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 Set 1.1: A 34 SER OG : rot 180:sc= -0.662 USER MOD Set 1.2: A 38 ASN : amide:sc= 0.234 K(o=-0.43,f=-5.5!) USER MOD Single : A 20 THR OG1 : rot -150:sc= -0.0876 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 -13:sc= 0.247! USER MOD Single : A 39 ASN : amide:sc= -0.094 K(o=-0.094,f=-0.9) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= -0.0906 (180deg=-0.732) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.049 USER MOD Single : A 50 HIS : no HD1:sc= -0.057 X(o=-0.057,f=-0.5) USER MOD Single : A 51 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.4) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.816 F(o=-2.4,f=-0.82) USER MOD Single : A 65 GLN : amide:sc= -3.74! C(o=-3.7!,f=-9.1!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 148:sc= -3.51! (180deg=-3.84!) USER MOD Single : A 73 GLN : amide:sc=-0.00288 X(o=-0.0029,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.903 F(o=-2.1!,f=-0.9) 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= -0.23 K(o=-0.23,f=-2.6!) USER MOD Single : A 89 THR OG1 : rot 15:sc= 0.175! USER MOD Single : A 91 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.1!) USER MOD Single : A 92 ASN : amide:sc= -2.23 X(o=-2.2,f=-1.9!) USER MOD Single : A 95 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-8.2!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.139 38.237 8.493 1.00 33.52 N ATOM 244 CA ARG A 18 6.968 37.518 9.750 1.00 13.22 C ATOM 245 C ARG A 18 6.544 36.075 9.498 1.00 32.13 C ATOM 246 O ARG A 18 5.362 35.767 9.343 1.00 45.04 O ATOM 247 CB ARG A 18 5.928 38.221 10.626 1.00 74.21 C ATOM 248 CG ARG A 18 6.165 38.040 12.116 1.00 51.14 C ATOM 249 CD ARG A 18 5.525 36.762 12.633 1.00 72.54 C ATOM 250 NE ARG A 18 6.219 36.236 13.804 1.00 24.34 N ATOM 251 CZ ARG A 18 5.888 35.099 14.406 1.00 34.35 C ATOM 252 NH1 ARG A 18 4.878 34.372 13.948 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 6.567 34.686 15.469 1.00 44.41 N ATOM 0 HA ARG A 18 7.926 37.511 10.269 1.00 13.22 H new ATOM 0 HB2 ARG A 18 5.929 39.286 10.393 1.00 74.21 H new ATOM 0 HB3 ARG A 18 4.938 37.841 10.375 1.00 74.21 H new ATOM 0 HG2 ARG A 18 7.237 38.017 12.314 1.00 51.14 H new ATOM 0 HG3 ARG A 18 5.759 38.895 12.656 1.00 51.14 H new ATOM 0 HD2 ARG A 18 4.483 36.956 12.886 1.00 72.54 H new ATOM 0 HD3 ARG A 18 5.527 36.011 11.843 1.00 72.54 H new ATOM 0 HE ARG A 18 7.001 36.771 14.181 1.00 24.34 H new ATOM 0 HH11 ARG A 18 4.353 34.685 13.132 1.00 13.44 H new ATOM 0 HH12 ARG A 18 4.626 33.499 14.412 1.00 13.44 H new ATOM 0 HH21 ARG A 18 7.345 35.242 15.825 1.00 44.41 H new ATOM 0 HH22 ARG A 18 6.311 33.813 15.930 1.00 44.41 H new ATOM 267 N PRO A 19 7.531 35.168 9.453 1.00 42.30 N ATOM 268 CA PRO A 19 7.284 33.741 9.220 1.00 72.54 C ATOM 269 C PRO A 19 6.589 33.072 10.400 1.00 40.44 C ATOM 270 O PRO A 19 6.808 33.441 11.555 1.00 14.01 O ATOM 271 CB PRO A 19 8.691 33.165 9.031 1.00 10.11 C ATOM 272 CG PRO A 19 9.586 34.102 9.765 1.00 63.22 C ATOM 273 CD PRO A 19 8.963 35.463 9.629 1.00 44.21 C ATOM 0 HA PRO A 19 6.622 33.575 8.370 1.00 72.54 H new ATOM 0 HB2 PRO A 19 8.762 32.154 9.432 1.00 10.11 H new ATOM 0 HB3 PRO A 19 8.957 33.109 7.975 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.674 33.816 10.813 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.592 34.090 9.345 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.141 36.076 10.512 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.369 36.007 8.776 1.00 44.21 H new ATOM 281 N THR A 20 5.749 32.085 10.104 1.00 65.22 N ATOM 282 CA THR A 20 5.021 31.364 11.141 1.00 1.42 C ATOM 283 C THR A 20 5.336 29.872 11.098 1.00 44.04 C ATOM 284 O THR A 20 5.446 29.282 10.023 1.00 14.52 O ATOM 285 CB THR A 20 3.500 31.561 10.999 1.00 74.14 C ATOM 286 OG1 THR A 20 3.169 32.945 11.151 1.00 14.13 O ATOM 287 CG2 THR A 20 2.749 30.737 12.034 1.00 21.30 C ATOM 0 H THR A 20 5.556 31.767 9.154 1.00 65.22 H new ATOM 0 HA THR A 20 5.345 31.773 12.098 1.00 1.42 H new ATOM 0 HB THR A 20 3.203 31.225 10.006 1.00 74.14 H new ATOM 0 HG1 THR A 20 2.269 33.026 11.530 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.677 30.892 11.914 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.980 29.681 11.896 1.00 21.30 H new ATOM 0 HG23 THR A 20 3.051 31.047 13.034 1.00 21.30 H new ATOM 295 N VAL A 21 5.478 29.268 12.273 1.00 72.24 N ATOM 296 CA VAL A 21 5.778 27.845 12.370 1.00 21.13 C ATOM 297 C VAL A 21 4.558 27.057 12.837 1.00 13.22 C ATOM 298 O VAL A 21 4.009 27.321 13.907 1.00 54.24 O ATOM 299 CB VAL A 21 6.946 27.582 13.337 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.659 28.193 14.701 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.212 26.089 13.458 1.00 62.22 C ATOM 0 H VAL A 21 5.390 29.742 13.172 1.00 72.24 H new ATOM 0 HA VAL A 21 6.062 27.513 11.371 1.00 21.13 H new ATOM 0 HB VAL A 21 7.841 28.056 12.934 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.496 27.997 15.371 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.523 29.269 14.596 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.752 27.751 15.114 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.041 25.922 14.146 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.320 25.590 13.837 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.466 25.684 12.478 1.00 62.22 H new ATOM 311 N ILE A 22 4.141 26.090 12.027 1.00 3.43 N ATOM 312 CA ILE A 22 2.987 25.263 12.358 1.00 12.44 C ATOM 313 C ILE A 22 3.410 23.835 12.685 1.00 32.43 C ATOM 314 O ILE A 22 4.310 23.282 12.051 1.00 24.12 O ATOM 315 CB ILE A 22 1.967 25.232 11.204 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.683 26.651 10.708 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.680 24.554 11.653 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.690 26.704 9.567 1.00 60.50 C ATOM 0 H ILE A 22 4.584 25.860 11.138 1.00 3.43 H new ATOM 0 HA ILE A 22 2.519 25.711 13.234 1.00 12.44 H new ATOM 0 HB ILE A 22 2.389 24.657 10.380 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.304 27.248 11.537 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.618 27.109 10.387 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.031 24.540 10.827 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.896 23.532 11.963 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.252 25.105 12.491 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.536 27.740 9.266 1.00 60.50 H new ATOM 0 HD12 ILE A 22 1.076 26.134 8.722 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.259 26.276 9.890 1.00 60.50 H new ATOM 330 N ARG A 23 2.757 23.243 13.679 1.00 11.32 N ATOM 331 CA ARG A 23 3.065 21.878 14.091 1.00 71.41 C ATOM 332 C ARG A 23 1.877 20.954 13.840 1.00 72.25 C ATOM 333 O ARG A 23 0.723 21.372 13.930 1.00 15.13 O ATOM 334 CB ARG A 23 3.448 21.844 15.571 1.00 10.01 C ATOM 335 CG ARG A 23 3.621 20.438 16.123 1.00 51.15 C ATOM 336 CD ARG A 23 2.347 19.942 16.790 1.00 13.14 C ATOM 337 NE ARG A 23 2.629 19.080 17.936 1.00 73.24 N ATOM 338 CZ ARG A 23 1.688 18.578 18.726 1.00 1.22 C ATOM 339 NH1 ARG A 23 0.410 18.848 18.497 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 2.024 17.801 19.749 1.00 60.42 N ATOM 0 H ARG A 23 2.011 23.687 14.215 1.00 11.32 H new ATOM 0 HA ARG A 23 3.908 21.527 13.497 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.377 22.397 15.710 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.681 22.360 16.148 1.00 10.01 H new ATOM 0 HG2 ARG A 23 3.898 19.760 15.316 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.439 20.427 16.844 1.00 51.15 H new ATOM 0 HD2 ARG A 23 1.752 20.795 17.116 1.00 13.14 H new ATOM 0 HD3 ARG A 23 1.747 19.394 16.063 1.00 13.14 H new ATOM 0 HE ARG A 23 3.602 18.852 18.140 1.00 73.24 H new ATOM 0 HH11 ARG A 23 0.147 19.443 17.711 1.00 61.23 H new ATOM 0 HH12 ARG A 23 -0.310 18.460 19.106 1.00 61.23 H new ATOM 0 HH21 ARG A 23 3.006 17.590 19.928 1.00 60.42 H new ATOM 0 HH22 ARG A 23 1.300 17.415 20.356 1.00 60.42 H new ATOM 354 N TRP A 24 2.168 19.696 13.528 1.00 3.23 N ATOM 355 CA TRP A 24 1.125 18.713 13.264 1.00 15.23 C ATOM 356 C TRP A 24 1.396 17.415 14.019 1.00 63.45 C ATOM 357 O TRP A 24 2.505 16.883 13.977 1.00 54.01 O ATOM 358 CB TRP A 24 1.026 18.433 11.764 1.00 72.25 C ATOM 359 CG TRP A 24 0.127 17.280 11.432 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.510 16.019 11.075 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.304 17.284 11.426 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.599 15.239 10.846 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.724 15.992 11.055 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.274 18.254 11.698 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -3.068 15.646 10.951 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.608 17.910 11.594 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.996 16.615 11.223 1.00 33.23 C ATOM 0 H TRP A 24 3.118 19.333 13.452 1.00 3.23 H new ATOM 0 HA TRP A 24 0.178 19.124 13.613 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.660 19.327 11.258 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.023 18.231 11.373 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.533 15.684 10.986 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.586 14.258 10.566 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.985 19.255 11.984 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.368 14.649 10.666 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.365 18.652 11.802 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -5.047 16.377 11.150 1.00 33.23 H new ATOM 378 N SER A 25 0.376 16.913 14.708 1.00 32.42 N ATOM 379 CA SER A 25 0.507 15.679 15.475 1.00 61.31 C ATOM 380 C SER A 25 -0.678 14.754 15.220 1.00 1.43 C ATOM 381 O SER A 25 -1.804 15.044 15.622 1.00 0.20 O ATOM 382 CB SER A 25 0.612 15.992 16.970 1.00 74.14 C ATOM 383 OG SER A 25 0.351 14.839 17.751 1.00 11.02 O ATOM 0 H SER A 25 -0.549 17.341 14.751 1.00 32.42 H new ATOM 0 HA SER A 25 1.417 15.173 15.152 1.00 61.31 H new ATOM 0 HB2 SER A 25 1.609 16.371 17.196 1.00 74.14 H new ATOM 0 HB3 SER A 25 -0.095 16.780 17.231 1.00 74.14 H new ATOM 0 HG SER A 25 0.426 15.064 18.702 1.00 11.02 H new ATOM 389 N GLU A 26 -0.414 13.636 14.549 1.00 53.04 N ATOM 390 CA GLU A 26 -1.459 12.667 