 N GLY A 62 -0.901 39.372 9.106 1.00 54.52 N ATOM 950 CA GLY A 62 -2.331 39.565 8.943 1.00 52.00 C ATOM 951 C GLY A 62 -3.110 38.272 9.086 1.00 61.55 C ATOM 952 O GLY A 62 -3.241 37.738 10.186 1.00 51.12 O ATOM 0 H GLY A 62 -0.640 38.634 9.760 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.685 40.282 9.683 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.527 39.997 7.962 1.00 52.00 H new ATOM 956 N GLU A 63 -3.631 37.771 7.971 1.00 53.44 N ATOM 957 CA GLU A 63 -4.404 36.535 7.977 1.00 52.42 C ATOM 958 C GLU A 63 -4.175 35.743 6.693 1.00 71.45 C ATOM 959 O GLU A 63 -4.211 36.326 5.611 1.00 35.41 O ATOM 960 CB GLU A 63 -5.895 36.841 8.142 1.00 13.45 C ATOM 961 CG GLU A 63 -6.788 35.623 7.969 1.00 1.11 C ATOM 962 CD GLU A 63 -8.263 35.971 8.023 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.655 36.759 8.909 1.00 35.44 O ATOM 964 OE2 GLU A 63 -9.025 35.454 7.179 1.00 62.20 O1- ATOM 0 H GLU A 63 -3.532 38.202 7.052 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.069 35.931 8.820 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.063 37.267 9.131 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.184 37.600 7.415 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.565 35.146 7.014 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.561 34.896 8.749 1.00 1.11 H new ATOM 971 N HIS A 64 -3.947 34.446 6.840 1.00 3.13 N ATOM 972 CA HIS A 64 -3.714 33.592 5.688 1.00 20.42 C ATOM 973 C HIS A 64 -4.359 32.224 5.924 1.00 42.53 C ATOM 974 O HIS A 64 -4.425 31.721 7.045 1.00 73.42 O ATOM 975 CB HIS A 64 -2.219 33.498 5.374 1.00 3.20 C ATOM 976 CG HIS A 64 -1.470 34.794 5.562 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.043 35.575 4.502 1.00 32.22 N ATOM 978 CD2 HIS A 64 -1.075 35.440 6.698 1.00 2.30 C ATOM 979 CE1 HIS A 64 -0.421 36.638 4.988 1.00 4.25 C ATOM 980 NE2 HIS A 64 -0.441 36.552 6.350 1.00 51.03 N ATOM 0 H HIS A 64 -3.919 33.966 7.740 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.183 34.028 4.806 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.771 32.736 6.012 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.095 33.165 4.344 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.249 35.103 7.709 1.00 2.30 H new ATOM 0 HE1 HIS A 64 0.024 37.433 4.409 1.00 4.25 H new ATOM 0 HE2 HIS A 64 -0.035 37.231 6.994 1.00 51.03 H new ATOM 988 N GLN A 65 -4.834 31.632 4.834 1.00 53.30 N ATOM 989 CA GLN A 65 -5.478 30.326 4.894 1.00 30.02 C ATOM 990 C GLN A 65 -4.473 29.210 4.625 1.00 12.33 C ATOM 991 O GLN A 65 -3.420 29.441 4.031 1.00 60.12 O ATOM 992 CB GLN A 65 -6.623 30.250 3.883 1.00 12.55 C ATOM 993 CG GLN A 65 -7.857 31.033 4.302 1.00 10.33 C ATOM 994 CD GLN A 65 -8.948 30.145 4.869 1.00 53.50 C ATOM 995 OE1 GLN A 65 -10.121 30.286 4.523 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.566 29.223 5.745 1.00 52.31 N ATOM 0 H GLN A 65 -4.785 32.036 3.899 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.880 30.195 5.898 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.273 30.626 2.922 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.898 29.206 3.736 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.575 31.776 5.048 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.247 31.577 3.442 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -7.583 29.141 6.003 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.256 28.597 6.160 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.804 28.002 5.067 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.929 26.852 4.877 1.00 44.05 C ATOM 1007 C TYR A 66 -4.675 25.549 5.148 1.00 74.13 C ATOM 1008 O TYR A 66 -5.803 25.557 5.641 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.709 26.955 5.793 1.00 51.25 C ATOM 1010 CG TYR A 66 -3.000 26.584 7.231 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.764 27.414 8.042 1.00 60.42 C ATOM 1012 CD2 TYR A 66 -2.509 25.405 7.777 1.00 33.23 C ATOM 1013 CE1 TYR A 66 -4.030 27.080 9.356 1.00 74.14 C ATOM 1014 CE2 TYR A 66 -2.772 25.062 9.089 1.00 54.24 C ATOM 1015 CZ TYR A 66 -3.532 25.903 9.874 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.797 25.565 11.182 1.00 4.23 O ATOM 0 H TYR A 66 -5.673 27.794 5.560 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.596 26.849 3.839 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.922 26.305 5.411 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.325 27.975 5.760 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.157 28.336 7.639 1.00 60.42 H new ATOM 0 HD2 TYR A 66 -1.911 24.745 7.165 1.00 33.23 H new ATOM 0 HE1 TYR A 66 -4.624 27.737 9.974 1.00 74.14 H new ATOM 0 HE2 TYR A 66 -2.385 24.140 9.498 1.00 54.24 H new ATOM 0 HH TYR A 66 -3.375 24.705 11.390 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.036 24.431 4.824 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.635 