USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 640 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 79 THR OG1 : rot -88:sc= 1.17 USER MOD Set 1.2: A 81 THR OG1 : rot 173:sc= 1.04 USER MOD Set 2.1: A 67 TYR OH : rot 102:sc= 2.11 USER MOD Set 2.2: A 98 GLN :FLIP amide:sc= 1.08 F(o=1.8,f=3.2) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.359 K(o=-0.36,f=-2) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.367 K(o=-0.37,f=-4.7!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.5) USER MOD Single : A 45 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.5!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.199 (180deg=-0.421) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -170:sc= -1.51 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 0.308 (180deg=0.266) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.51) USER MOD Single : A 99 THR OG1 : rot -28:sc= 0.389 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0545 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 268 N CYS A 18 -49.909 -7.657 -19.523 1.00 33.12 N ATOM 269 CA CYS A 18 -49.213 -8.892 -19.863 1.00 2.22 C ATOM 270 C CYS A 18 -47.833 -8.936 -19.211 1.00 33.15 C ATOM 271 O CYS A 18 -46.883 -8.331 -19.706 1.00 13.54 O ATOM 272 CB CYS A 18 -49.078 -9.024 -21.380 1.00 73.44 C ATOM 273 SG CYS A 18 -50.487 -9.854 -22.184 1.00 51.34 S ATOM 0 HA CYS A 18 -49.801 -9.728 -19.484 1.00 2.22 H new ATOM 0 HB2 CYS A 18 -48.962 -8.030 -21.811 1.00 73.44 H new ATOM 0 HB3 CYS A 18 -48.167 -9.578 -21.606 1.00 73.44 H new ATOM 279 N SER A 19 -47.734 -9.657 -18.099 1.00 53.04 N ATOM 280 CA SER A 19 -46.472 -9.777 -17.378 1.00 11.34 C ATOM 281 C SER A 19 -45.554 -10.790 -18.055 1.00 62.23 C ATOM 282 O SER A 19 -44.342 -10.591 -18.129 1.00 65.22 O ATOM 283 CB SER A 19 -46.727 -10.192 -15.927 1.00 41.24 C ATOM 284 OG SER A 19 -46.068 -9.322 -15.024 1.00 2.10 O ATOM 0 H SER A 19 -48.511 -10.166 -17.678 1.00 53.04 H new ATOM 0 HA SER A 19 -45.981 -8.804 -17.389 1.00 11.34 H new ATOM 0 HB2 SER A 19 -47.798 -10.185 -15.727 1.00 41.24 H new ATOM 0 HB3 SER A 19 -46.380 -11.213 -15.771 1.00 41.24 H new ATOM 0 HG SER A 19 -46.248 -9.608 -14.104 1.00 2.10 H new ATOM 290 N GLU A 20 -46.142 -11.876 -18.547 1.00 44.52 N ATOM 291 CA GLU A 20 -45.377 -12.921 -19.216 1.00 64.52 C ATOM 292 C GLU A 20 -45.698 -12.959 -20.708 1.00 4.44 C ATOM 293 O GLU A 20 -46.500 -13.776 -21.159 1.00 70.42 O ATOM 294 CB GLU A 20 -45.670 -14.284 -18.585 1.00 35.01 C ATOM 295 CG GLU A 20 -44.976 -14.499 -17.252 1.00 41.52 C ATOM 296 CD GLU A 20 -43.486 -14.738 -17.402 1.00 45.52 C ATOM 297 OE1 GLU A 20 -43.098 -15.543 -18.274 1.00 3.25 O ATOM 298 OE2 GLU A 20 -42.708 -14.118 -16.646 1.00 62.43 O ATOM 0 H GLU A 20 -47.145 -12.055 -18.495 1.00 44.52 H new ATOM 0 HA GLU A 20 -44.318 -12.694 -19.095 1.00 64.52 H new ATOM 0 HB2 GLU A 20 -46.746 -14.386 -18.445 1.00 35.01 H new ATOM 0 HB3 GLU A 20 -45.362 -15.069 -19.276 1.00 35.01 H new ATOM 0 HG2 GLU A 20 -45.138 -13.628 -16.617 1.00 41.52 H new ATOM 0 HG3 GLU A 20 -45.428 -15.351 -16.745 1.00 41.52 H new ATOM 305 N TRP A 21 -45.067 -12.070 -21.466 1.00 14.33 N ATOM 306 CA TRP A 21 -45.286 -12.001 -22.905 1.00 73.41 C ATOM 307 C TRP A 21 -44.743 -13.246 -23.599 1.00 41.43 C ATOM 308 O TRP A 21 -43.585 -13.618 -23.407 1.00 13.42 O ATOM 309 CB TRP A 21 -44.623 -10.749 -23.484 1.00 65.10 C ATOM 310 CG TRP A 21 -45.549 -9.574 -23.575 1.00 45.54 C ATOM 311 CD1 TRP A 21 -45.933 -8.754 -22.553 1.00 5.25 C ATOM 312 CD2 TRP A 21 -46.207 -9.090 -24.750 1.00 24.15 C ATOM 313 NE1 TRP A 21 -46.791 -7.789 -23.022 1.00 75.51 N ATOM 314 CE2 TRP A 21 -46.974 -7.973 -24.367 1.00 32.12 C ATOM 315 