14.239 1.00 60.10 C ATOM 391 C GLU A 26 -0.879 11.259 14.129 1.00 74.23 C ATOM 392 O GLU A 26 -1.446 10.301 14.651 1.00 22.33 O ATOM 393 CB GLU A 26 -2.164 13.044 12.935 1.00 62.15 C ATOM 394 CG GLU A 26 -3.535 12.407 12.778 1.00 12.22 C ATOM 395 CD GLU A 26 -4.442 12.678 13.961 1.00 34.13 C ATOM 396 OE1 GLU A 26 -5.024 13.782 14.024 1.00 23.12 O1- ATOM 397 OE2 GLU A 26 -4.572 11.785 14.826 1.00 61.43 O ATOM 0 H GLU A 26 0.513 13.380 14.210 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.185 12.680 15.052 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.269 14.128 12.889 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.537 12.748 12.094 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -4.005 12.785 11.870 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.419 11.330 12.653 1.00 12.22 H new ATOM 404 N GLY A 27 0.254 11.144 13.443 1.00 15.14 N ATOM 405 CA GLY A 27 0.891 9.851 13.275 1.00 4.13 C ATOM 406 C GLY A 27 0.927 9.407 11.827 1.00 73.25 C ATOM 407 O GLY A 27 0.696 8.237 11.522 1.00 40.05 O ATOM 0 H GLY A 27 0.742 11.923 13.001 1.00 15.14 H new ATOM 0 HA2 GLY A 27 1.909 9.897 13.663 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.358 9.107 13.867 1.00 4.13 H new ATOM 411 N GLY A 28 1.216 10.344 10.928 1.00 1.41 N ATOM 412 CA GLY A 28 1.274 10.022 9.513 1.00 61.23 C ATOM 413 C GLY A 28 2.697 9.870 9.012 1.00 31.04 C ATOM 414 O GLY A 28 3.651 10.187 9.722 1.00 11.20 O ATOM 0 H GLY A 28 1.411 11.319 11.154 1.00 1.41 H new ATOM 0 HA2 GLY A 28 0.727 9.097 9.331 1.00 61.23 H new ATOM 0 HA3 GLY A 28 0.773 10.805 8.944 1.00 61.23 H new ATOM 418 N LYS A 29 2.840 9.382 7.784 1.00 2.02 N ATOM 419 CA LYS A 29 4.155 9.187 7.187 1.00 70.24 C ATOM 420 C LYS A 29 4.559 10.398 6.352 1.00 44.33 C ATOM 421 O LYS A 29 5.658 10.928 6.505 1.00 44.34 O ATOM 422 CB LYS A 29 4.160 7.929 6.315 1.00 33.13 C ATOM 423 CG LYS A 29 3.585 6.706 7.009 1.00 54.20 C ATOM 424 CD LYS A 29 2.131 6.481 6.626 1.00 2.42 C ATOM 425 CE LYS A 29 2.008 5.565 5.418 1.00 32.15 C ATOM 426 NZ LYS A 29 0.692 4.868 5.382 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.060 9.114 7.183 1.00 2.02 H new ATOM 0 HA LYS A 29 4.878 9.066 7.994 1.00 70.24 H new ATOM 0 HB2 LYS A 29 3.588 8.124 5.408 1.00 33.13 H new ATOM 0 HB3 LYS A 29 5.183 7.714 6.007 1.00 33.13 H new ATOM 0 HG2 LYS A 29 4.172 5.827 6.745 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.663 6.829 8.089 1.00 54.20 H new ATOM 0 HD2 LYS A 29 1.595 6.046 7.470 1.00 2.42 H new ATOM 0 HD3 LYS A 29 1.659 7.439 6.407 1.00 2.42 H new ATOM 0 HE2 LYS A 29 2.135 6.148 4.506 1.00 32.15 H new ATOM 0 HE3 LYS A 29 2.810 4.827 5.439 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 0.647 4.253 4.544 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 0.581 4.292 6.240 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 -0.072 5.572 5.336 1.00 31.05 H new ATOM 440 N GLU A 30 3.661 10.830 5.471 1.00 70.41 N ATOM 441 CA GLU A 30 3.926 11.979 4.614 1.00 31.12 C ATOM 442 C GLU A 30 2.936 13.106 4.893 1.00 62.13 C ATOM 443 O GLU A 30 1.729 12.949 4.705 1.00 50.04 O ATOM 444 CB GLU A 30 3.850 11.573 3.141 1.00 52.54 C ATOM 445 CG GLU A 30 2.660 10.685 2.815 1.00 64.11 C ATOM 446 CD GLU A 30 2.661 10.213 1.374 1.00 64.32 C ATOM 447 OE1 GLU A 30 3.736 9.809 0.883 1.00 24.13 O1- ATOM 448 OE2 GLU A 30 1.588 10.248 0.738 1.00 41.54 O ATOM 0 H GLU A 30 2.746 10.402 5.333 1.00 70.41 H new ATOM 0 HA GLU A 30 4.931 12.339 4.833 1.00 31.12 H new ATOM 0 HB2 GLU A 30 3.801 12.472 2.527 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.767 11.051 2.869 1.00 52.54 H new ATOM 0 HG2 GLU A 30 2.666 9.819 3.477 1.00 64.11 H new ATOM 0 HG3 GLU A 30 1.738 11.232 3.014 1.00 64.11 H new ATOM 455 N VAL A 31 3.454 14.243 5.346 1.00 74.14 N ATOM 456 CA VAL A 31 2.618 15.397 5.652 1.00 50.44 C ATOM 457 C VAL A 31 3.022 16.606 4.817 1.00 42.45 C ATOM 458 O VAL A 31 4.195 16.783 4.488 1.00 5.15 O ATOM 459 CB VAL A 31 2.697 15.769 7.145 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.670 16.837 7.485 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.500 14.533 8.012 1.00 3.42 C ATOM 0 H VAL A 31 4.450 14.389 5.509 1.00 74.14 H new ATOM 0 HA VAL A 31 1.593 15.117 5.409 1.00 50.44 H new ATOM 0 HB VAL A 31 3.688 16.175 7.349 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.741 17.086 8.544 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.861 17.729 6.888 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.670 16.463 7.267 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.559 14.813 9.064 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.522 14.097 7.807 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.278 13.803 7.787 1.00 3.42 H new ATOM 471 N PHE A 32 2.042 17.438 4.477 1.00 3.30 N ATOM 472 CA PHE A 32 2.296 18.632 3.678 1.00 33.30 C ATOM 473 C PHE A 32 1.361 19.767 4.086 1.00 0.43 C ATOM 474 O PHE A 32 0.447 19.574 4.888 1.00 64.31 O ATOM 475 CB PHE A 32 2.123 18.322 2.190 1.00 54.22 C ATOM 476 CG PHE A 32 2.823 17.067 1.753 1.00 44.23 C ATOM 477 CD1 PHE A 32 2.209 15.833 1.887 1.00 61.04 C ATOM 478 CD2 PHE A 32 4.097 17.122 1.209 1.00 31.12 C ATOM 479 CE1 PHE A 32 2.850 14.676 1.486 1.00 62.11 C ATOM 480 CE2 PHE A 32 4.743 15.968 0.807 1.00 15.41 C ATOM 481 CZ PHE A 32 4.120 14.745 0.946 1.00 40.11 C ATOM 0 H PHE A 32 1.066 17.307 4.742 1.00 3.30 H new ATOM 0 HA PHE A 32 3.323 18.949 3.858 1.00 33.30 H new ATOM 0 HB2 PHE A 32 1.060 18.232 1.967 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.501 19.161 1.606 1.00 54.22 H new ATOM 0 HD1 PHE A 32 1.217 15.774 2.310 1.00 61.04 H new ATOM 0 HD2 PHE A 32 4.590 18.077 1.098 1.00 31.12 H new ATOM 0 HE1 PHE A 32 2.359 13.720 1.594 1.00 62.11 H new ATOM 0 HE2 PHE A 32 5.735 16.024 0.384 1.00 15.41 H new ATOM 0 HZ PHE A 32 4.624 13.843 0.633 1.00 40.11 H new ATOM 491 N ILE A 33 1.597 20.949 3.527 1.00 13.34 N ATOM 492 CA ILE A 33 0.777 22.114 3.831 1.00 72.44 C ATOM 493 C ILE A 33 0.713 23.068 2.642 1.00 11.41 C ATOM 494 O ILE A 33 1.715 23.300 1.966 1.00 13.30 O ATOM 495 CB ILE A 33 1.313 22.876 5.057 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.430 24.090 5.356 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.753 23.306 4.825 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.738 24.749 6.683 1.00 0.14 C ATOM 0 H ILE A 33 2.349 21.125 2.861 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.224 21.745 4.052 1.00 72.44 H new ATOM 0 HB ILE A 33 1.288 22.211 5.920 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.552 24.823 4.559 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.615 23.780 5.347 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.118 23.843 5.700 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.373 22.426 4.655 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.802 23.958 3.953 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.075 25.601 6.829 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.588 24.031 7.489 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.773 25.090 6.688 1.00 0.14 H new ATOM 510 N SER A 34 -0.471 23.618 2.393 1.00 74.21 N ATOM 511 CA SER A 34 -0.666 24.545 1.285 1.00 21.11 C ATOM 512 C SER A 34 -1.761 25.557 1.609 1.00 75.54 C ATOM 513 O SER A 34 -2.793 25.211 2.181 1.00 75.43 O ATOM 514 CB SER A 34 -1.025 23.780 0.010 1.00 25.35 C ATOM 515 OG SER A 34 -0.038 23.963 -0.990 1.00 52.43 O ATOM 0 H SER A 34 -1.310 23.437 2.944 1.00 74.21 H new ATOM 0 HA SER A 34 0.268 25.084 1.127 1.00 21.11 H new ATOM 0 HB2 SER A 34 -1.126 22.718 0.236 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.991 24.120 -0.362 1.00 25.35 H new ATOM 0 HG SER A 34 -0.290 23.463 -1.794 1.00 52.43 H new ATOM 521 N GLY A 35 -1.526 26.812 1.238 1.00 54.31 N ATOM 522 CA GLY A 35 -2.499 27.857 1.498 1.00 42.32 C ATOM 523 C GLY A 35 -2.347 29.038 0.560 1.00 45.21 C ATOM 524 O GLY A 35 -1.616 28.964 -0.428 1.00 21.03 O ATOM 0 H GLY A 35 -0.679 27.124 0.762 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.504 27.446 1.400 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.394 28.199 2.528 1.00 42.32 H new ATOM 528 N SER A 36 -3.041 30.129 0.867 1.00 75.24 N ATOM 529 CA SER A 36 -2.984 31.329 0.040 1.00 34.33 C ATOM 530 C SER A 36 -1.585 31.938 0.061 1.00 71.13 C ATOM 531 O SER A 36 -1.249 32.779 -0.772 1.00 4.31 O ATOM 532 CB SER A 36 -4.007 32.357 0.525 1.00 65.34 C ATOM 533 OG SER A 36 -3.823 33.604 -0.122 1.00 13.12 O ATOM 0 H SER A 36 -3.649 30.207 1.682 1.00 75.24 H new ATOM 0 HA SER A 36 -3.222 31.045 -0.985 1.00 34.33 H new ATOM 0 HB2 SER A 36 -5.015 31.990 0.333 1.00 65.34 H new ATOM 0 HB3 SER A 36 -3.914 32.486 1.603 1.00 65.34 H new ATOM 0 HG SER A 36 -2.958 33.609 -0.582 1.00 13.12 H new ATOM 539 N PHE A 37 -0.773 31.505 1.021 1.00 23.10 N ATOM 540 CA PHE A 37 0.589 32.007 1.153 1.00 11.12 C ATOM 541 C PHE A 37 1.476 31.476 0.030 1.00 50.51 C ATOM 542 O PHE A 37 2.545 32.021 -0.241 1.00 73.12 O ATOM 543 CB PHE A 37 1.173 31.608 2.511 1.00 22.03 C ATOM 544 CG PHE A 37 1.164 30.127 2.755 1.00 62.52 C ATOM 545 CD1 PHE A 37 2.147 29.315 2.212 1.00 4.33 C ATOM 546 CD2 PHE A 37 0.174 29.544 3.529 1.00 1.14 C ATOM 547 CE1 PHE A 37 2.141 27.952 2.435 1.00 63.12 C ATOM 548 CE2 PHE A 37 0.162 28.181 3.756 1.00 24.12 C ATOM 549 CZ PHE A 37 1.147 27.384 3.209 1.00 45.15 C ATOM 0 H PHE A 37 -1.035 30.808 1.718 1.00 23.10 H new ATOM 0 HA PHE A 37 0.557 33.094 1.084 1.00 11.12 H new ATOM 0 HB2 PHE A 37 2.198 31.973 2.578 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.606 32.102 3.300 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.927 29.753 1.607 1.00 4.33 H new ATOM 0 HD2 PHE A 37 -0.599 30.163 3.961 1.00 1.14 H new ATOM 0 HE1 PHE A 37 2.913 27.331 2.005 1.00 63.12 H new ATOM 0 HE2 PHE A 37 -0.617 27.740 4.360 1.00 24.12 H new ATOM 0 HZ PHE A 37 1.141 26.319 3.385 1.00 45.15 H new ATOM 559 N ASN A 38 1.023 30.408 -0.618 1.00 22.03 N ATOM 560 CA ASN A 38 1.775 29.802 -1.711 1.00 73.21 C ATOM 561 C ASN A 38 0.904 29.653 -2.954 1.00 65.12 C ATOM 562 O ASN A 38 1.246 28.921 -3.882 1.00 33.34 O ATOM 563 CB ASN A 38 2.317 28.435 -1.289 1.00 74.54 C ATOM 564 CG ASN A 38 1.300 27.326 -1.480 1.00 31.23 C ATOM 565 OD1 ASN A 38 0.306 27.249 -0.759 1.00 32.13 O ATOM 566 ND2 ASN A 38 1.547 26.460 -2.456 1.00 70.32 N ATOM 0 H ASN A 38 0.140 