23.118 5.034 1.00 53.24 C ATOM 1028 C LYS A 67 -3.561 22.059 5.257 1.00 15.33 C ATOM 1029 O LYS A 67 -2.409 22.234 4.859 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.503 22.733 3.834 1.00 51.31 C ATOM 1031 CG LYS A 67 -6.514 21.640 4.139 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.581 22.123 5.107 1.00 54.14 C ATOM 1033 CE LYS A 67 -7.734 21.173 6.285 1.00 21.22 C ATOM 1034 NZ LYS A 67 -8.378 19.892 5.885 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.102 24.407 4.414 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.260 23.170 5.926 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.033 23.618 3.481 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -4.857 22.402 3.021 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -6.984 21.309 3.213 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -6.001 20.776 4.562 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -7.321 23.117 5.471 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -8.534 22.214 4.585 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -6.754 20.968 6.715 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -8.330 21.652 7.062 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -8.900 19.498 6.694 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -9.037 20.065 5.099 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -7.648 19.216 5.582 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.944 20.958 5.896 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.013 19.869 6.172 1.00 43.24 C ATOM 1050 C PHE A 68 -3.225 18.713 5.199 1.00 51.11 C ATOM 1051 O PHE A 68 -4.354 18.418 4.805 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.183 19.378 7.610 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.540 20.275 8.630 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.168 20.462 8.640 1.00 14.15 C ATOM 1055 CD2 PHE A 68 -3.309 20.933 9.577 1.00 41.10 C ATOM 1056 CE1 PHE A 68 -0.573 21.287 9.577 1.00 73.42 C ATOM 1057 CE2 PHE A 68 -2.721 21.759 10.515 1.00 25.24 C ATOM 1058 CZ PHE A 68 -1.351 21.936 10.516 1.00 11.45 C ATOM 0 H PHE A 68 -4.893 20.796 6.233 1.00 0.43 H new ATOM 0 HA PHE A 68 -1.999 20.248 6.042 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.247 19.292 7.833 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.757 18.378 7.697 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.555 19.958 7.907 1.00 14.15 H new ATOM 0 HD2 PHE A 68 -4.381 20.798 9.582 1.00 41.10 H new ATOM 0 HE1 PHE A 68 0.498 21.424 9.575 1.00 73.42 H new ATOM 0 HE2 PHE A 68 -3.332 22.266 11.247 1.00 25.24 H new ATOM 0 HZ PHE A 68 -0.889 22.580 11.249 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.132 18.063 4.815 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.196 16.939 3.888 1.00 72.31 C ATOM 1070 C PHE A 69 -1.486 15.717 4.463 1.00 34.23 C ATOM 1071 O PHE A 69 -0.257 15.659 4.496 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.571 17.322 2.546 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.169 16.596 1.375 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.539 16.607 1.163 1.00 34.50 C ATOM 1075 CD2 PHE A 69 -1.364 15.900 0.488 1.00 61.42 C ATOM 1076 CE1 PHE A 69 -4.092 15.939 0.088 1.00 50.31 C ATOM 1077 CE2 PHE A 69 -1.911 15.229 -0.589 1.00 54.41 C ATOM 1078 CZ PHE A 69 -3.278 15.250 -0.791 1.00 73.11 C ATOM 0 H PHE A 69 -1.191 18.295 5.131 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.245 16.687 3.734 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.686 18.395 2.394 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.501 17.118 2.582 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.181 17.144 1.846 1.00 34.50 H new ATOM 0 HD2 PHE A 69 -0.295 15.882 0.640 1.00 61.42 H new ATOM 0 HE1 PHE A 69 -5.161 15.955 -0.066 1.00 50.31 H new ATOM 0 HE2 PHE A 69 -1.271 14.689 -1.272 1.00 54.41 H new ATOM 0 HZ PHE A 69 -3.709 14.729 -1.633 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.269 14.744 4.917 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.716 13.523 5.492 1.00 12.31 C ATOM 1090 C VAL A 70 -2.241 12.289 4.766 1.00 74.44 C ATOM 1091 O VAL A 70 -3.448 12.122 4.597 1.00 2.54 O ATOM 1092 CB VAL A 70 -2.051 13.406 6.990 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.319 12.225 7.609 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.707 14.698 7.716 1.00 33.01 C ATOM 0 H VAL A 70 -3.288 14.777 4.898 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.634 13.578 5.374 1.00 12.31 H new ATOM 0 HB VAL A 70 -3.122 13.234 7.093 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.568 12.157 8.668 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.620 11.306 7.106 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.244 12.364 7.497 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.950 14.597 8.774 