CE3 TRP A 21 -46.221 -9.491 -26.089 1.00 40.41 C ATOM 316 CZ2 TRP A 21 -47.748 -7.256 -25.276 1.00 51.43 C ATOM 317 CZ3 TRP A 21 -46.989 -8.777 -26.989 1.00 23.34 C ATOM 318 CH2 TRP A 21 -47.743 -7.670 -26.581 1.00 42.42 C ATOM 0 H TRP A 21 -44.400 -11.387 -21.108 1.00 14.33 H new ATOM 0 HA TRP A 21 -46.360 -11.949 -23.081 1.00 73.41 H new ATOM 0 HB2 TRP A 21 -43.767 -10.481 -22.865 1.00 65.10 H new ATOM 0 HB3 TRP A 21 -44.238 -10.977 -24.478 1.00 65.10 H new ATOM 0 HD1 TRP A 21 -45.610 -8.850 -21.527 1.00 5.25 H new ATOM 0 HE1 TRP A 21 -47.222 -7.055 -22.460 1.00 75.51 H new ATOM 0 HE3 TRP A 21 -45.642 -10.343 -26.414 1.00 40.41 H new ATOM 0 HZ2 TRP A 21 -48.332 -6.403 -24.962 1.00 51.43 H new ATOM 0 HZ3 TRP A 21 -47.008 -9.078 -28.026 1.00 23.34 H new ATOM 0 HH2 TRP A 21 -48.332 -7.133 -27.310 1.00 42.42 H new ATOM 329 N GLN A 22 -45.585 -13.884 -24.405 1.00 14.31 N ATOM 330 CA GLN A 22 -45.187 -15.087 -25.127 1.00 1.54 C ATOM 331 C GLN A 22 -44.545 -14.733 -26.464 1.00 24.02 C ATOM 332 O GLN A 22 -45.239 -14.439 -27.438 1.00 52.13 O ATOM 333 CB GLN A 22 -46.397 -15.995 -25.352 1.00 34.14 C ATOM 334 CG GLN A 22 -47.206 -16.257 -24.092 1.00 44.32 C ATOM 335 CD GLN A 22 -46.381 -16.896 -22.993 1.00 23.02 C ATOM 336 OE1 GLN A 22 -45.293 -17.418 -23.239 1.00 75.41 O ATOM 337 NE2 GLN A 22 -46.895 -16.860 -21.768 1.00 14.51 N ATOM 0 H GLN A 22 -46.546 -13.588 -24.575 1.00 14.31 H new ATOM 0 HA GLN A 22 -44.451 -15.617 -24.522 1.00 1.54 H new ATOM 0 HB2 GLN A 22 -47.045 -15.542 -26.102 1.00 34.14 H new ATOM 0 HB3 GLN A 22 -46.055 -16.947 -25.759 1.00 34.14 H new ATOM 0 HG2 GLN A 22 -47.622 -15.317 -23.729 1.00 44.32 H new ATOM 0 HG3 GLN A 22 -48.048 -16.906 -24.333 1.00 44.32 H new ATOM 0 HE21 GLN A 22 -47.800 -16.417 -21.607 1.00 14.51 H new ATOM 0 HE22 GLN A 22 -46.385 -17.275 -20.988 1.00 14.51 H new ATOM 346 N TYR A 23 -43.219 -14.764 -26.504 1.00 44.22 N ATOM 347 CA TYR A 23 -42.483 -14.443 -27.721 1.00 65.20 C ATOM 348 C TYR A 23 -42.417 -15.651 -28.651 1.00 14.23 C ATOM 349 O TYR A 23 -42.531 -16.794 -28.212 1.00 60.41 O ATOM 350 CB TYR A 23 -41.068 -13.972 -27.378 1.00 33.41 C ATOM 351 CG TYR A 23 -41.010 -13.051 -26.180 1.00 71.45 C ATOM 352 CD1 TYR A 23 -41.805 -11.914 -26.115 1.00 35.20 C ATOM 353 CD2 TYR A 23 -40.160 -13.318 -25.114 1.00 40.04 C ATOM 354 CE1 TYR A 23 -41.755 -11.069 -25.024 1.00 10.14 C ATOM 355 CE2 TYR A 23 -40.104 -12.479 -24.018 1.00 12.44 C ATOM 356 CZ TYR A 23 -40.905 -11.355 -23.977 1.00 64.35 C ATOM 357 OH TYR A 23 -40.851 -10.518 -22.888 1.00 50.54 O ATOM 0 H TYR A 23 -42.631 -15.008 -25.707 1.00 44.22 H new ATOM 0 HA TYR A 23 -43.012 -13.639 -28.234 1.00 65.20 H new ATOM 0 HB2 TYR A 23 -40.441 -14.843 -27.187 1.00 33.41 H new ATOM 0 HB3 TYR A 23 -40.646 -13.458 -28.242 1.00 33.41 H new ATOM 0 HD1 TYR A 23 -42.474 -11.687 -26.932 1.00 35.20 H new ATOM 0 HD2 TYR A 23 -39.532 -14.196 -25.143 1.00 40.04 H new ATOM 0 HE1 TYR A 23 -42.379 -10.188 -24.991 1.00 10.14 H new ATOM 0 HE2 TYR A 23 -39.437 -12.701 -23.198 1.00 12.44 H new ATOM 0 HH TYR A 23 -40.202 -10.865 -22.241 1.00 50.54 H new ATOM 367 N GLY A 24 -42.232 -15.386 -29.941 1.00 34.41 N ATOM 368 CA GLY A 24 -42.153 -16.459 -30.915 1.00 23.23 C ATOM 369 C GLY A 24 -40.724 -16.843 -31.242 1.00 55.54 C ATOM 370 O GLY A 24 -39.791 -16.441 -30.546 1.00 60.43 O ATOM 0 H GLY A 24 -42.135 -14.447 -30.329 1.00 34.41 H new ATOM 0 HA2 GLY A 24 -42.682 -17.332 -30.532 1.00 23.23 H new ATOM 0 HA3 GLY A 24 -42.662 -16.153 -31.829 1.00 23.23 H new ATOM 374 N LYS A 25 -40.550 -17.623 -32.303 1.00 74.23 N ATOM 375 CA LYS A 25 -39.224 -18.062 -32.722 1.00 2.02 C ATOM 376 C LYS A 25 -38.334 -16.867 -33.050 