29.944 -0.406 1.00 22.03 H new ATOM 0 HA ASN A 38 2.611 30.459 -1.951 1.00 73.21 H new ATOM 0 HB2 ASN A 38 3.212 28.207 -1.868 1.00 74.54 H new ATOM 0 HB3 ASN A 38 2.616 28.473 -0.242 1.00 74.54 H new ATOM 0 HD21 ASN A 38 0.899 25.692 -2.632 1.00 70.32 H new ATOM 0 HD22 ASN A 38 2.384 26.563 -3.029 1.00 70.32 H new ATOM 573 N ASN A 39 -0.225 30.356 -2.967 1.00 74.22 N ATOM 574 CA ASN A 39 -1.146 30.303 -4.096 1.00 43.44 C ATOM 575 C ASN A 39 -1.661 28.882 -4.312 1.00 54.22 C ATOM 576 O ASN A 39 -2.140 28.542 -5.394 1.00 61.41 O ATOM 577 CB ASN A 39 -0.458 30.806 -5.367 1.00 4.25 C ATOM 578 CG ASN A 39 -1.444 31.363 -6.375 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.628 31.031 -6.352 1.00 13.05 O ATOM 580 ND2 ASN A 39 -0.956 32.217 -7.268 1.00 32.44 N ATOM 0 H ASN A 39 -0.523 30.969 -2.208 1.00 74.22 H new ATOM 0 HA ASN A 39 -1.995 30.948 -3.870 1.00 43.44 H new ATOM 0 HB2 ASN A 39 0.265 31.579 -5.104 1.00 4.25 H new ATOM 0 HB3 ASN A 39 0.101 29.988 -5.823 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -1.571 32.626 -7.972 1.00 32.44 H new ATOM 0 HD22 ASN A 39 0.033 32.464 -7.250 1.00 32.44 H new ATOM 587 N TRP A 40 -1.560 28.059 -3.275 1.00 11.01 N ATOM 588 CA TRP A 40 -2.016 26.675 -3.351 1.00 32.51 C ATOM 589 C TRP A 40 -1.429 25.975 -4.571 1.00 23.40 C ATOM 590 O TRP A 40 -2.050 25.078 -5.141 1.00 14.41 O ATOM 591 CB TRP A 40 -3.544 26.623 -3.402 1.00 1.54 C ATOM 592 CG TRP A 40 -4.203 27.485 -2.368 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.370 28.839 -2.416 1.00 31.41 C ATOM 594 CD2 TRP A 40 -4.783 27.050 -1.133 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.018 29.273 -1.284 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.283 28.195 -0.483 1.00 20.21 C ATOM 597 CE3 TRP A 40 -4.929 25.806 -0.514 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -5.916 28.129 0.755 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.558 25.742 0.714 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.046 26.898 1.338 1.00 71.30 C ATOM 0 H TRP A 40 -1.167 28.325 -2.372 1.00 11.01 H new ATOM 0 HA TRP A 40 -1.672 26.155 -2.457 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -3.878 26.935 -4.391 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -3.870 25.592 -3.266 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.041 29.475 -3.224 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.262 30.241 -1.075 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.556 24.910 -0.988 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.292 29.019 1.239 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.676 24.785 1.201 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.534 26.816 2.298 1.00 71.30 H new ATOM 611 N SER A 41 -0.229 26.390 -4.966 1.00 74.51 N ATOM 612 CA SER A 41 0.439 25.803 -6.121 1.00 24.05 C ATOM 613 C SER A 41 1.126 24.493 -5.745 1.00 42.45 C ATOM 614 O SER A 41 0.676 23.411 -6.123 1.00 72.12 O ATOM 615 CB SER A 41 1.465 26.783 -6.695 1.00 64.43 C ATOM 616 OG SER A 41 2.231 26.176 -7.722 1.00 75.12 O ATOM 0 H SER A 41 0.299 27.130 -4.503 1.00 74.51 H new ATOM 0 HA SER A 41 -0.316 25.592 -6.878 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.953 27.661 -7.089 1.00 64.43 H new ATOM 0 HB3 SER A 41 2.126 27.129 -5.900 1.00 64.43 H new ATOM 0 HG SER A 41 2.878 26.823 -8.073 1.00 75.12 H new ATOM 622 N THR A 42 2.220 24.599 -4.997 1.00 73.54 N ATOM 623 CA THR A 42 2.970 23.425 -4.569 1.00 45.04 C ATOM 624 C THR A 42 2.823 23.195 -3.070 1.00 34.20 C ATOM 625 O THR A 42 3.089 24.087 -2.265 1.00 34.44 O ATOM 626 CB THR A 42 4.466 23.558 -4.913 1.00 1.10 C ATOM 627 OG1 THR A 42 5.205 22.495 -4.302 1.00 15.30 O ATOM 628 CG2 THR A 42 5.011 24.898 -4.443 1.00 52.41 C ATOM 0 H THR A 42 2.606 25.486 -4.675 1.00 73.54 H new ATOM 0 HA THR A 42 2.556 22.572 -5.107 1.00 45.04 H new ATOM 0 HB THR A 42 4.575 23.499 -5.996 1.00 1.10 H new ATOM 0 HG1 THR A 42 6.155 22.586 -4.527 1.00 15.30 H new ATOM 0 HG21 THR A 42 6.069 24.970 -4.696 1.00 52.41 H new ATOM 0 HG22 THR A 42 4.465 25.705 -4.932 1.00 52.41 H new ATOM 0 HG23 THR A 42 4.890 24.981 -3.363 1.00 52.41 H new ATOM 636 N LYS A 43 2.398 21.991 -2.700 1.00 53.21 N ATOM 637 CA LYS A 43 2.216 21.641 -1.296 1.00 62.12 C ATOM 638 C LYS A 43 3.563 21.447 -0.606 1.00 0.51 C ATOM 639 O LYS A 43 4.263 20.465 -0.854 1.00 42.43 O ATOM 640 CB LYS A 43 1.380 20.366 -1.171 1.00 42.01 C ATOM 641 CG LYS A 43 1.861 19.233 -2.058 1.00 13.53 C ATOM 642 CD LYS A 43 1.777 17.892 -1.348 1.00 24.00 C ATOM 643 CE LYS A 43 0.746 16.981 -1.996 1.00 21.13 C ATOM 644 NZ LYS A 43 1.048 16.737 -3.433 1.00 63.23 N1+ ATOM 0 H LYS A 43 2.173 21.241 -3.354 1.00 53.21 H new ATOM 0 HA LYS A 43 1.691 22.462 -0.808 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.393 20.034 -0.133 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.344 20.596 -1.419 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.261 19.202 -2.967 1.00 13.53 H new ATOM 0 HG3 LYS A 43 2.891 19.420 -2.362 1.00 13.53 H new ATOM 0 HD2 LYS A 43 2.754 17.408 -1.366 1.00 24.00 H new ATOM 0 HD3 LYS A 43 1.518 18.049 -0.301 1.00 24.00 H new ATOM 0 HE2 LYS A 43 0.716 16.030 -1.464 1.00 21.13 H new ATOM 0 HE3 LYS A 43 -0.244 17.429 -1.904 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 0.683 15.804 -3.711 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 0.595 17.472 -4.013 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 2.077 16.764 -3.581 1.00 63.23 H new ATOM 658 N ILE A 44 3.919 22.388 0.262 1.00 50.11 N ATOM 659 CA ILE A 44 5.180 22.319 0.989 1.00 75.21 C ATOM 660 C ILE A 44 5.175 21.168 1.990 1.00 20.24 C ATOM 661 O ILE A 44 4.235 20.992 2.764 1.00 14.21 O ATOM 662 CB ILE A 44 5.472 23.634 1.736 1.00 5.22 C ATOM 663 CG1 ILE A 44 6.011 24.688 0.767 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.461 23.392 2.867 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.564 26.095 1.096 1.00 74.32 C ATOM 0 H ILE A 44 3.352 23.207 0.479 1.00 50.11 H new ATOM 0 HA ILE A 44 5.962 22.150 0.249 1.00 75.21 H new ATOM 0 HB ILE A 44 4.541 24.005 2.166 1.00 5.22 H new ATOM 0 HG12 ILE A 44 7.100 24.651 0.772 1.00 22.10 H new ATOM 0 HG13 ILE A 44 5.688 24.440 -0.244 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.657 24.330 3.386 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.042 22.671 3.569 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.393 23.001 2.458 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.983 26.790 0.368 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.476 26.148 1.063 1.00 74.32 H new ATOM 0 HD13 ILE A 44 5.910 26.363 2.094 1.00 74.32 H new ATOM 677 N PRO A 45 6.250 20.368 1.976 1.00 42.30 N ATOM 678 CA PRO A 45 6.395 19.222 2.879 1.00 74.53 C ATOM 679 C PRO A 45 6.608 19.648 4.328 1.00 40.33 C ATOM 680 O PRO A 45 7.361 20.582 4.607 1.00 40.12 O ATOM 681 CB PRO A 45 7.638 18.504 2.345 1.00 11.42 C ATOM 682 CG PRO A 45 8.421 19.567 1.654 1.00 55.22 C ATOM 683 CD PRO A 45 7.410 20.521 1.081 1.00 3.34 C ATOM 0 HA PRO A 45 5.500 18.600 2.894 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.212 18.052 3.154 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.368 17.702 1.658 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.087 20.076 2.351 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.046 19.143 0.868 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.782 21.546 1.077 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.159 20.269 0.051 1.00 3.34 H new ATOM 691 N LEU A 46 5.941 18.957 5.247 1.00 54.51 N ATOM 692 CA LEU A 46 6.058 19.264 6.668 1.00 11.22 C ATOM 693 C LEU A 46 7.253 18.543 7.284 1.00 63.13 C ATOM 694 O LEU A 46 7.226 17.327 7.474 1.00 34.03 O ATOM 695 CB LEU A 46 4.775 18.868 7.401 1.00 1.32 C ATOM 696 CG LEU A 46 4.028 20.002 8.106 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.364 20.917 7.089 1.00 13.04 C ATOM 698 CD2 LEU A 46 2.997 19.440 9.074 1.00 1.43 C ATOM 0 H LEU A 46 5.314 18.181 5.033 1.00 54.51 H new ATOM 0 HA LEU A 46 6.213 20.338 6.772 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.098 18.405 6.683 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.023 18.108 8.141 1.00 1.32 H new ATOM 0 HG LEU A 46 4.750 20.588 8.675 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.838 21.717 7.609 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.123 21.347 6.436 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.654 20.344 6.492 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.475 20.260 9.567 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.279 18.830 8.527 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.498 18.827 9.823 1.00 1.43 H new ATOM 710 N ILE A 47 8.298 19.302 7.597 1.00 41.44 N ATOM 711 CA ILE A 47 9.501 18.736 8.195 1.00 1.41 C ATOM 712 C ILE A 47 9.160 17.885 9.414 1.00 65.02 C ATOM 713 O ILE A 47 8.656 18.391 10.418 1.00 61.11 O ATOM 714 CB ILE A 47 10.493 19.836 8.613 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.850 20.715 7.411 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.747 19.219 9.214 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.446 19.944 6.254 1.00 52.21 C ATOM 0 H ILE A 47 8.336 20.310 7.446 1.00 41.44 H new ATOM 0 HA ILE A 47 9.966 18.109 7.435 1.00 1.41 H new ATOM 0 HB ILE A 47 10.020 20.461 9.370 1.00 11.35 H new ATOM 0 HG12 ILE A 47 9.953 21.231 7.069 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.557 21.481 7.729 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.438 20.010 9.504 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.479 18.631 10.092 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.224 18.573 8.477 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.674 20.630 5.438 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.361 19.450 6.579 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.732 19.196 5.909 1.00 52.21 H new ATOM 729 N LYS A 48 9.440 16.590 9.322 1.00 55.44 N ATOM 730 CA LYS A 48 9.167 15.667 10.418 1.00 2.01 C ATOM 731 C LYS A 48 10.234 15.779 11.502 1.00 4.04 C ATOM 732 O LYS A 48 11.427 15.643 11.228 1.00 74.51 O ATOM 733 CB LYS A 48 9.103 14.229 9.896 1.00 32.12 C ATOM 734 CG LYS A 48 8.547 13.241 10.907 1.00 21.33 C ATOM 735 CD LYS A 48 8.397 11.854 10.306 1.00 65.24 C ATOM 736 CE LYS A 48 9.742 11.282 9.881 1.00 55.25 C