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.642 14.904 7.607 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.281 15.520 7.288 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.324 11.426 4.340 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.695 10.205 3.634 1.00 43.14 C ATOM 1106 C ASP A 71 -2.621 10.514 2.462 1.00 50.35 C ATOM 1107 O ASP A 71 -3.581 9.787 2.208 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.371 9.222 4.590 1.00 2.43 C ATOM 1109 CG ASP A 71 -2.223 7.782 4.141 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -1.333 7.508 3.311 1.00 33.12 O1- ATOM 1111 OD2 ASP A 71 -3.000 6.928 4.619 1.00 70.50 O ATOM 0 H ASP A 71 -0.320 11.549 4.471 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.785 9.750 3.243 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -1.942 9.335 5.586 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -3.430 9.467 4.670 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.328 11.598 1.751 1.00 50.22 N ATOM 1117 CA GLY A 72 -3.145 11.986 0.617 1.00 61.42 C ATOM 1118 C GLY A 72 -4.596 12.208 0.995 1.00 44.45 C ATOM 1119 O GLY A 72 -5.491 12.042 0.168 1.00 1.33 O ATOM 0 H GLY A 72 -1.538 12.215 1.941 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.743 12.900 0.180 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -3.087 11.213 -0.150 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.827 12.581 2.249 1.00 51.05 N ATOM 1124 CA GLN A 73 -6.181 12.823 2.736 1.00 43.53 C ATOM 1125 C GLN A 73 -6.276 14.177 3.431 1.00 15.15 C ATOM 1126 O GLN A 73 -5.343 14.602 4.113 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.606 11.712 3.698 1.00 0.22 C ATOM 1128 CG GLN A 73 -6.955 10.406 3.002 1.00 40.22 C ATOM 1129 CD GLN A 73 -7.989 10.586 1.907 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -7.845 10.053 0.807 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -9.041 11.341 2.204 1.00 65.41 N ATOM 0 H GLN A 73 -4.096 12.722 2.946 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.853 12.828 1.878 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.800 11.531 4.410 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.469 12.050 4.272 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -6.050 9.973 2.575 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -7.331 9.696 3.738 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -9.120 11.764 3.129 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -9.769 11.498 1.507 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.407 14.850 3.253 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.622 16.157 3.864 1.00 50.15 C ATOM 1142 C TRP A 74 -8.033 16.014 5.325 1.00 34.22 C ATOM 1143 O TRP A 74 -9.000 15.321 5.643 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.692 16.933 3.093 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.419 17.020 1.622 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.826 16.140 0.660 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.676 18.041 0.948 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.382 16.554 -0.573 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.674 17.718 -0.424 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -7.014 19.198 1.367 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -7.035 18.510 -1.374 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -6.379 19.982 0.423 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -6.394 19.636 -0.935 1.00 51.10 C ATOM 0 H TRP A 74 -8.189 14.513 2.691 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.683 16.709 3.823 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.659 16.455 3.248 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.765 17.941 3.502 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.410 15.250 0.841 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.552 16.073 -1.456 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.999 19.475 2.411 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -7.045 18.245 -2.421 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.862 20.877 0.737 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.890 20.271 -1.649 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.294 16.674 6.211 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.583 16.622 7.639 1.00 44.01 C ATOM 1166 C VAL A 75 -7.362 17.979 8.295 1.00 31.52 C ATOM 1167 O VAL A 75 -6.471 18.733 7.903 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.711 15.571 8.350 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -7.168 14.165 7.993 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.244 15.769 7.996 1.00 31.10 C ATOM 0 H VAL A 75 -6.490 17.251 5.965 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.631 16.341 7.739 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.823 15.700 9.426 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.539 