1.00 11.11 C ATOM 377 O LYS A 25 -38.825 -15.785 -33.375 1.00 24.41 O ATOM 378 CB LYS A 25 -39.331 -18.982 -33.940 1.00 52.13 C ATOM 379 CG LYS A 25 -39.555 -18.239 -35.246 1.00 44.12 C ATOM 380 CD LYS A 25 -40.987 -17.749 -35.370 1.00 20.04 C ATOM 381 CE LYS A 25 -41.092 -16.258 -35.091 1.00 10.22 C ATOM 382 NZ LYS A 25 -42.132 -15.607 -35.936 1.00 23.44 N ATOM 0 H LYS A 25 -41.312 -17.965 -32.889 1.00 74.23 H new ATOM 0 HA LYS A 25 -38.773 -18.613 -31.897 1.00 2.02 H new ATOM 0 HB2 LYS A 25 -38.418 -19.573 -34.020 1.00 52.13 H new ATOM 0 HB3 LYS A 25 -40.152 -19.682 -33.785 1.00 52.13 H new ATOM 0 HG2 LYS A 25 -38.873 -17.391 -35.305 1.00 44.12 H new ATOM 0 HG3 LYS A 25 -39.320 -18.895 -36.084 1.00 44.12 H new ATOM 0 HD2 LYS A 25 -41.359 -17.960 -36.373 1.00 20.04 H new ATOM 0 HD3 LYS A 25 -41.622 -18.296 -34.673 1.00 20.04 H new ATOM 0 HE2 LYS A 25 -41.329 -16.101 -34.039 1.00 10.22 H new ATOM 0 HE3 LYS A 25 -40.127 -15.785 -35.274 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 -42.172 -14.591 -35.716 1.00 23.44 H new ATOM 0 HZ2 LYS A 25 -41.893 -15.734 -36.940 1.00 23.44 H new ATOM 0 HZ3 LYS A 25 -43.057 -16.040 -35.743 1.00 23.44 H new ATOM 396 N CYS A 26 -37.024 -17.070 -32.965 1.00 52.05 N ATOM 397 CA CYS A 26 -36.065 -16.011 -33.254 1.00 2.14 C ATOM 398 C CYS A 26 -35.407 -16.228 -34.613 1.00 12.14 C ATOM 399 O CYS A 26 -34.612 -17.151 -34.790 1.00 24.40 O ATOM 400 CB CYS A 26 -34.996 -15.950 -32.161 1.00 43.10 C ATOM 401 SG CYS A 26 -35.253 -14.622 -30.942 1.00 2.44 S ATOM 0 H CYS A 26 -36.602 -17.959 -32.698 1.00 52.05 H new ATOM 0 HA CYS A 26 -36.604 -15.064 -33.279 1.00 2.14 H new ATOM 0 HB2 CYS A 26 -34.970 -16.907 -31.640 1.00 43.10 H new ATOM 0 HB3 CYS A 26 -34.021 -15.815 -32.629 1.00 43.10 H new ATOM 407 N VAL A 27 -35.745 -15.371 -35.572 1.00 44.23 N ATOM 408 CA VAL A 27 -35.186 -15.468 -36.915 1.00 71.22 C ATOM 409 C VAL A 27 -34.285 -14.278 -37.223 1.00 42.14 C ATOM 410 O VAL A 27 -34.662 -13.119 -37.046 1.00 65.52 O ATOM 411 CB VAL A 27 -36.296 -15.546 -37.981 1.00 3.50 C ATOM 412 CG1 VAL A 27 -37.368 -14.500 -37.712 1.00 5.21 C ATOM 413 CG2 VAL A 27 -35.710 -15.375 -39.373 1.00 13.11 C ATOM 0 H VAL A 27 -36.403 -14.602 -35.443 1.00 44.23 H new ATOM 0 HA VAL A 27 -34.596 -16.384 -36.946 1.00 71.22 H new ATOM 0 HB VAL A 27 -36.761 -16.530 -37.926 1.00 3.50 H new ATOM 0 HG11 VAL A 27 -38.144 -14.570 -38.475 1.00 5.21 H new ATOM 0 HG12 VAL A 27 -37.808 -14.674 -36.730 1.00 5.21 H new ATOM 0 HG13 VAL A 27 -36.921 -13.506 -37.739 1.00 5.21 H new ATOM 0 HG21 VAL A 27 -36.508 -15.433 -40.113 1.00 13.11 H new ATOM 0 HG22 VAL A 27 -35.219 -14.405 -39.444 1.00 13.11 H new ATOM 0 HG23 VAL A 27 -34.983 -16.165 -39.561 1.00 13.11 H new ATOM 423 N PRO A 28 -33.063 -14.567 -37.695 1.00 61.04 N ATOM 424 CA PRO A 28 -32.082 -13.534 -38.038 1.00 2.11 C ATOM 425 C PRO A 28 -32.482 -12.744 -39.280 1.00 4.11 C ATOM 426 O PRO A 28 -32.529 -13.286 -40.383 1.00 63.21 O ATOM 427 CB PRO A 28 -30.802 -14.332 -38.302 1.00 23.04 C ATOM 428 CG PRO A 28 -31.278 -15.686 -38.702 1.00 71.53 C ATOM 429 CD PRO A 28 -32.545 -15.925 -37.930 1.00 21.44 C ATOM 0 HA PRO A 28 -31.981 -12.790 -37.248 1.00 2.11 H new ATOM 0 HB2 PRO A 28 -30.204 -13.873 -39.090 1.00 23.04 H new ATOM 0 HB3 PRO A 28 -30.174 -14.380 -37.412 1.00 23.04 H new ATOM 0 HG2 PRO A 28 -31.460 -15.734 -39.776 1.00 71.53 H new ATOM 0 HG3 PRO A 28 -30.531 -16.446 -38.471 1.00 71.53 H new ATOM 0 HD2 PRO A 28 -33.252 -16.532 -38.496 1.00 21.44 H new ATOM 0 HD3 PRO A 28 -32.352 -16.449 -36.994 1.00 21.44 H new ATOM 437 N ASN A 29 -32.770 -11.460 -39.091 1.00 72.25 N ATOM 438 CA ASN A 29 -33.165 -10.596 -40.198 1.00 20.14 