ATOM 737 NZ LYS A 48 10.005 9.957 10.507 1.00 34.55 N1+ ATOM 0 H LYS A 48 9.856 16.155 8.499 1.00 55.44 H new ATOM 0 HA LYS A 48 8.204 15.933 10.853 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.485 14.204 8.998 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.104 13.912 9.603 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.208 13.194 11.773 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.578 13.591 11.264 1.00 21.33 H new ATOM 0 HD2 LYS A 48 7.931 11.189 11.034 1.00 65.24 H new ATOM 0 HD3 LYS A 48 7.731 11.900 9.444 1.00 65.24 H new ATOM 0 HE2 LYS A 48 9.767 11.182 8.796 1.00 55.25 H new ATOM 0 HE3 LYS A 48 10.535 11.977 10.156 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 10.930 9.602 10.192 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 10.006 10.056 11.542 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.262 9.286 10.224 1.00 34.55 H new ATOM 751 N SER A 49 9.798 16.027 12.732 1.00 14.13 N ATOM 752 CA SER A 49 10.715 16.159 13.857 1.00 33.35 C ATOM 753 C SER A 49 10.786 14.862 14.656 1.00 3.20 C ATOM 754 O SER A 49 10.173 13.859 14.289 1.00 64.42 O ATOM 755 CB SER A 49 10.278 17.309 14.767 1.00 31.23 C ATOM 756 OG SER A 49 11.370 17.806 15.521 1.00 51.25 O ATOM 0 H SER A 49 8.814 16.141 12.975 1.00 14.13 H new ATOM 0 HA SER A 49 11.707 16.376 13.461 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.852 18.112 14.165 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.493 16.966 15.441 1.00 31.23 H new ATOM 0 HG SER A 49 11.065 18.541 16.093 1.00 51.25 H new ATOM 762 N HIS A 50 11.540 14.889 15.751 1.00 0.54 N ATOM 763 CA HIS A 50 11.691 13.715 16.604 1.00 22.21 C ATOM 764 C HIS A 50 10.421 13.463 17.410 1.00 65.22 C ATOM 765 O HIS A 50 10.170 12.344 17.856 1.00 14.41 O ATOM 766 CB HIS A 50 12.880 13.895 17.548 1.00 63.12 C ATOM 767 CG HIS A 50 14.209 13.740 16.873 1.00 21.12 C ATOM 768 ND1 HIS A 50 14.491 14.277 15.636 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.336 13.105 17.272 1.00 30.03 C ATOM 770 CE1 HIS A 50 15.734 13.978 15.300 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.268 13.267 16.277 1.00 44.14 N ATOM 0 H HIS A 50 12.055 15.710 16.068 1.00 0.54 H new ATOM 0 HA HIS A 50 11.872 12.851 15.964 1.00 22.21 H new ATOM 0 HB2 HIS A 50 12.826 14.884 18.003 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.805 13.168 18.356 1.00 63.12 H new ATOM 0 HD2 HIS A 50 15.476 12.571 18.200 1.00 30.03 H new ATOM 0 HE1 HIS A 50 16.228 14.266 14.384 1.00 63.42 H new ATOM 0 HE2 HIS A 50 17.219 12.898 16.290 1.00 44.14 H new ATOM 779 N ASN A 51 9.624 14.510 17.594 1.00 43.20 N ATOM 780 CA ASN A 51 8.379 14.401 18.348 1.00 41.32 C ATOM 781 C ASN A 51 7.178 14.348 17.409 1.00 42.34 C ATOM 782 O ASN A 51 6.363 13.428 17.479 1.00 61.52 O ATOM 783 CB ASN A 51 8.238 15.581 19.311 1.00 24.42 C ATOM 784 CG ASN A 51 8.606 16.903 18.665 1.00 75.52 C ATOM 785 OD1 ASN A 51 7.740 17.631 18.179 1.00 63.21 O ATOM 786 ND2 ASN A 51 9.896 17.218 18.655 1.00 63.41 N ATOM 0 H ASN A 51 9.817 15.444 17.232 1.00 43.20 H new ATOM 0 HA ASN A 51 8.409 13.475 18.922 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.211 15.630 19.673 1.00 24.42 H new ATOM 0 HB3 ASN A 51 8.875 15.415 20.180 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.204 18.094 18.233 1.00 63.41 H new ATOM 0 HD22 ASN A 51 10.579 16.584 19.070 1.00 63.41 H new ATOM 793 N ASP A 52 7.074 15.341 16.534 1.00 25.42 N ATOM 794 CA ASP A 52 5.973 15.408 15.580 1.00 63.14 C ATOM 795 C ASP A 52 6.378 16.194 14.336 1.00 70.31 C ATOM 796 O ASP A 52 7.535 16.587 14.188 1.00 74.35 O ATOM 797 CB ASP A 52 4.747 16.052 16.228 1.00 51.42 C ATOM 798 CG ASP A 52 4.372 15.393 17.541 1.00 61.33 C ATOM 799 OD1 ASP A 52 3.780 14.294 17.504 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.670 15.975 18.605 1.00 34.01 O ATOM 0 H ASP A 52 7.739 16.111 16.465 1.00 25.42 H new ATOM 0 HA ASP A 52 5.723 14.390 15.280 1.00 63.14 H new ATOM 0 HB2 ASP A 52 4.944 17.110 16.399 1.00 51.42 H new ATOM 0 HB3 ASP A 52 3.903 15.992 15.541 1.00 51.42 H new ATOM 805 N PHE A 53 5.418 16.418 13.446 1.00 51.12 N ATOM 806 CA PHE A 53 5.675 17.153 12.213 1.00 12.33 C ATOM 807 C PHE A 53 5.634 18.659 12.461 1.00 22.10 C ATOM 808 O PHE A 53 4.874 19.141 13.300 1.00 32.20 O ATOM 809 CB PHE A 53 4.649 16.773 11.143 1.00 64.40 C ATOM 810 CG PHE A 53 4.816 15.375 10.622 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.753 15.096 9.640 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.037 14.340 11.114 1.00 54.43 C ATOM 813 CE1 PHE A 53 5.910 13.809 9.158 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.190 13.053 10.636 1.00 14.33 C ATOM 815 CZ PHE A 53 5.127 12.787 9.657 1.00 53.35 C ATOM 0 H PHE A 53 4.455 16.101 13.555 1.00 51.12 H new ATOM 0 HA PHE A 53 6.671 16.886 11.861 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.647 16.880 11.558 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.727 17.474 10.312 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.368 15.892 9.247 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.302 14.542 11.879 1.00 54.43 H new ATOM 0 HE1 PHE A 53 6.644 13.604 8.393 1.00 21.11 H new ATOM 0 HE2 PHE A 53 3.577 12.255 11.028 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.247 11.781 9.282 1.00 53.35 H new ATOM 825 N VAL A 54 6.459 19.396 11.724 1.00 33.42 N ATOM 826 CA VAL A 54 6.519 20.847 11.863 1.00 40.41 C ATOM 827 C VAL A 54 6.961 21.505 10.561 1.00 3.45 C ATOM 828 O VAL A 54 7.799 20.970 9.837 1.00 74.24 O ATOM 829 CB VAL A 54 7.482 21.264 12.990 1.00 62.34 C ATOM 830 CG1 VAL A 54 6.884 20.941 14.351 1.00 24.21 C ATOM 831 CG2 VAL A 54 8.831 20.583 12.816 1.00 4.44 C ATOM 0 H VAL A 54 7.095 19.013 11.025 1.00 33.42 H new ATOM 0 HA VAL A 54 5.513 21.183 12.113 1.00 40.41 H new ATOM 0 HB VAL A 54 7.634 22.342 12.934 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.579 21.243 15.135 1.00 24.21 H new ATOM 0 HG12 VAL A 54 5.944 21.479 14.472 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.700 19.869 14.422 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.499 20.889 13.621 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.699 19.501 12.845 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.263 20.870 11.857 1.00 4.44 H new ATOM 841 N ALA A 55 6.392 22.670 10.270 1.00 33.42 N ATOM 842 CA ALA A 55 6.729 23.404 9.057 1.00 64.34 C ATOM 843 C ALA A 55 6.734 24.908 9.308 1.00 43.12 C ATOM 844 O ALA A 55 5.815 25.446 9.927 1.00 20.33 O ATOM 845 CB ALA A 55 5.754 23.056 7.942 1.00 75.11 C ATOM 0 H ALA A 55 5.695 23.126 10.859 1.00 33.42 H new ATOM 0 HA ALA A 55 7.733 23.110 8.752 1.00 64.34 H new ATOM 0 HB1 ALA A 55 6.017 23.611 7.042 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.803 21.987 7.736 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.742 23.320 8.248 1.00 75.11 H new ATOM 851 N ILE A 56 7.773 25.580 8.824 1.00 4.32 N ATOM 852 CA ILE A 56 7.896 27.022 8.997 1.00 62.15 C ATOM 853 C ILE A 56 7.644 27.757 7.684 1.00 1.24 C ATOM 854 O ILE A 56 8.424 27.643 6.737 1.00 41.11 O ATOM 855 CB ILE A 56 9.289 27.409 9.529 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.586 26.663 10.831 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.376 28.913 9.742 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.322 25.357 10.625 1.00 22.53 C ATOM 0 H ILE A 56 8.541 25.149 8.309 1.00 4.32 H new ATOM 0 HA ILE A 56 7.142 27.317 9.727 1.00 62.15 H new ATOM 0 HB ILE A 56 10.037 27.123 8.789 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.179 27.306 11.482 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.648 26.464 11.349 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.366 29.171 10.118 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.203 29.425 8.796 1.00 20.32 H new ATOM 0 HG23 ILE A 56 8.621 29.222 10.465 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.499 24.883 11.590 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.722 24.696 10.000 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.277 25.551 10.136 1.00 22.53 H new ATOM 870 N LEU A 57 6.552 28.510 7.634 1.00 53.34 N ATOM 871 CA LEU A 57 6.197 29.266 6.438 1.00 41.32 C ATOM 872 C LEU A 57 6.664 30.714 6.550 1.00 4.44 C ATOM 873 O LEU A 57 6.943 31.204 7.644 1.00 25.01 O ATOM 874 CB LEU A 57 4.684 29.222 6.213 1.00 22.14 C ATOM 875 CG LEU A 57 4.054 27.830 6.159 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.575 27.900 6.509 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.249 27.208 4.784 1.00 54.43 C ATOM 0 H LEU A 57 5.896 28.614 8.408 1.00 53.34 H new ATOM 0 HA LEU A 57 6.698 28.807 5.586 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.202 29.787 7.011 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.461 29.737 5.278 1.00 22.14 H new ATOM 0 HG LEU A 57 4.552 27.199 6.895 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.143 26.900 6.465 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.458 28.302 7.515 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.063 28.548 5.797 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.794 26.218 4.765 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.778 27.838 4.029 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.315 27.122 4.571 1.00 54.43 H new ATOM 889 N ASP A 58 6.745 31.392 5.411 1.00 22.22 N ATOM 890 CA ASP A 58 7.176 32.786 5.381 1.00 23.10 C ATOM 891 C ASP A 58 6.038 33.696 4.928 1.00 53.11 C ATOM 892 O ASP A 58 5.793 33.854 3.731 1.00 71.11 O ATOM 893 CB ASP A 58 8.378 32.951 4.450 1.00 60.34 C ATOM 894 CG ASP A 58 9.543 32.065 4.848 1.00 4.33 C ATOM 895 OD1 ASP A 58 9.474 30.844 4.592 1.00 64.40 O1- ATOM 896 OD2 ASP A 58 10.523 32.592 5.414 1.00 31.41 O ATOM 0 H ASP A 58 6.518 31.000 4.497 1.00 22.22 H new ATOM 0 HA ASP A 58 7.467 33.072 6.392 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.078 32.716 3.429 1.00 60.34 H new ATOM 0 HB3 ASP A 58 8.699 33.993 4.456 1.00 60.34 H new ATOM 901 N LEU A 59 5.345 34.292 5.892 1.00 12.41 N ATOM 902 CA LEU A 59 4.232 35.186 5.594 1.00 61.11 C ATOM 903 C LEU A 59 4.533 36.606 6.064 1.00 53.10 C ATOM 904 O LEU A 59 5.325 36.828 6.979 1.00 43.12 O ATOM 905 CB LEU A 59 2.951 34.678 6.258 1.00 61.24 C ATOM 906 CG LEU A 59 2.856 33.165 6.462 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.629 32.815 7.289 