13.437 8.505 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.205 14.030 8.301 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -7.088 14.019 6.916 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.642 15.018 8.507 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -5.113 15.668 6.919 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.925 16.763 8.308 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.179 18.286 9.299 1.00 63.01 N ATOM 1181 CA HIS A 76 -8.071 19.554 10.011 1.00 74.30 C ATOM 1182 C HIS A 76 -7.509 19.343 11.414 1.00 62.21 C ATOM 1183 O HIS A 76 -7.619 18.255 11.980 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.437 20.235 10.093 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.354 19.617 11.105 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -11.154 18.529 10.830 1.00 13.43 N ATOM 1187 CD2 HIS A 76 -10.592 19.940 12.397 1.00 41.33 C ATOM 1188 CE1 HIS A 76 -11.848 18.211 11.909 1.00 11.05 C ATOM 1189 NE2 HIS A 76 -11.524 19.051 12.874 1.00 32.15 N ATOM 0 H HIS A 76 -8.922 17.674 9.637 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.386 20.196 9.457 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.295 21.288 10.338 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.912 20.197 9.113 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -10.134 20.747 12.950 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -12.559 17.402 11.988 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -11.904 19.042 13.820 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.906 20.388 11.967 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.326 20.318 13.304 1.00 33.21 C ATOM 1199 C ASP A 77 -7.331 20.776 14.356 1.00 70.34 C ATOM 1200 O ASP A 77 -7.861 21.886 14.303 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.062 21.175 13.381 1.00 62.43 C ATOM 1202 CG ASP A 77 -4.381 21.082 14.733 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -4.071 19.952 15.164 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -4.159 22.140 15.359 1.00 41.33 O ATOM 0 H ASP A 77 -6.805 21.295 11.511 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.063 19.279 13.505 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.365 20.860 12.604 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.318 22.215 13.177 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.601 19.902 15.338 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.544 20.195 16.421 1.00 45.12 C ATOM 1211 C PRO A 78 -8.015 21.256 17.379 1.00 52.21 C ATOM 1212 O PRO A 78 -8.780 21.873 18.121 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.688 18.850 17.139 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.421 18.125 16.842 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.006 18.561 15.464 1.00 33.02 C ATOM 0 HA PRO A 78 -9.485 20.596 16.045 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.824 18.986 18.212 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.555 18.298 16.776 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.652 18.367 17.576 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.571 17.046 16.881 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.921 18.591 15.362 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.380 17.882 14.698 1.00 33.02 H new ATOM 1223 N SER A 79 -6.703 21.464 17.359 1.00 35.34 N ATOM 1224 CA SER A 79 -6.071 22.449 18.228 1.00 5.14 C ATOM 1225 C SER A 79 -6.087 23.832 17.584 1.00 2.34 C ATOM 1226 O SER A 79 -6.077 24.850 18.276 1.00 53.41 O ATOM 1227 CB SER A 79 -4.631 22.037 18.540 1.00 42.01 C ATOM 1228 OG SER A 79 -4.568 21.257 19.722 1.00 3.14 O ATOM 0 H SER A 79 -6.056 20.963 16.750 1.00 35.34 H new ATOM 0 HA SER A 79 -6.639 22.493 19.158 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.223 21.469 17.704 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.012 22.927 18.654 1.00 42.01 H new ATOM 0 HG SER A 79 -3.638 21.005 19.898 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.112 23.860 16.255 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.129 25.118 15.518 1.00 31.11 C ATOM 1236 C GLU A 80 -7.533 25.430 15.008 1.00 4.43 C ATOM 1237 O GLU A 80 -8.389 24.554 14.893 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.149 25.059 14.344 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.725 25.429 14.721 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.566 26.906 15.028 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -4.023 27.339 16.107 1.00 23.05 O ATOM 1242 OE2 GLU A 80 -2.987 27.628 14.190 1.00 54.30 O1- ATOM 0 H GLU A 80 -6.121 23.026 15.667 1.00 34.21 H new ATOM 0 HA GLU A 80 -5.823 25.913 16.198 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.155 24.052 13.927 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.495 25.732 13.559 