C ATOM 439 C ASN A 29 -31.942 -10.002 -40.889 1.00 34.40 C ATOM 440 O ASN A 29 -31.928 -9.828 -42.108 1.00 33.31 O ATOM 441 CB ASN A 29 -34.076 -9.474 -39.695 1.00 44.33 C ATOM 442 CG ASN A 29 -34.889 -8.845 -40.810 1.00 23.04 C ATOM 443 OD1 ASN A 29 -36.004 -9.279 -41.101 1.00 3.55 O ATOM 444 ND2 ASN A 29 -34.332 -7.817 -41.440 1.00 22.13 N ATOM 0 H ASN A 29 -32.737 -10.996 -38.183 1.00 72.25 H new ATOM 0 HA ASN A 29 -33.710 -11.201 -40.922 1.00 20.14 H new ATOM 0 HB2 ASN A 29 -34.751 -9.870 -38.936 1.00 44.33 H new ATOM 0 HB3 ASN A 29 -33.470 -8.706 -39.213 1.00 44.33 H new ATOM 0 HD21 ASN A 29 -34.831 -7.353 -42.199 1.00 22.13 H new ATOM 0 HD22 ASN A 29 -33.405 -7.491 -41.165 1.00 22.13 H new ATOM 451 N SER A 30 -30.916 -9.692 -40.102 1.00 30.50 N ATOM 452 CA SER A 30 -29.690 -9.115 -40.638 1.00 41.01 C ATOM 453 C SER A 30 -28.620 -10.187 -40.825 1.00 30.41 C ATOM 454 O SER A 30 -28.141 -10.776 -39.857 1.00 32.41 O ATOM 455 CB SER A 30 -29.170 -8.016 -39.709 1.00 45.12 C ATOM 456 OG SER A 30 -28.022 -7.388 -40.253 1.00 25.12 O ATOM 0 H SER A 30 -30.910 -9.831 -39.092 1.00 30.50 H new ATOM 0 HA SER A 30 -29.918 -8.681 -41.611 1.00 41.01 H new ATOM 0 HB2 SER A 30 -29.951 -7.274 -39.546 1.00 45.12 H new ATOM 0 HB3 SER A 30 -28.928 -8.443 -38.736 1.00 45.12 H new ATOM 0 HG SER A 30 -27.711 -6.689 -39.641 1.00 25.12 H new ATOM 462 N GLY A 31 -28.252 -10.435 -42.078 1.00 21.02 N ATOM 463 CA GLY A 31 -27.242 -11.436 -42.370 1.00 74.32 C ATOM 464 C GLY A 31 -27.761 -12.849 -42.200 1.00 4.55 C ATOM 465 O GLY A 31 -28.969 -13.085 -42.251 1.00 73.32 O ATOM 0 H GLY A 31 -28.635 -9.961 -42.896 1.00 21.02 H new ATOM 0 HA2 GLY A 31 -26.888 -11.303 -43.392 1.00 74.32 H new ATOM 0 HA3 GLY A 31 -26.385 -11.285 -41.713 1.00 74.32 H new ATOM 469 N ASP A 32 -26.848 -13.793 -41.996 1.00 55.40 N ATOM 470 CA ASP A 32 -27.220 -15.191 -41.817 1.00 41.24 C ATOM 471 C ASP A 32 -27.586 -15.474 -40.363 1.00 24.54 C ATOM 472 O ASP A 32 -28.482 -16.271 -40.082 1.00 1.44 O ATOM 473 CB ASP A 32 -26.075 -16.106 -42.255 1.00 54.33 C ATOM 474 CG ASP A 32 -26.176 -16.500 -43.715 1.00 64.23 C ATOM 475 OD1 ASP A 32 -26.334 -15.598 -44.563 1.00 33.24 O ATOM 476 OD2 ASP A 32 -26.095 -17.711 -44.010 1.00 22.54 O ATOM 0 H ASP A 32 -25.845 -13.615 -41.951 1.00 55.40 H new ATOM 0 HA ASP A 32 -28.093 -15.391 -42.438 1.00 41.24 H new ATOM 0 HB2 ASP A 32 -25.124 -15.602 -42.083 1.00 54.33 H new ATOM 0 HB3 ASP A 32 -26.075 -17.005 -41.638 1.00 54.33 H new ATOM 481 N CYS A 33 -26.887 -14.818 -39.444 1.00 50.42 N ATOM 482 CA CYS A 33 -27.136 -15.000 -38.019 1.00 41.20 C ATOM 483 C CYS A 33 -26.708 -13.765 -37.230 1.00 33.40 C ATOM 484 O CYS A 33 -25.791 -13.048 -37.628 1.00 25.43 O ATOM 485 CB CYS A 33 -26.391 -16.232 -37.502 1.00 31.14 C ATOM 486 SG CYS A 33 -24.578 -16.120 -37.646 1.00 15.31 S ATOM 0 H CYS A 33 -26.143 -14.155 -39.660 1.00 50.42 H new ATOM 0 HA CYS A 33 -28.207 -15.147 -37.879 1.00 41.20 H new ATOM 0 HB2 CYS A 33 -26.653 -16.389 -36.456 1.00 31.14 H new ATOM 0 HB3 CYS A 33 -26.735 -17.108 -38.051 1.00 31.14 H new ATOM 492 N GLY A 34 -27.380 -13.524 -36.108 1.00 14.04 N ATOM 493 CA GLY A 34 -27.055 -12.377 -35.281 1.00 33.11 C ATOM 494 C GLY A 34 -28.283 -11.754 -34.646 1.00 3.12 C ATOM 495 O GLY A 34 -28.942 -12.376 -33.813 1.00 61.42 O ATOM 0 H GLY A 34 -28.143 -14.103 -35.757 1.00 14.04 H new ATOM 0 HA2 GLY A 34 -26.360 -12.682 -34.499 1.00 33.11 H new ATOM 0 HA3 GLY A 34 -26.544 -11.629 -35.887 1.00 33.11 H new ATOM 499 N ASN A 35 -28.590 -10.522 -35.037 1.00 55.12 N ATOM 500 CA ASN A 35 -29.745 -9.814 -34.498 1.00 30.23 C ATOM 501 C ASN A 35 -31.026 -10.242 -35.208 1.00 63.13 C ATOM 502 O ASN A 35 -31.346 -9.745 -36.287 1.00 5.14 O ATOM 503 CB ASN A 35 -29.554 -8.302 -34.636 1.00 64.41 C ATOM 504 CG ASN A 35 -30.362 -7.521 -33.618 1.00 20.30 C ATOM 505 OD1 ASN A 35 -31.510 -7.860 -33.329 1.00 33.44 O ATOM 506 ND2 ASN A 35 -29.766 -6.470 -33.068 1.00 70.45 N ATOM 0 H ASN A 35 -28.055 -9.993 -35.725 1.00 55.12 H new ATOM 0 HA ASN A 35 -29.833 -10.067 -33.442 1.00 30.23 H new ATOM 0 HB2 ASN A 35 -28.498 -8.060 -34.520 1.00 64.41 H new ATOM 0 HB3 ASN A 35 -29.843 -7.992 -35.640 1.00 64.41 H new ATOM 0 HD21 ASN A 35 -30.261 -5.907 -32.376 1.00 70.45 H new ATOM 0 HD22 ASN A 35 -28.813 -6.225 -33.337 1.00 70.45 H new ATOM 513 N GLY A 36 -31.755 -11.170 -34.594 1.00 42.03 N ATOM 514 CA GLY A 36 -32.993 -11.649 -35.181 1.00 60.23 C ATOM 515 C GLY A 36 -34.214 -10.966 -34.597 1.00 73.41 C ATOM 516 O GLY A 36 -34.092 -10.082 -33.751 1.00 15.04 O ATOM 0 H GLY A 36 -31.510 -11.598 -33.701 1.00 42.03 H new ATOM 0 HA2 GLY A 36 -32.969 -11.484 -36.258 1.00 60.23 H new ATOM 0 HA3 GLY A 36 -33.073 -12.725 -35.025 1.00 60.23 H new ATOM 520 N ILE A 37 -35.393 -11.377 -35.053 1.00 73.24 N ATOM 521 CA ILE A 37 -36.640 -10.798 -34.571 1.00 35.41 C ATOM 522 C ILE A 37 -37.635 -11.884 -34.178 1.00 22.25 C ATOM 523 O ILE A 37 -37.683 -12.949 -34.795 1.00 1.34 O ATOM 524 CB ILE A 37 -37.285 -9.887 -35.633 1.00 1.35 C ATOM 525 CG1 ILE A 37 -36.305 -8.794 -36.063 1.00 63.51 C ATOM 526 CG2 ILE A 37 -38.569 -9.273 -35.094 1.00 55.35 C ATOM 527 CD1 ILE A 37 -35.911 -7.861 -34.940 1.00 0.51 C ATOM 0 H ILE A 37 -35.510 -12.108 -35.755 1.00 73.24 H new ATOM 0 HA ILE A 37 -36.392 -10.201 -33.693 1.00 35.41 H new ATOM 0 HB ILE A 37 -37.532 -10.490 -36.506 1.00 1.35 H new ATOM 0 HG12 ILE A 37 -35.407 -9.261 -36.469 1.00 63.51 H new ATOM 0 HG13 ILE A 37 -36.753 -8.212 -36.868 1.00 63.51 H new ATOM 0 HG21 ILE A 37 -39.013 -8.632 -35.855 1.00 55.35 H new ATOM 0 HG22 ILE A 37 -39.270 -10.066 -34.833 1.00 55.35 H new ATOM 0 HG23 ILE A 37 -38.345 -8.681 -34.207 1.00 55.35 H new ATOM 0 HD11 ILE A 37 -35.215 -7.112 -35.317 1.00 0.51 H new ATOM 0 HD12 ILE A 37 -36.800 -7.366 -34.549 1.00 0.51 H new ATOM 0 HD13 ILE A 37 -35.434 -8.432 -34.143 1.00 0.51 H new ATOM 539 N ARG A 38 -38.429 -11.608 -33.148 1.00 63.34 N ATOM 540 CA ARG A 38 -39.423 -12.563 -32.673 1.00 53.42 C ATOM 541 C ARG A 38 -40.787 -11.894 -32.517 1.00 42.15 C ATOM 542 O ARG A 38 -40.887 -10.784 -31.994 1.00 24.32 O ATOM 543 CB ARG A 38 -38.984 -13.167 -31.338 1.00 51.30 C ATOM 544 CG ARG A 38 -38.871 -12.148 -30.216 1.00 20.12 C ATOM 545 CD ARG A 38 -38.090 -12.704 -29.035 1.00 70.04 C ATOM 546 NE ARG A 38 -37.002 -11.816 -28.632 1.00 2.34 N ATOM 547 CZ ARG A 38 -36.360 -11.920 -27.473 1.00 32.31 C ATOM 548 NH1 ARG A 38 -36.695 -12.867 -26.609 1.00 25.13 N ATOM 549 NH2 ARG A 38 -35.381 -11.075 -27.179 1.00 50.45 N ATOM 0 H ARG A 38 -38.403 -10.731 -32.627 1.00 63.34 H new ATOM 0 HA ARG A 38 -39.509 -13.359 -33.413 1.00 53.42 H new ATOM 0 HB2 ARG A 38 -39.697 -13.939 -31.046 1.00 51.30 H new ATOM 0 HB3 ARG A 38 -38.020 -13.657 -31.470 1.00 51.30 H new ATOM 0 HG2 ARG A 38 -38.380 -11.249 -30.588 1.00 20.12 H new ATOM 0 HG3 ARG A 38 -39.868 -11.854 -29.888 1.00 20.12 H new ATOM 0 HD2 ARG A 38 -38.765 -12.856 -28.193 1.00 70.04 H new ATOM 0 HD3 ARG A 38 -37.683 -13.681 -29.297 1.00 70.04 H new ATOM 0 HE ARG A 38 -36.720 -11.076 -29.275 1.00 2.34 H new ATOM 0 HH11 ARG A 38 -37.447 -13.518 -26.833 1.00 25.13 H new ATOM 0 HH12 ARG A 38 -36.201 -12.945 -25.720 1.00 25.13 H new ATOM 0 HH21 ARG A 38 -35.121 -10.345 -27.842 1.00 50.45 H new ATOM 0 HH22 ARG A 38 -34.888 -11.155 -26.289 1.00 50.45 H new ATOM 563 N GLU A 39 -41.831 -12.578 -32.974 1.00 74.42 