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.820 32.447 5.121 1.00 1.12 C ATOM 0 H LEU A 59 5.534 34.172 6.887 1.00 12.41 H new ATOM 0 HA LEU A 59 4.092 35.202 4.513 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.852 35.163 7.229 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.101 34.997 5.655 1.00 61.24 H new ATOM 0 HG LEU A 59 3.742 32.834 7.005 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.577 31.735 7.424 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.696 33.300 8.263 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.732 33.159 6.774 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.752 31.372 5.286 1.00 1.12 H new ATOM 0 HD22 LEU A 59 1.953 32.782 4.552 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.729 32.672 4.563 1.00 1.12 H new ATOM 920 N PRO A 60 3.884 37.591 5.426 1.00 72.34 N ATOM 921 CA PRO A 60 4.063 39.006 5.764 1.00 43.15 C ATOM 922 C PRO A 60 3.464 39.359 7.121 1.00 50.24 C ATOM 923 O PRO A 60 4.157 39.340 8.138 1.00 44.12 O ATOM 924 CB PRO A 60 3.316 39.736 4.644 1.00 2.43 C ATOM 925 CG PRO A 60 2.299 38.757 4.168 1.00 40.55 C ATOM 926 CD PRO A 60 2.924 37.399 4.326 1.00 50.31 C ATOM 0 HA PRO A 60 5.116 39.276 5.840 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.846 40.649 5.011 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.993 40.027 3.840 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.381 38.834 4.751 1.00 40.55 H new ATOM 0 HG3 PRO A 60 2.033 38.945 3.128 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.180 36.640 4.570 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.421 37.076 3.411 1.00 50.31 H new ATOM 934 N GLU A 61 2.174 39.678 7.129 1.00 62.44 N ATOM 935 CA GLU A 61 1.483 40.034 8.363 1.00 50.50 C ATOM 936 C GLU A 61 -0.007 40.245 8.111 1.00 12.05 C ATOM 937 O GLU A 61 -0.397 41.017 7.236 1.00 32.42 O ATOM 938 CB GLU A 61 2.093 41.301 8.967 1.00 73.34 C ATOM 939 CG GLU A 61 1.903 41.410 10.471 1.00 52.41 C ATOM 940 CD GLU A 61 0.674 42.215 10.845 1.00 72.55 C ATOM 941 OE1 GLU A 61 0.344 43.172 10.115 1.00 35.02 O1- ATOM 942 OE2 GLU A 61 0.041 41.887 11.872 1.00 43.41 O ATOM 0 H GLU A 61 1.586 39.697 6.296 1.00 62.44 H new ATOM 0 HA GLU A 61 1.602 39.210 9.067 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.159 41.324 8.741 1.00 73.34 H new ATOM 0 HB3 GLU A 61 1.647 42.173 8.489 1.00 73.34 H new ATOM 0 HG2 GLU A 61 1.822 40.410 10.897 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.785 41.874 10.913 1.00 52.41 H new ATOM 949 N GLY A 62 -0.837 39.550 8.884 1.00 54.52 N ATOM 950 CA GLY A 62 -2.273 39.674 8.729 1.00 52.00 C ATOM 951 C GLY A 62 -2.993 38.351 8.910 1.00 61.55 C ATOM 952 O GLY A 62 -2.925 37.743 9.977 1.00 51.12 O ATOM 0 H GLY A 62 -0.539 38.904 9.615 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.653 40.393 9.455 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.495 40.073 7.739 1.00 52.00 H new ATOM 956 N GLU A 63 -3.682 37.909 7.863 1.00 53.44 N ATOM 957 CA GLU A 63 -4.419 36.650 7.913 1.00 52.42 C ATOM 958 C GLU A 63 -4.171 35.825 6.654 1.00 71.45 C ATOM 959 O GLU A 63 -4.147 36.386 5.560 1.00 35.41 O ATOM 960 CB GLU A 63 -5.917 36.916 8.076 1.00 13.45 C ATOM 961 CG GLU A 63 -6.785 35.705 7.782 1.00 1.11 C ATOM 962 CD GLU A 63 -8.112 35.746 8.517 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.142 36.256 9.656 1.00 35.44 O ATOM 964 OE2 GLU A 63 -9.117 35.267 7.954 1.00 62.20 O1- ATOM 0 H GLU A 63 -3.746 38.402 6.972 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.063 36.084 8.774 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.109 37.252 9.095 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.207 37.730 7.412 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.970 35.647 6.709 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.246 34.800 8.062 1.00 1.11 H new ATOM 971 N HIS A 64 -3.994 34.523 6.834 1.00 3.13 N ATOM 972 CA HIS A 64 -3.751 33.640 5.707 1.00 20.42 C ATOM 973 C HIS A 64 -4.449 32.298 5.947 1.00 42.53 C ATOM 974 O HIS A 64 -4.611 31.842 7.078 1.00 73.42 O ATOM 975 CB HIS A 64 -2.249 33.489 5.450 1.00 3.20 C ATOM 976 CG HIS A 64 -1.470 34.774 5.595 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.044 35.437 6.709 1.00 32.22 N flip ATOM 978 CD2 HIS A 64 -1.045 35.520 4.509 1.00 2.30 C flip ATOM 979 CE1 HIS A 64 -0.393 36.528 6.324 1.00 4.25 C flip ATOM 980 NE2 HIS A 64 -0.393 36.581 4.961 1.00 51.03 N flip ATOM 0 H HIS A 64 -4.014 34.060 7.743 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.175 34.074 4.801 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.845 32.751 6.142 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.100 33.097 4.444 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.216 35.278 3.470 1.00 2.30 H new ATOM 0 HE1 HIS A 64 0.062 37.254 6.982 1.00 4.25 H new ATOM 0 HE2 HIS A 64 0.034 37.310 4.390 1.00 51.03 H new ATOM 988 N GLN A 65 -4.859 31.676 4.847 1.00 53.30 N ATOM 989 CA GLN A 65 -5.542 30.389 4.909 1.00 30.02 C ATOM 990 C GLN A 65 -4.570 29.243 4.645 1.00 12.33 C ATOM 991 O GLN A 65 -3.546 29.424 3.985 1.00 60.12 O ATOM 992 CB GLN A 65 -6.687 30.345 3.897 1.00 12.55 C ATOM 993 CG GLN A 65 -7.983 30.943 4.417 1.00 10.33 C ATOM 994 CD GLN A 65 -8.575 30.146 5.563 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.936 30.702 6.601 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.678 28.834 5.381 1.00 52.31 N ATOM 0 H GLN A 65 -4.731 32.041 3.903 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.950 30.272 5.913 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.385 30.880 2.997 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.865 29.309 3.608 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.800 31.966 4.747 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.707 30.995 3.604 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.367 28.415 4.505 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.069 28.246 6.117 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.897 28.066 5.164 1.00 44.22 N ATOM 1006 CA TYR A 66 -4.051 26.890 4.987 1.00 44.05 C ATOM 1007 C TYR A 66 -4.791 25.620 5.392 1.00 74.13 C ATOM 1008 O TYR A 66 -5.859 25.677 6.002 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.769 27.031 5.809 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.956 26.730 7.279 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.710 27.568 8.090 1.00 60.42 C ATOM 1012 CD2 TYR A 66 -2.378 25.606 7.857 1.00 33.23 C ATOM 1013 CE1 TYR A 66 -3.882 27.298 9.434 1.00 74.14 C ATOM 1014 CE2 TYR A 66 -2.546 25.326 9.199 1.00 54.24 C ATOM 1015 CZ TYR A 66 -3.300 26.175 9.984 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.470 25.902 11.321 1.00 4.23 O ATOM 0 H TYR A 66 -5.742 27.899 5.711 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.792 26.816 3.931 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -2.011 26.361 5.403 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.387 28.046 5.700 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.170 28.447 7.662 1.00 60.42 H new ATOM 0 HD2 TYR A 66 -1.787 24.940 7.246 1.00 33.23 H new ATOM 0 HE1 TYR A 66 -4.469 27.963 10.051 1.00 74.14 H new ATOM 0 HE2 TYR A 66 -2.090 24.448 9.632 1.00 54.24 H new ATOM 0 HH TYR A 66 -2.997 25.075 11.549 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.217 24.473 5.049 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.818 23.186 5.376 1.00 53.24 C ATOM 1028 C LYS A 67 -3.746 22.119 5.576 1.00 15.33 C ATOM 1029 O LYS A 67 -2.566 22.355 5.318 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.782 22.754 4.269 1.00 51.31 C ATOM 1031 CG LYS A 67 -5.136 21.886 3.203 1.00 50.42 C ATOM 1032 CD LYS A 67 -3.998 22.614 2.506 1.00 54.14 C ATOM 1033 CE LYS A 67 -3.292 21.714 1.504 1.00 21.22 C ATOM 1034 NZ LYS A 67 -2.040 21.136 2.065 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.334 24.408 4.543 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.372 23.299 6.308 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.613 22.208 4.715 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -6.201 23.643 3.797 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -4.759 20.970 3.658 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -5.886 21.592 2.468 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -4.387 23.495 1.995 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -3.282 22.967 3.248 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -3.962 20.908 1.205 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -3.058 22.284 0.605 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -1.880 20.192 1.658 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -1.237 21.754 1.831 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -2.127 21.057 3.098 1.00 73.50 H new ATOM 1048 N PHE A 68 -4.165 20.944 6.035 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.241 19.841 6.269 1.00 43.24 C ATOM 1050 C PHE A 68 -3.489 18.704 5.280 1.00 51.11 C ATOM 1051 O PHE A 68 -4.634 18.385 4.959 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.382 19.325 7.702 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.685 20.183 8.719 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.326 20.433 8.621 1.00 14.15 C ATOM 1055 CD2 PHE A 68 -3.390 20.741 9.773 1.00 41.10 C ATOM 1056 CE1 PHE A 68 -0.682 21.222 9.555 1.00 73.42 C ATOM 1057 CE2 PHE A 68 -2.752 21.532 10.710 1.00 25.24 C ATOM 1058 CZ PHE A 68 -1.396 21.772 10.602 1.00 11.45 C ATOM 0 H PHE A 68 -5.139 20.732 6.252 1.00 0.43 H new ATOM 0 HA PHE A 68 -2.227 20.212 6.122 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.440 19.263 7.955 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.981 18.313 7.756 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.763 20.006 7.804 1.00 14.15 H new ATOM 0 HD2 PHE A 68 -4.450 20.556 9.864 1.00 41.10 H new ATOM 0 HE1 PHE A 68 0.378 21.408 9.467 1.00 73.42 H new ATOM 0 HE2 PHE A 68 -3.313 21.962 11.526 1.00 25.24 H new ATOM 0 HZ PHE A 68 -0.895 22.388 11.334 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.409 18.099 4.802 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.507 16.999 3.848 1.00 72.31 C ATOM 1070 C PHE A 69 -1.720 15.785 4.335 1.00 34.23 C ATOM 1071 O PHE A 69 -0.491 15.764 4.273 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.994 