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.421 24.846 15.591 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.055 25.157 13.905 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.777 26.712 14.696 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.075 27.171 14.194 1.00 12.23 C ATOM 1251 C PRO A 81 -9.360 26.670 12.782 1.00 54.22 C ATOM 1252 O PRO A 81 -8.485 26.692 11.915 1.00 51.34 O ATOM 1253 CB PRO A 81 -8.939 28.696 14.203 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.475 28.947 14.088 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.803 27.811 14.808 1.00 34.31 C ATOM 0 HA PRO A 81 -9.901 26.799 14.800 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.484 29.147 13.374 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.343 29.124 15.120 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.166 28.984 13.043 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.207 29.905 14.534 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.850 27.551 14.348 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.597 28.061 15.849 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.590 26.219 12.556 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.991 25.715 11.248 1.00 44.45 C ATOM 1265 C VAL A 82 -12.091 26.577 10.640 1.00 64.55 C ATOM 1266 O VAL A 82 -12.936 27.118 11.353 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.486 24.258 11.337 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.426 23.372 11.972 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.790 24.185 12.115 1.00 72.14 C ATOM 0 H VAL A 82 -11.326 26.192 13.262 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.109 25.754 10.609 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.672 23.893 10.327 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.793 22.347 12.026 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.519 23.401 11.369 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.205 23.732 12.977 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.125 23.149 12.168 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.634 24.568 13.124 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.548 24.786 11.612 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.073 26.702 9.316 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.070 27.498 8.611 1.00 1.01 C ATOM 1281 C VAL A 83 -13.926 26.625 7.701 1.00 10.44 C ATOM 1282 O VAL A 83 -13.680 25.427 7.558 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.410 28.606 7.768 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.466 29.436 8.624 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.676 28.004 6.580 1.00 11.55 C ATOM 0 H VAL A 83 -11.379 26.262 8.711 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.703 27.957 9.370 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.191 29.264 7.388 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -11.009 30.214 8.012 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -12.024 29.897 9.439 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.688 28.793 9.035 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.216 28.800 5.995 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.904 27.323 6.937 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.382 27.457 5.955 1.00 11.55 H new ATOM 1295 N THR A 84 -14.936 27.233 7.084 1.00 44.21 N ATOM 1296 CA THR A 84 -15.830 26.511 6.187 1.00 74.32 C ATOM 1297 C THR A 84 -15.904 27.187 4.824 1.00 53.33 C ATOM 1298 O THR A 84 -16.408 28.304 4.700 1.00 51.12 O ATOM 1299 CB THR A 84 -17.251 26.409 6.774 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.195 26.459 8.205 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.925 25.118 6.334 1.00 25.03 C ATOM 0 H THR A 84 -15.155 28.224 7.190 1.00 44.21 H new ATOM 0 HA THR A 84 -15.419 25.508 6.070 1.00 74.32 H new ATOM 0 HB THR A 84 -17.835 27.252 6.404 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.102 26.395 8.570 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.927 25.067 6.760 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.992 25.095 5.246 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.340 24.266 6.680 1.00 25.03 H new ATOM 1309 N SER A 85 -15.399 26.505 3.801 1.00 12.31 N ATOM 1310 CA SER A 85 -15.404 27.041 2.445 1.00 62.15 C ATOM 1311 C SER A 85 -16.832 27.186 1.925 1.00 62.25 C ATOM 1312 O SER A 85 -17.795 27.042 2.677 1.00 25.40 O ATOM 1313 CB SER A 85 -14.598 26.136 1.512 1.00 73.20 C ATOM 1314 OG SER A 85 -13.893 26.898 0.547 1.00 45.01 O ATOM 0 H SER A 85 -14.981 25.579 3.886 1.00 12.31 H new ATOM 0 HA SER A 85 -14.942 28.028 2.469 1.00 62.15 H new ATOM 0 HB2 SER A 85 -13.895 25.541 2.095 1.00 73.20 H new ATOM 0 HB3 SER A 85 -15.267 25.437 1.010 1.00 73.20 H new ATOM 0 HG SER A 85 -13.384 26.297 -0.036 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.957 