N ATOM 564 CA GLU A 39 -43.187 -12.049 -32.886 1.00 65.53 C ATOM 565 C GLU A 39 -43.907 -12.601 -31.660 1.00 30.11 C ATOM 566 O GLU A 39 -43.897 -13.807 -31.411 1.00 34.21 O ATOM 567 CB GLU A 39 -43.974 -12.392 -34.152 1.00 23.25 C ATOM 568 CG GLU A 39 -43.771 -11.400 -35.284 1.00 54.14 C ATOM 569 CD GLU A 39 -43.217 -12.050 -36.537 1.00 53.40 C ATOM 570 OE1 GLU A 39 -43.942 -12.856 -37.157 1.00 10.10 O ATOM 571 OE2 GLU A 39 -42.059 -11.752 -36.898 1.00 31.21 O ATOM 0 H GLU A 39 -41.764 -13.498 -33.408 1.00 74.42 H new ATOM 0 HA GLU A 39 -43.122 -10.965 -32.790 1.00 65.53 H new ATOM 0 HB2 GLU A 39 -43.681 -13.385 -34.494 1.00 23.25 H new ATOM 0 HB3 GLU A 39 -45.035 -12.439 -33.908 1.00 23.25 H new ATOM 0 HG2 GLU A 39 -44.722 -10.921 -35.518 1.00 54.14 H new ATOM 0 HG3 GLU A 39 -43.091 -10.614 -34.956 1.00 54.14 H new ATOM 578 N ALA A 40 -44.532 -11.711 -30.897 1.00 13.13 N ATOM 579 CA ALA A 40 -45.258 -12.108 -29.697 1.00 34.52 C ATOM 580 C ALA A 40 -46.709 -11.639 -29.754 1.00 24.20 C ATOM 581 O ALA A 40 -47.020 -10.617 -30.367 1.00 64.23 O ATOM 582 CB ALA A 40 -44.572 -11.557 -28.457 1.00 53.55 C ATOM 0 H ALA A 40 -44.550 -10.709 -31.089 1.00 13.13 H new ATOM 0 HA ALA A 40 -45.256 -13.197 -29.645 1.00 34.52 H new ATOM 0 HB1 ALA A 40 -45.126 -11.862 -27.569 1.00 53.55 H new ATOM 0 HB2 ALA A 40 -43.555 -11.945 -28.401 1.00 53.55 H new ATOM 0 HB3 ALA A 40 -44.543 -10.469 -28.511 1.00 53.55 H new ATOM 588 N THR A 41 -47.595 -12.393 -29.110 1.00 20.20 N ATOM 589 CA THR A 41 -49.013 -12.057 -29.089 1.00 14.21 C ATOM 590 C THR A 41 -49.526 -11.927 -27.659 1.00 33.22 C ATOM 591 O THR A 41 -49.519 -12.894 -26.897 1.00 45.32 O ATOM 592 CB THR A 41 -49.853 -13.114 -29.830 1.00 20.31 C ATOM 593 OG1 THR A 41 -49.082 -14.305 -30.022 1.00 30.31 O ATOM 594 CG2 THR A 41 -50.322 -12.585 -31.177 1.00 23.51 C ATOM 0 H THR A 41 -47.355 -13.241 -28.596 1.00 20.20 H new ATOM 0 HA THR A 41 -49.118 -11.099 -29.598 1.00 14.21 H new ATOM 0 HB THR A 41 -50.729 -13.342 -29.222 1.00 20.31 H new ATOM 0 HG1 THR A 41 -49.623 -14.973 -30.492 1.00 30.31 H new ATOM 0 HG21 THR A 41 -50.913 -13.349 -31.682 1.00 23.51 H new ATOM 0 HG22 THR A 41 -50.932 -11.695 -31.026 1.00 23.51 H new ATOM 0 HG23 THR A 41 -49.457 -12.332 -31.790 1.00 23.51 H new ATOM 602 N CYS A 42 -49.971 -10.727 -27.302 1.00 34.24 N ATOM 603 CA CYS A 42 -50.489 -10.471 -25.963 1.00 53.21 C ATOM 604 C CYS A 42 -51.341 -9.204 -25.943 1.00 64.42 C ATOM 605 O CYS A 42 -50.997 -8.202 -26.568 1.00 62.43 O ATOM 606 CB CYS A 42 -49.337 -10.340 -24.965 1.00 13.02 C ATOM 607 SG CYS A 42 -49.574 -11.288 -23.428 1.00 0.21 S ATOM 0 H CYS A 42 -49.983 -9.916 -27.921 1.00 34.24 H new ATOM 0 HA CYS A 42 -51.116 -11.315 -25.675 1.00 53.21 H new ATOM 0 HB2 CYS A 42 -48.416 -10.670 -25.445 1.00 13.02 H new ATOM 0 HB3 CYS A 42 -49.206 -9.287 -24.714 1.00 13.02 H new ATOM 613 N ASN A 43 -52.455 -9.259 -25.219 1.00 62.23 N ATOM 614 CA ASN A 43 -53.356 -8.117 -25.118 1.00 65.11 C ATOM 615 C ASN A 43 -53.969 -7.785 -26.475 1.00 23.44 C ATOM 616 O ASN A 43 -54.584 -6.733 -26.648 1.00 24.23 O ATOM 617 CB ASN A 43 -52.610 -6.899 -24.571 1.00 1.22 C ATOM 618 CG ASN A 43 -52.062 -7.134 -23.176 1.00 21.43 C ATOM 619 OD1 ASN A 43 -52.729 -7.726 -22.327 1.00 22.30 O ATOM 620 ND2 ASN A 43 -50.842 -6.670 -22.934 1.00 31.01 N ATOM 0 H ASN A 43 -52.755 -10.081 -24.695 1.00 62.23 H new ATOM 0 HA ASN A 43 -54.160 -8.381 -24.431 1.00 65.11 H new ATOM 0 HB2 ASN A 43 -51.790 -6.647 -25.243 1.00 1.22 H new ATOM 0 HB3 ASN A 43 -53.283 -6.042 -24.554 1.00 1.22 H new ATOM 0 HD21 ASN A 43 -50.421 -6.798 -22.014 1.00 31.01 H new ATOM 0 HD22 ASN A 43 -50.326 -6.185 -23.668 1.00 31.01 H