17.438 2.476 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.669 16.738 1.331 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -4.051 16.731 1.225 1.00 34.50 C ATOM 1075 CD2 PHE A 69 -1.923 16.089 0.362 1.00 61.42 C ATOM 1076 CE1 PHE A 69 -4.675 16.086 0.174 1.00 50.31 C ATOM 1077 CE2 PHE A 69 -2.542 15.443 -0.693 1.00 54.41 C ATOM 1078 CZ PHE A 69 -3.920 15.443 -0.788 1.00 73.11 C ATOM 0 H PHE A 69 -1.454 18.351 5.059 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.557 16.718 3.762 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -2.139 18.513 2.370 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.921 17.254 2.422 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.647 17.235 1.972 1.00 34.50 H new ATOM 0 HD2 PHE A 69 -0.845 16.087 0.431 1.00 61.42 H new ATOM 0 HE1 PHE A 69 -5.753 16.085 0.105 1.00 50.31 H new ATOM 0 HE2 PHE A 69 -1.949 14.939 -1.442 1.00 54.41 H new ATOM 0 HZ PHE A 69 -4.406 14.942 -1.612 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.438 14.777 4.818 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.809 13.559 5.315 1.00 12.31 C ATOM 1090 C VAL A 70 -2.332 12.330 4.579 1.00 74.44 C ATOM 1091 O VAL A 70 -3.539 12.165 4.407 1.00 2.54 O ATOM 1092 CB VAL A 70 -2.047 13.380 6.826 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.266 12.185 7.351 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.669 14.646 7.579 1.00 33.01 C ATOM 0 H VAL A 70 -3.456 14.779 4.876 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.739 13.659 5.133 1.00 12.31 H new ATOM 0 HB VAL A 70 -3.108 13.191 6.989 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.446 12.074 8.420 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.590 11.282 6.833 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.201 12.341 7.177 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.844 14.501 8.645 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.615 14.868 7.411 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.277 15.477 7.221 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.415 11.472 4.148 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.783 10.256 3.432 1.00 43.14 C ATOM 1106 C ASP A 71 -2.709 10.574 2.260 1.00 50.35 C ATOM 1107 O ASP A 71 -3.657 9.839 1.989 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.462 9.266 4.379 1.00 2.43 C ATOM 1109 CG ASP A 71 -2.201 7.823 3.993 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -1.527 7.595 2.966 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -2.669 6.920 4.718 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.411 11.596 4.282 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.871 9.805 3.040 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -2.106 9.437 5.395 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -3.536 9.449 4.382 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.426 11.676 1.573 1.00 50.22 N ATOM 1117 CA GLY A 72 -3.244 12.072 0.440 1.00 61.42 C ATOM 1118 C GLY A 72 -4.676 12.373 0.836 1.00 44.45 C ATOM 1119 O GLY A 72 -5.592 12.222 0.029 1.00 1.33 O ATOM 0 H GLY A 72 -1.647 12.301 1.779 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.807 12.954 -0.029 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -3.236 11.277 -0.306 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.867 12.798 2.081 1.00 51.05 N ATOM 1124 CA GLN A 73 -6.199 13.117 2.581 1.00 43.53 C ATOM 1125 C GLN A 73 -6.201 14.459 3.306 1.00 15.15 C ATOM 1126 O GLN A 73 -5.189 14.871 3.871 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.691 12.016 3.521 1.00 0.22 C ATOM 1128 CG GLN A 73 -7.435 10.896 2.812 1.00 40.22 C ATOM 1129 CD GLN A 73 -8.493 10.252 3.685 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -9.649 10.117 3.282 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -8.104 9.852 4.890 1.00 65.41 N ATOM 0 H GLN A 73 -4.118 12.929 2.761 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.874 13.184 1.727 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.837 11.594 4.051 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.346 12.457 4.272 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.904 11.291 1.911 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.721 10.136 2.493 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -7.136 9.983 5.183 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -8.773 9.413 5.522 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.344 15.136 3.284 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.476 16.432 3.938 1.00 50.15 C ATOM 1142 C TRP A 74 -7.949 16.269 5.379 1.00 34.22 C ATOM 1143 O TRP A 74 -8.912 15.551 5.648 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.454 17.319 3.165 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.207 17.327 1.687 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.599 16.380 0.785 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.511 18.330 0.940 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.189 16.732 -0.477 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.520 17.926 -0.410 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -6.882 19.531 1.279 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -6.924 18.681 -1.417 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -6.291 20.280 0.278 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -6.316 19.852 -1.056 1.00 51.10 C ATOM 0 H TRP A 74 -8.192 14.809 2.821 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.495 16.907 3.949 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.471 16.977 3.354 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.385 18.339 3.543 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.151 15.484 1.029 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.355 16.192 -1.326 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.858 19.868 2.305 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -6.941 18.354 -2.446 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.802 21.210 0.528 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.845 20.459 -1.815 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.266 16.939 6.301 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.617 16.869 7.714 1.00 44.01 C ATOM 1166 C VAL A 75 -7.471 18.230 8.385 1.00 31.52 C ATOM 1167 O VAL A 75 -6.996 19.187 7.774 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.741 15.845 8.460 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -7.010 14.438 7.947 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.269 16.200 8.319 1.00 31.10 C ATOM 0 H VAL A 75 -6.466 17.537 6.095 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.658 16.551 7.766 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.999 15.876 9.519 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.382 13.728 8.486 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.059 14.187 8.105 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.782 14.389 6.882 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.665 15.466 8.852 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.994 16.199 7.264 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -5.092 17.190 8.739 1.00 31.10 H new ATOM 1180 N HIS A 76 -7.883 18.309 9.646 1.00 63.01 N ATOM 1181 CA HIS A 76 -7.797 19.554 10.402 1.00 74.30 C ATOM 1182 C HIS A 76 -7.363 19.287 11.840 1.00 62.21 C ATOM 1183 O HIS A 76 -7.556 18.190 12.364 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.144 20.277 10.390 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.157 19.673 11.313 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.458 19.954 12.603 1.00 13.43 N flip ATOM 1187 CD2 HIS A 76 -11.001 18.648 10.938 1.00 41.33 C flip ATOM 1188 CE1 HIS A 76 -11.468 19.103 12.979 1.00 11.05 C flip ATOM 1189 NE2 HIS A 76 -11.778 18.327 11.957 1.00 32.15 N flip ATOM 0 H HIS A 76 -8.280 17.526 10.166 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.049 20.188 9.926 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -8.989 21.320 10.666 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.541 20.271 9.375 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -11.023 18.181 9.964 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -11.933 19.073 13.953 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -12.496 17.602 11.955 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.776 20.297 12.473 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.315 20.173 13.850 1.00 33.21 C ATOM 1199 C ASP A 77 -7.312 20.805 14.817 1.00 70.34 C ATOM 1200 O ASP A 77 -7.727 21.952 14.656 1.00 64.41 O ATOM 1201 CB ASP A 77 -4.942 20.828 14.013 1.00 62.43 C ATOM 1202 CG ASP A 77 -4.108 20.165 15.092 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -3.981 18.923 15.063 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -3.583 20.888 15.964 1.00 41.33 O ATOM 0 H ASP A 77 -6.608 21.211 12.053 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.232 19.112 14.084 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.406 20.783 13.065 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.072 21.883 14.255 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.707 20.038 15.845 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.660 20.503 16.857 1.00 45.12 C ATOM 1211 C PRO A 78 -8.069 21.580 17.760 1.00 52.21 C ATOM 1212 O PRO A 78 -8.799 22.319 18.420 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.965 19.238 17.663 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.764 18.375 17.484 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.252 18.661 16.099 1.00 33.02 C ATOM 0 HA PRO A 78 -9.540 20.962 16.407 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -9.133 19.470 18.715 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.865 18.744 17.298 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -7.006 18.600 18.234 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -8.020 17.321 17.596 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -6.166 18.581 16.047 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.659 17.962 15.368 1.00 33.02 H new ATOM 1223 N SER A 79 -6.742 21.664 17.781 1.00 35.34 N ATOM 1224 CA SER A 79 -6.053 22.651 18.607 1.00 5.14 C ATOM 1225 C SER A 79 -6.051 24.018 17.931 1.00 2.34 C ATOM 1226 O SER A 79 -6.005 