27.472 0.633 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.266 27.636 0.012 1.00 2.41 C ATOM 1322 C GLN A 86 -18.847 26.287 -0.398 1.00 50.10 C ATOM 1323 O GLN A 86 -20.006 26.197 -0.808 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.162 28.553 -1.209 1.00 4.33 C ATOM 1325 CG GLN A 86 -17.977 30.019 -0.855 1.00 61.13 C ATOM 1326 CD GLN A 86 -19.260 30.672 -0.379 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -20.303 30.562 -1.025 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -19.190 31.355 0.757 1.00 50.44 N ATOM 0 H GLN A 86 -16.169 27.595 -0.003 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.934 28.091 0.744 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.324 28.228 -1.826 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.063 28.444 -1.812 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.219 30.108 -0.077 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -17.603 30.555 -1.727 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -18.305 31.420 1.259 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -20.022 31.815 1.128 1.00 50.44 H new ATOM 1337 N LEU A 87 -18.037 25.241 -0.286 1.00 53.55 N ATOM 1338 CA LEU A 87 -18.471 23.895 -0.645 1.00 32.15 C ATOM 1339 C LEU A 87 -18.661 23.034 0.599 1.00 71.20 C ATOM 1340 O LEU A 87 -18.782 21.813 0.509 1.00 72.13 O ATOM 1341 CB LEU A 87 -17.453 23.242 -1.581 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.728 24.182 -2.544 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -15.317 24.465 -2.053 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -16.698 23.590 -3.946 1.00 21.21 C ATOM 0 H LEU A 87 -17.076 25.298 0.051 1.00 53.55 H new ATOM 0 HA LEU A 87 -19.429 23.974 -1.159 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -16.707 22.730 -0.973 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -17.965 22.479 -2.167 1.00 52.11 H new ATOM 0 HG LEU A 87 -17.274 25.125 -2.581 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -14.816 25.136 -2.751 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -15.361 24.932 -1.069 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -14.761 23.530 -1.986 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -16.178 24.273 -4.618 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -16.176 22.633 -3.926 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -17.718 23.440 -4.299 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.689 23.679 1.761 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.866 22.957 3.008 1.00 24.33 C ATOM 1358 C GLY A 88 -17.624 22.192 3.416 1.00 1.42 C ATOM 1359 O GLY A 88 -17.699 21.237 4.190 1.00 3.52 O ATOM 0 H GLY A 88 -18.592 24.689 1.861 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -19.131 23.661 3.797 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.700 22.262 2.907 1.00 24.33 H new ATOM 1363 N THR A 89 -16.474 22.611 2.895 1.00 71.55 N ATOM 1364 CA THR A 89 -15.210 21.958 3.208 1.00 55.20 C ATOM 1365 C THR A 89 -14.528 22.622 4.400 1.00 10.24 C ATOM 1366 O THR A 89 -14.403 23.845 4.453 1.00 41.43 O ATOM 1367 CB THR A 89 -14.250 21.984 2.003 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.700 23.296 1.843 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.972 21.573 0.729 1.00 71.24 C ATOM 0 H THR A 89 -16.393 23.400 2.254 1.00 71.55 H new ATOM 0 HA THR A 89 -15.443 20.922 3.456 1.00 55.20 H new ATOM 0 HB THR A 89 -13.445 21.274 2.192 1.00 22.31 H new ATOM 0 HG1 THR A 89 -13.090 23.304 1.076 1.00 42.53 H new ATOM 0 HG21 THR A 89 -14.275 21.599 -0.109 1.00 71.24 H new ATOM 0 HG22 THR A 89 -15.365 20.563 0.843 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.794 22.263 0.538 1.00 71.24 H new ATOM 1377 N ILE A 90 -14.090 21.806 5.353 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.419 22.315 6.544 1.00 62.33 C ATOM 1379 C ILE A 90 -11.958 22.641 6.254 1.00 55.32 C ATOM 1380 O ILE A 90 -11.168 21.758 5.925 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.489 21.305 7.703 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.936 20.877 7.951 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.885 21.906 8.965 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.831 22.008 8.408 1.00 10.43 C ATOM 0 H ILE A 90 -14.187 20.791 5.324 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.940 23.227 6.836 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.912 20.422 7.431 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.343 20.451 7.034 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.949 20.088 8.703 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.941 21.180 9.777 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.842 22.165 8.782 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.438 22.803 9.242 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.842 21.632 8.564 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.449 22.420 9.342 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.848 22.789 7.647 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.606 23.916 6.380 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.239 24.360 6.134 1.00 52.40 C ATOM 1398 C ASN A 91 -9.596 24.883 7.415 1.00 14.34 C ATOM 1399 O ASN A 91 -10.210 24.864 8.481 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.219 25.449 5.059 1.00 44.32 C ATOM 1401 CG ASN A 91 -9.988 24.886 3.669 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -9.890 23.672 3.487 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.898 25.768 2.681 1.00 51.12 N ATOM 0 H ASN A 91 -12.249 24.660 6.651 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.664 23.503 5.784 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.165 25.990 5.076 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.435 26.170 5.291 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.742 25.449 1.725 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.985 26.765 2.878 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.357 25.349 7.301 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.632 25.878 8.451 1.00 25.44 C ATOM 1412 C ASN A 92 -7.214 27.326 8.212 1.00 42.41 C ATOM 1413 O ASN A 92 -6.758 27.681 7.124 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.398 25.021 8.740 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.692 23.536 8.652 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.922 22.772 8.071 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.812 23.120 9.232 1.00 64.12 N ATOM 0 H ASN A 92 -7.834 25.371 6.425 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.298 25.848 9.314 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.609 25.275 8.032 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.021 25.256 9.735 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -8.063 22.132 9.207 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.421 23.789 9.703 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.374 28.159 9.234 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.013 29.568 9.137 1.00 13.40 C ATOM 1426 C LEU A 93 -5.861 29.903 10.079 1.00 33.45 C ATOM 1427 O LEU A 93 -5.888 29.550 11.258 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.223 30.448 9.461 1.00 61.04 C ATOM 1429 CG LEU A 93 -7.946 31.946 9.599 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.317 32.492 8.326 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.227 32.697 9.928 1.00 44.50 C ATOM 0 H LEU A 93 -7.752 27.882 10.140 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.690 29.764 8.115 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -8.969 30.307 8.679 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.666 30.094 10.392 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.243 32.092 10.419 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.127 33.559 8.443 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.377 31.975 8.134 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -7.996 32.334 7.488 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.011 33.761 10.023 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -9.954 32.544 9.130 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.636 32.325 10.867 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.851 30.585 9.550 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.691 30.969 10.344 1.00 23.02 C ATOM 1445 C ILE A 94 -3.443 32.472 10.265 1.00 33.42 C ATOM 1446 O ILE A 94 -3.488 33.063 9.186 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.423 30.227 9.884 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.214 30.675 10.709 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.176 30.466 8.402 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.305 29.537 11.115 1.00 55.11 C ATOM 0 H ILE A 94 -4.813 30.883 8.575 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.910 30.693 11.375 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.570 29.158 10.040 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.640 31.400 10.133 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.565 31.186 11.605 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.276 29.935 8.093 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.028 30.102 7.828 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.047 31.533 8.222 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.530 29.928 11.697 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.864 28.822 11.718 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.076 29.039 10.223 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.181 33.085 11.415 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.923 34.519 11.475 1.00 