25.051 18.597 1.00 53.41 O ATOM 1227 CB SER A 79 -4.616 22.202 18.880 1.00 42.01 C ATOM 1228 OG SER A 79 -4.542 21.420 20.059 1.00 3.14 O ATOM 0 H SER A 79 -6.123 21.062 17.237 1.00 35.34 H new ATOM 0 HA SER A 79 -6.587 22.734 19.554 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.245 21.625 18.033 1.00 42.01 H new ATOM 0 HB3 SER A 79 -3.971 23.075 18.978 1.00 42.01 H new ATOM 0 HG SER A 79 -3.614 21.144 20.211 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.101 24.015 16.602 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.103 25.254 15.835 1.00 31.11 C ATOM 1236 C GLU A 80 -7.496 25.551 15.286 1.00 4.43 C ATOM 1237 O GLU A 80 -8.350 24.672 15.180 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.098 25.172 14.685 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.692 25.595 15.075 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.644 26.993 15.662 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.518 27.960 14.883 1.00 54.30 O1- ATOM 1242 OE2 GLU A 80 -3.733 27.118 16.902 1.00 23.05 O ATOM 0 H GLU A 80 -6.141 23.168 16.035 1.00 34.21 H new ATOM 0 HA GLU A 80 -5.813 26.064 16.504 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.070 24.149 14.310 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.444 25.802 13.866 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.292 24.887 15.800 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.047 25.551 14.197 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.732 26.822 14.928 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.020 27.267 14.384 1.00 12.23 C ATOM 1251 C PRO A 81 -9.275 26.722 12.983 1.00 54.22 C ATOM 1252 O PRO A 81 -8.396 26.755 12.123 1.00 51.34 O ATOM 1253 CB PRO A 81 -8.883 28.790 14.348 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.417 29.038 14.257 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.760 27.924 15.026 1.00 34.31 C ATOM 0 HA PRO A 81 -9.860 26.916 14.984 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.410 29.214 13.493 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.307 29.247 15.242 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.086 29.044 13.219 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.158 30.009 14.679 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.798 27.650 14.594 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.575 28.206 16.063 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.486 26.219 12.761 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.858 25.669 11.463 1.00 44.45 C ATOM 1265 C VAL A 82 -11.956 26.499 10.808 1.00 64.55 C ATOM 1266 O VAL A 82 -12.818 27.056 11.488 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.339 24.211 11.589 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.300 23.367 12.311 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.679 24.152 12.306 1.00 72.14 C ATOM 0 H VAL A 82 -11.225 26.181 13.463 1.00 52.51 H new ATOM 0 HA VAL A 82 -9.964 25.697 10.840 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.472 23.802 10.587 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.657 22.340 12.391 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.365 23.384 11.751 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.133 23.771 13.309 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.003 23.114 12.386 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.577 24.578 13.304 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.419 24.721 11.743 1.00 72.14 H new ATOM 1279 N VAL A 83 -11.918 26.580 9.482 1.00 50.41 N ATOM 1280 CA VAL A 83 -12.912 27.341 8.733 1.00 1.01 C ATOM 1281 C VAL A 83 -13.743 26.429 7.838 1.00 10.44 C ATOM 1282 O VAL A 83 -13.482 25.229 7.740 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.248 28.428 7.866 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.330 29.298 8.709 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.485 27.795 6.711 1.00 11.55 C ATOM 0 H VAL A 83 -11.210 26.128 8.904 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.564 27.818 9.465 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.029 29.064 7.451 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.871 30.059 8.079 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -11.908 29.780 9.497 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.552 28.679 9.156 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.022 28.577 6.109 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.712 27.134 7.104 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.173 27.220 6.092 1.00 11.55 H new ATOM 1295 N THR A 84 -14.749 27.005 7.186 1.00 44.21 N ATOM 1296 CA THR A 84 -15.620 26.246 6.299 1.00 74.32 C ATOM 1297 C THR A 84 -15.761 26.932 4.946 1.00 53.33 C ATOM 1298 O THR A 84 -16.409 27.972 4.831 1.00 51.12 O ATOM 1299 CB THR A 84 -17.019 26.056 6.914 1.00 3.04 C ATOM 1300 OG1 THR A 84 -16.929 26.040 8.343 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.654 24.762 6.426 1.00 25.03 C ATOM 0 H THR A 84 -14.980 27.996 7.257 1.00 44.21 H new ATOM 0 HA THR A 84 -15.156 25.269 6.161 1.00 74.32 H new ATOM 0 HB THR A 84 -17.646 26.891 6.600 1.00 3.04 H new ATOM 0 HG1 THR A 84 -17.823 25.921 8.726 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.641 24.650 6.874 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.749 24.790 5.341 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.027 23.918 6.714 1.00 25.03 H new ATOM 1309 N SER A 85 -15.151 26.342 3.922 1.00 12.31 N ATOM 1310 CA SER A 85 -15.207 26.899 2.576 1.00 62.15 C ATOM 1311 C SER A 85 -16.632 26.866 2.032 1.00 62.25 C ATOM 1312 O SER A 85 -17.577 26.562 2.758 1.00 25.40 O ATOM 1313 CB SER A 85 -14.274 26.126 1.641 1.00 73.20 C ATOM 1314 OG SER A 85 -13.586 27.003 0.766 1.00 45.01 O ATOM 0 H SER A 85 -14.613 25.479 3.999 1.00 12.31 H new ATOM 0 HA SER A 85 -14.880 27.938 2.626 1.00 62.15 H new ATOM 0 HB2 SER A 85 -13.555 25.557 2.230 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.851 25.407 1.060 1.00 73.20 H new ATOM 0 HG SER A 85 -12.995 26.484 0.181 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.776 27.182 0.749 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.085 27.189 0.107 1.00 2.41 C ATOM 1322 C GLN A 86 -18.432 25.807 -0.437 1.00 50.10 C ATOM 1323 O GLN A 86 -19.487 25.614 -1.043 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.118 28.218 -1.024 1.00 4.33 C ATOM 1325 CG GLN A 86 -18.135 29.658 -0.536 1.00 61.13 C ATOM 1326 CD GLN A 86 -19.508 30.099 -0.068 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -20.074 29.523 0.862 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -20.051 31.126 -0.711 1.00 50.44 N ATOM 0 H GLN A 86 -16.003 27.436 0.134 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.827 27.461 0.857 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.248 28.070 -1.664 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.000 28.041 -1.639 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.423 29.769 0.282 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -17.801 30.314 -1.340 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -19.546 31.573 -1.476 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -20.973 31.468 -0.440 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.538 24.849 -0.219 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.749 23.483 -0.688 1.00 32.15 C ATOM 1339 C LEU A 87 -17.931 22.527 0.486 1.00 71.20 C ATOM 1340 O LEU A 87 -17.730 21.320 0.353 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.570 23.033 -1.551 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.066 24.045 -2.581 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -14.694 23.641 -3.098 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -17.055 24.173 -3.730 1.00 21.21 C ATOM 0 H LEU A 87 -16.660 24.992 0.280 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.658 23.466 -1.289 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -15.742 22.773 -0.892 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -16.857 22.122 -2.077 1.00 52.11 H new ATOM 0 HG LEU A 87 -15.977 25.017 -2.095 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -14.351 24.372 -3.830 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -13.989 23.601 -2.267 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -14.757 22.660 -3.568 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -16.680 24.897 -4.453 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -17.176 23.205 -4.215 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -18.018 24.509 -3.345 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.314 23.073 1.636 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.518 22.254 2.815 1.00 24.33 C ATOM 1358 C GLY A 88 -17.252 21.545 3.254 1.00 1.42 C ATOM 1359 O GLY A 88 -17.309 20.539 3.963 1.00 3.52 O ATOM 0 H GLY A 88 -18.487 24.069 1.772 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.882 22.880 3.630 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.293 21.515 2.611 1.00 24.33 H new ATOM 1363 N THR A 89 -16.106 22.069 2.833 1.00 71.55 N ATOM 1364 CA THR A 89 -14.820 21.478 3.185 1.00 55.20 C ATOM 1365 C THR A 89 -14.174 22.220 4.349 1.00 10.24 C ATOM 1366 O THR A 89 -14.085 23.448 4.341 1.00 41.43 O ATOM 1367 CB THR A 89 -13.852 21.483 1.986 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.403 22.818 1.727 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.526 20.919 0.744 1.00 71.24 C ATOM 0 H THR A 89 -16.041 22.902 2.248 1.00 71.55 H new ATOM 0 HA THR A 89 -15.016 20.447 3.479 1.00 55.20 H new ATOM 0 HB THR A 89 -12.997 20.853 2.233 1.00 22.31 H new ATOM 0 HG1 THR A 89 -13.607 23.387 2.498 1.00 42.53 H new ATOM 0 HG21 THR A 89 -13.823 20.933 -0.089 1.00 71.24 H new ATOM 0 HG22 THR A 89 -14.842 19.894 0.935 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.396 21.526 0.495 1.00 71.24 H new ATOM 1377 N ILE A 90 -13.725 21.467 5.348 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.086 22.055 6.518 1.00 62.33 C ATOM 1379 C ILE A 90 -11.648 22.462 6.213 1.00 55.32 C ATOM 1380 O ILE A 90 -10.893 21.703 5.608 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.089 21.081 7.711 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.516 20.618 8.015 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.468 21.738 