3.12 C ATOM 1464 C HIS A 95 -1.456 34.794 11.794 1.00 23.15 C ATOM 1465 O HIS A 95 -0.824 34.054 12.546 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.817 35.175 12.528 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.281 35.008 12.259 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.261 35.471 13.112 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.929 34.427 11.223 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.448 35.181 12.613 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.275 34.547 11.466 1.00 25.13 N ATOM 0 H HIS A 95 -3.142 32.611 12.317 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.151 34.946 10.498 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.585 34.751 13.505 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.584 36.239 12.579 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.094 35.961 13.991 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.472 33.956 10.365 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.399 35.421 13.065 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.921 35.865 11.214 1.00 71.41 N ATOM 1480 CA VAL A 96 0.471 36.238 11.436 1.00 30.12 C ATOM 1481 C VAL A 96 0.573 37.604 12.106 1.00 32.13 C ATOM 1482 O VAL A 96 0.001 38.585 11.630 1.00 62.43 O ATOM 1483 CB VAL A 96 1.262 36.266 10.114 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.696 36.708 10.360 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.223 34.901 9.443 1.00 60.41 C ATOM 0 H VAL A 96 -1.430 36.488 10.588 1.00 71.41 H new ATOM 0 HA VAL A 96 0.901 35.481 12.092 1.00 30.12 H new ATOM 0 HB VAL A 96 0.795 36.988 9.445 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.240 36.722 9.415 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.699 37.707 10.795 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.179 36.012 11.046 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.786 34.938 8.511 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.666 34.157 10.105 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.189 34.629 9.232 1.00 60.41 H new ATOM 1495 N LYS A 97 1.307 37.662 13.211 1.00 13.43 N ATOM 1496 CA LYS A 97 1.487 38.907 13.947 1.00 32.32 C ATOM 1497 C LYS A 97 2.919 39.417 13.812 1.00 33.23 C ATOM 1498 O LYS A 97 3.862 38.631 13.723 1.00 53.25 O ATOM 1499 CB LYS A 97 1.144 38.706 15.425 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.336 38.482 15.681 1.00 24.53 C ATOM 1501 CD LYS A 97 -0.572 37.740 16.985 1.00 41.45 C ATOM 1502 CE LYS A 97 -0.229 38.605 18.189 1.00 62.22 C ATOM 1503 NZ LYS A 97 -1.187 39.734 18.351 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.788 36.860 13.617 1.00 13.43 H new ATOM 0 HA LYS A 97 0.813 39.651 13.522 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.703 37.852 15.806 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.473 39.579 15.988 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.850 39.443 15.710 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.767 37.915 14.856 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -1.615 37.429 17.044 1.00 41.45 H new ATOM 0 HD3 LYS A 97 0.032 36.833 17.003 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -0.234 37.992 19.090 1.00 62.22 H new ATOM 0 HE3 LYS A 97 0.781 38.999 18.077 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -1.072 40.154 19.295 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -0.999 40.455 17.626 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -2.160 39.382 18.246 1.00 53.42 H new ATOM 1517 N LYS A 98 3.074 40.736 13.799 1.00 54.02 N ATOM 1518 CA LYS A 98 4.390 41.352 13.677 1.00 54.22 C ATOM 1519 C LYS A 98 5.105 41.376 15.024 1.00 33.52 C ATOM 1520 O LYS A 98 4.683 42.070 15.950 1.00 54.13 O ATOM 1521 CB LYS A 98 4.262 42.775 13.130 1.00 72.45 C ATOM 1522 CG LYS A 98 5.592 43.407 12.763 1.00 22.24 C ATOM 1523 CD LYS A 98 6.063 42.959 11.389 1.00 61.03 C ATOM 1524 CE LYS A 98 5.264 43.626 10.281 1.00 12.11 C ATOM 1525 NZ LYS A 98 5.877 44.915 9.853 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.303 41.400 13.872 1.00 54.02 H new ATOM 0 HA LYS A 98 4.980 40.755 12.982 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.621 42.760 12.249 1.00 72.45 H new ATOM 0 HB3 LYS A 98 3.766 43.398 13.874 1.00 72.45 H new ATOM 0 HG2 LYS A 98 5.497 44.493 12.780 1.00 22.24 H new ATOM 0 HG3 LYS A 98 6.340 43.141 13.510 1.00 22.24 H new ATOM 0 HD2 LYS A 98 7.120 43.197 11.270 1.00 61.03 H new ATOM 0 HD3 LYS A 98 5.968 41.876 11.306 1.00 61.03 H new ATOM 0 HE2 LYS A 98 5.198 42.954 9.426 1.00 12.11 H new ATOM 0 HE3 LYS A 98 4.245 43.805 10.625 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 5.303 45.338 9.096 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 5.917 45.566 10.663 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 6.840 44.741 9.501 1.00 62.45 H new