8.934 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.431 21.735 8.464 1.00 10.43 C ATOM 0 H ILE A 90 -13.792 20.449 5.370 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.664 22.941 6.781 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.491 20.208 7.450 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -14.936 20.152 7.124 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.483 19.852 8.790 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.478 21.037 9.768 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.440 22.023 8.711 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.041 22.626 9.200 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.425 21.334 8.662 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.035 22.187 9.373 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.494 22.491 7.681 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.276 23.665 6.638 1.00 75.15 N ATOM 1397 CA ASN A 91 -9.928 24.172 6.411 1.00 52.40 C ATOM 1398 C ASN A 91 -9.352 24.777 7.688 1.00 14.34 C ATOM 1399 O ASN A 91 -9.996 24.769 8.737 1.00 44.21 O ATOM 1400 CB ASN A 91 -9.936 25.221 5.297 1.00 44.32 C ATOM 1401 CG ASN A 91 -9.650 24.618 3.935 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -9.570 23.398 3.787 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.494 25.473 2.930 1.00 51.12 N ATOM 0 H ASN A 91 -11.889 24.306 7.141 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.298 23.335 6.109 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -10.906 25.717 5.275 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.191 25.986 5.516 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.300 25.126 1.991 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.569 26.476 3.098 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.135 25.301 7.592 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.471 25.910 8.739 1.00 25.44 C ATOM 1412 C ASN A 92 -7.123 27.367 8.455 1.00 42.41 C ATOM 1413 O ASN A 92 -6.724 27.717 7.344 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.204 25.131 9.094 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.414 23.629 9.045 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.575 22.890 8.531 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.540 23.173 9.580 1.00 64.12 N ATOM 0 H ASN A 92 -7.588 25.316 6.731 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.158 25.877 9.585 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.407 25.406 8.404 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -5.874 25.416 10.093 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -7.738 22.172 9.576 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.207 23.823 9.995 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.275 28.214 9.467 1.00 31.22 N ATOM 1425 CA LEU A 93 -6.976 29.635 9.329 1.00 13.40 C ATOM 1426 C LEU A 93 -5.830 30.044 10.249 1.00 33.45 C ATOM 1427 O LEU A 93 -5.869 29.792 11.453 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.218 30.472 9.642 1.00 61.04 C ATOM 1429 CG LEU A 93 -8.004 31.982 9.741 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.349 32.512 8.474 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.324 32.693 9.998 1.00 44.50 C ATOM 0 H LEU A 93 -7.604 27.941 10.393 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.673 29.817 8.298 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -8.964 30.281 8.870 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.638 30.123 10.585 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.338 32.181 10.581 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.204 33.589 8.562 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.383 32.026 8.333 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -7.990 32.301 7.618 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.152 33.767 10.065 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.014 32.487 9.179 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.754 32.335 10.934 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.813 30.675 9.672 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.656 31.120 10.441 1.00 23.02 C ATOM 1445 C ILE A 94 -3.488 32.633 10.353 1.00 33.42 C ATOM 1446 O ILE A 94 -3.595 33.219 9.275 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.362 30.441 9.956 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.163 30.943 10.763 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.153 30.700 8.471 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.192 29.848 11.146 1.00 55.11 C ATOM 0 H ILE A 94 -4.766 30.890 8.676 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.837 30.836 11.478 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.454 29.366 10.109 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.635 31.699 10.182 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.523 31.431 11.669 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.234 30.214 8.143 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -2.997 30.299 7.909 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.078 31.773 8.296 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.633 30.276 11.716 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.705 29.103 11.754 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.197 29.375 10.244 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.222 33.260 11.494 1.00 31.02 N ATOM 1463 CA HIS A 95 -3.035 34.707 11.545 1.00 3.12 C ATOM 1464 C HIS A 95 -1.580 35.056 11.840 1.00 23.15 C ATOM 1465 O HIS A 95 -0.915 34.381 12.626 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.946 35.321 12.609 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.400 35.042 12.386 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.379 35.388 13.294 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -6.039 34.449 11.352 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.558 35.017 12.827 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.380 34.446 11.649 1.00 25.13 N ATOM 0 H HIS A 95 -3.131 32.791 12.395 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.298 35.119 10.571 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.657 34.938 13.588 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.791 36.400 12.630 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.218 35.857 14.186 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.580 34.052 10.459 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.507 35.157 13.324 1.00 35.13 H new ATOM 1479 N VAL A 96 -1.090 36.115 11.205 1.00 71.41 N ATOM 1480 CA VAL A 96 0.287 36.555 11.399 1.00 30.12 C ATOM 1481 C VAL A 96 0.337 37.939 12.036 1.00 32.13 C ATOM 1482 O VAL A 96 -0.442 38.826 11.685 1.00 62.43 O ATOM 1483 CB VAL A 96 1.059 36.588 10.067 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.475 37.099 10.282 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.073 35.208 9.425 1.00 60.41 C ATOM 0 H VAL A 96 -1.626 36.685 10.551 1.00 71.41 H new ATOM 0 HA VAL A 96 0.758 35.833 12.066 1.00 30.12 H new ATOM 0 HB VAL A 96 0.550 37.274 9.390 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.005 37.115 9.329 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.439 38.107 10.694 1.00 62.50 H new ATOM 0 HG13 VAL A 96 2.998 36.441 10.977 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.623 35.250 8.485 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.557 34.499 10.097 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.050 34.886 9.233 1.00 60.41 H new ATOM 1495 N LYS A 97 1.258 38.117 12.977 1.00 13.43 N ATOM 1496 CA LYS A 97 1.412 39.394 13.665 1.00 32.32 C ATOM 1497 C LYS A 97 2.874 39.833 13.676 1.00 33.23 C ATOM 1498 O LYS A 97 3.775 39.022 13.890 1.00 53.25 O ATOM 1499 CB LYS A 97 0.889 39.291 15.099 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.459 38.600 15.206 1.00 24.53 C ATOM 1501 CD LYS A 97 -1.554 39.403 14.523 1.00 41.45 C ATOM 1502 CE LYS A 97 -2.302 40.280 15.514 1.00 62.22 C ATOM 1503 NZ LYS A 97 -3.540 40.857 14.920 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.909 37.393 13.281 1.00 13.43 H new ATOM 0 HA LYS A 97 0.830 40.141 13.126 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.615 38.748 15.704 1.00 23.44 H new ATOM 0 HB3 LYS A 97 0.809 40.293 15.521 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.398 37.610 14.755 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.713 38.457 16.256 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -1.117 40.025 13.742 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -2.254 38.725 14.035 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -2.561 39.693 16.395 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -1.650 41.087 15.849 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -4.021 41.449 15.627 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -3.291 41.438 14.094 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -4.174 40.088 14.623 1.00 53.42 H new ATOM 1517 N LYS A 98 3.101 41.121 13.446 1.00 54.02 N ATOM 1518 CA LYS A 98 4.452 41.669 13.432 1.00 54.22 C ATOM 1519 C LYS A 98 5.091 41.576 14.814 1.00 33.52 C ATOM 1520 O LYS A 98 4.698 42.287 15.739 1.00 54.13 O ATOM 1521 CB LYS A 98 4.430 43.127 12.966 1.00 72.45 C ATOM 1522 CG LYS A 98 5.656 43.529 12.165 1.00 22.24 C ATOM 1523 CD LYS A 98 5.283 44.380 10.963 1.00 61.03 C ATOM 1524 CE LYS A 98 5.216 43.549 9.691 1.00 12.11 C ATOM 1525 NZ LYS A 98 5.252 44.400 8.470 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.367 41.806 13.267 1.00 54.02 H new ATOM 0 HA LYS A 98 5.048 41.080 12.734 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.540 43.292 12.359 1.00 72.45 H new ATOM 0 HB3 LYS A 98 4.347 43.777 13.837 1.00 72.45 H new ATOM 0 HG2 LYS A 98 6.344 44.082 12.804 1.00 22.24 H new ATOM 0 HG3 LYS A 98 6.182 42.635 11.830 1.00 22.24 H new ATOM 0 HD2 LYS A 98 4.319 44.857 11.139 1.00 61.03 H new ATOM 0 HD3 LYS A 98 6.015 45.178 10.839 1.00 61.03 H new ATOM 0 HE2 LYS A 98 6.051 42.849 9.670 1.00 12.11 H new ATOM 0 HE3 LYS A 98 4.302 42.955 9.693 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 5.204 43.796 7.625 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 4.441 45.051 8.477 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 6.136 44.948 8.455 1.00 62.45 H new