new ATOM 627 N GLU A 44 -53.797 -8.691 -27.433 1.00 10.31 N ATOM 628 CA GLU A 44 -54.333 -8.493 -28.774 1.00 30.13 C ATOM 629 C GLU A 44 -53.563 -7.403 -29.513 1.00 12.02 C ATOM 630 O GLU A 44 -54.001 -6.254 -29.577 1.00 4.24 O ATOM 631 CB GLU A 44 -55.818 -8.127 -28.706 1.00 45.50 C ATOM 632 CG GLU A 44 -56.587 -8.461 -29.973 1.00 41.52 C ATOM 633 CD GLU A 44 -56.381 -7.433 -31.068 1.00 41.40 C ATOM 634 OE1 GLU A 44 -56.864 -6.293 -30.911 1.00 50.23 O ATOM 635 OE2 GLU A 44 -55.735 -7.771 -32.083 1.00 13.51 O ATOM 0 H GLU A 44 -53.291 -9.568 -27.305 1.00 10.31 H new ATOM 0 HA GLU A 44 -54.221 -9.428 -29.323 1.00 30.13 H new ATOM 0 HB2 GLU A 44 -56.274 -8.650 -27.866 1.00 45.50 H new ATOM 0 HB3 GLU A 44 -55.911 -7.060 -28.505 1.00 45.50 H new ATOM 0 HG2 GLU A 44 -56.275 -9.440 -30.336 1.00 41.52 H new ATOM 0 HG3 GLU A 44 -57.650 -8.531 -29.741 1.00 41.52 H new ATOM 642 N GLN A 45 -52.414 -7.771 -30.069 1.00 61.21 N ATOM 643 CA GLN A 45 -51.582 -6.824 -30.803 1.00 23.43 C ATOM 644 C GLN A 45 -50.328 -7.505 -31.342 1.00 31.04 C ATOM 645 O GLN A 45 -49.982 -8.612 -30.927 1.00 51.20 O ATOM 646 CB GLN A 45 -51.192 -5.651 -29.902 1.00 20.43 C ATOM 647 CG GLN A 45 -50.811 -6.069 -28.491 1.00 53.54 C ATOM 648 CD GLN A 45 -49.748 -5.173 -27.885 1.00 64.34 C ATOM 649 OE1 GLN A 45 -48.989 -4.519 -28.601 1.00 4.32 O ATOM 650 NE2 GLN A 45 -49.687 -5.140 -26.559 1.00 11.02 N ATOM 0 H GLN A 45 -52.037 -8.718 -30.026 1.00 61.21 H new ATOM 0 HA GLN A 45 -52.161 -6.448 -31.647 1.00 23.43 H new ATOM 0 HB2 GLN A 45 -50.354 -5.120 -30.353 1.00 20.43 H new ATOM 0 HB3 GLN A 45 -52.025 -4.949 -29.852 1.00 20.43 H new ATOM 0 HG2 GLN A 45 -51.699 -6.052 -27.859 1.00 53.54 H new ATOM 0 HG3 GLN A 45 -50.449 -7.097 -28.506 1.00 53.54 H new ATOM 0 HE21 GLN A 45 -50.336 -5.698 -26.005 1.00 11.02 H new ATOM 0 HE22 GLN A 45 -48.991 -4.556 -26.095 1.00 11.02 H new ATOM 659 N THR A 46 -49.650 -6.837 -32.269 1.00 33.12 N ATOM 660 CA THR A 46 -48.435 -7.377 -32.867 1.00 24.33 C ATOM 661 C THR A 46 -47.232 -6.494 -32.561 1.00 4.21 C ATOM 662 O THR A 46 -47.280 -5.276 -32.740 1.00 22.53 O ATOM 663 CB THR A 46 -48.577 -7.523 -34.393 1.00 74.30 C ATOM 664 OG1 THR A 46 -49.956 -7.437 -34.768 1.00 12.10 O ATOM 665 CG2 THR A 46 -47.999 -8.847 -34.867 1.00 62.54 C ATOM 0 H THR A 46 -49.922 -5.920 -32.623 1.00 33.12 H new ATOM 0 HA THR A 46 -48.278 -8.363 -32.429 1.00 24.33 H new ATOM 0 HB THR A 46 -48.022 -6.713 -34.865 1.00 74.30 H new ATOM 0 HG1 THR A 46 -50.037 -7.529 -35.740 1.00 12.10 H new ATOM 0 HG21 THR A 46 -48.111 -8.927 -35.948 1.00 62.54 H new ATOM 0 HG22 THR A 46 -46.942 -8.896 -34.607 1.00 62.54 H new ATOM 0 HG23 THR A 46 -48.529 -9.669 -34.386 1.00 62.54 H new ATOM 673 N LYS A 47 -46.152 -7.113 -32.097 1.00 62.15 N ATOM 674 CA LYS A 47 -44.933 -6.383 -31.767 1.00 30.54 C ATOM 675 C LYS A 47 -43.699 -7.249 -32.005 1.00 13.15 C ATOM 676 O LYS A 47 -43.636 -8.395 -31.559 1.00 14.42 O ATOM 677 CB LYS A 47 -44.970 -5.920 -30.309 1.00 32.30 C ATOM 678 CG LYS A 47 -45.289 -7.033 -29.325 1.00 14.33 C ATOM 679 CD LYS A 47 -44.533 -6.856 -28.020 1.00 2.42 C ATOM 680 CE LYS A 47 -43.515 -7.966 -27.810 1.00 53.15 C ATOM 681 NZ LYS A 47 -42.623 -7.689 -26.650 1.00 52.31 N ATOM 0 H LYS A 47 -46.096 -8.119 -31.941 1.00 62.15 H new ATOM 0 HA LYS A 47 -44.874 -5.510 -32.418 1.00 30.54 H new ATOM 0 HB2 LYS A 47 -44.005 -5.484 -30.051 1.00 32.30 H new ATOM 0 HB3 LYS A 47 -45.715 -5.131 -30.206 1.00 32.30 H new ATOM 0 HG2 LYS A 47 -46.361 -7.048 -29.127 1.00 14.33 H new ATOM 0 HG3 LYS A 47 -45.033 -7.996 -29.767 1.00 14.33 H new ATOM 0 HD2 LYS A 47 -44.026 -5.891 -28.020 1.00 2.42 H new ATOM 0 HD3 LYS A 47 -45.238 -6.845 -27.189 1.00 2.42 H new ATOM 0 HE2 LYS A 47 -44.035 -8.910 -27.650 1.00 53.15 H new ATOM 0 HE3 LYS A 47 -42.913 -8.082 -28.711 1.00 53.15 H new ATOM 0 HZ1 LYS A 47 -42.085 -8.547 -26.414 1.00 52.31 H new ATOM 0 HZ2 LYS A 47 -41.964 -6.923 -26.894 1.00 52.31 H new ATOM 0 HZ3 LYS A 47 -43.197 -7.404 -25.831 1.00 52.31 H new ATOM 695 N LYS A 48 -42.720 -6.693 -32.710 1.00 22.13 N ATOM 696 CA LYS A 48 -41.486 -7.412 -33.005 1.00 24.11 C ATOM 697 C LYS A 48 -40.350 -6.933 -32.108 1.00 45.22 C ATOM 698 O LYS A 48 -40.084 -5.735 -32.008 1.00 33.53 O ATOM 699 CB LYS A 48 -41.103 -7.226 -34.475 1.00 32.13 C ATOM 700 CG LYS A 48 -41.612 -8.334 -35.381 1.00 63.04 C ATOM 701 CD LYS A 48 -41.256 -8.073 -36.835 1.00 64.34 C ATOM 702 CE LYS A 48 -42.456 -7.568 -37.621 1.00 72.30 C ATOM 703 NZ LYS A 48 -43.181 -8.677 -38.300 1.00 4.24 N ATOM 0 H LYS A 48 -42.757 -5.746 -33.088 1.00 22.13 H new ATOM 0 HA LYS A 48 -41.656 -8.471 -32.811 1.00 24.11 H new ATOM 0 HB2 LYS A 48 -41.496 -6.272 -34.826 1.00 32.13 H new ATOM 0 HB3 LYS A 48 -40.017 -7.173 -34.555 1.00 32.13 H new ATOM 0 HG2 LYS A 48 -41.186 -9.287 -35.067 1.00 63.04 H new ATOM 0 HG3 LYS A 48 -42.694 -8.420 -35.280 1.00 63.04 H new ATOM 0 HD2 LYS A 48 -40.451 -7.340 -36.888 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -40.882 -8.990 -37.289 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -43.137 -7.047 -36.948 1.00 72.30 H new ATOM 0 HE3 LYS A 48 -42.124 -6.843 -38.364 1.00 72.30 H new ATOM 0 HZ1 LYS A 48 -43.992 -8.292 -38.825 1.00 4.24 H new ATOM 0 HZ2 LYS A 48 -42.538 -9.159 -38.961 1.00 4.24 H new ATOM 0 HZ3 LYS A 48 -43.520 -9.357 -37.589 1.00 4.24 H new ATOM 717 N THR A 49 -39.677 -7.878 -31.457 1.00 12.25 N ATOM 718 CA THR A 49 -38.569 -7.552 -30.568 1.00 4.01 C ATOM 719 C THR A 49 -37.249 -8.081 -31.119 1.00 32.23 C ATOM 720 O THR A 49 -37.223 -9.066 -31.857 1.00 61.32 O ATOM 721 CB THR A 49 -38.792 -8.130 -29.158 1.00 11.32 C ATOM 722 OG1 THR A 49 -38.407 -9.509 -29.126 1.00 14.35 O ATOM 723 CG2 THR A 49 -40.249 -7.994 -28.741 1.00 52.10 C ATOM 0 H THR A 49 -39.880 -8.875 -31.529 1.00 12.25 H new ATOM 0 HA THR A 49 -38.524 -6.465 -30.504 1.00 4.01 H new ATOM 0 HB THR A 49 -38.176 -7.566 -28.457 1.00 11.32 H new ATOM 0 HG1 THR A 49 -38.696 -9.910 -28.280 1.00 14.35 H new ATOM 0 HG21 THR A 49 -40.382 -8.409 -27.742 1.00 52.10 H new ATOM 0 HG22 THR A 49 -40.529 -6.941 -28.736 1.00 52.10 H new ATOM 0 HG23 THR A 49 -40.881 -8.535 -29.445 1.00 52.10 H new ATOM 731 N LYS A 50 -36.156 -7.422 -30.754 1.00 73.33 N ATOM 732 CA LYS A 50 -34.831 -7.826 -31.210 1.00 73.23 C ATOM 733 C LYS A 50 -34.248 -8.903 -30.302 1.00 23.52 C ATOM 734 O LYS A 50 -34.454 -8.885 -29.088 1.00 44.13 O ATOM 735 CB LYS A 50 -33.892 -6.617 -31.253 1.00 21.13 C ATOM 736 CG LYS A 50 -33.959 -5.840 -32.556 1.00 21.31 C ATOM 737 CD LYS A 50 -33.933 -4.341 -32.313 1.00 34.20 C ATOM 738 CE LYS A 50 -34.725 -3.591 -33.373 1.00 35.12 C ATOM 739 NZ LYS A 50 -34.437 -2.130 -33.351 1.00 12.15 N ATOM 0 H LYS A 50 -36.161 -6.605 -30.143 1.00 73.33 H new ATOM 0 HA LYS A 50 -34.930 -8.237 -32.215 1.00 73.23 H new ATOM 0 HB2 LYS A 50 -34.137 -5.948 -30.428 1.00 21.13 H new ATOM 0 HB3 LYS A 50 -32.868 -6.957 -31.095 1.00 21.13 H new ATOM 0 HG2 LYS A 50 -33.119 -6.121 -33.192 1.00 21.31 H new ATOM 0 HG3 LYS A 50 -34.869 -6.107 -33.093 1.00 21.31 H new ATOM 0 HD2 LYS A 50 -34.345 -4.124 -31.328 1.00 34.20 H new ATOM 0 HD3 LYS A 50 -32.901 -3.989 -32.311 1.00 34.20 H new ATOM 0 HE2 LYS A 50 -34.486 -3.993 -34.357 1.00 35.12 H new ATOM 0 HE3 LYS A 50 -35.791 -3.753 -33.213 1.00 35.12 H new ATOM 0 HZ1 LYS A 50 -34.996 -1.655 -34.088 1.00 12.15 H new ATOM 0 HZ2 LYS A 50 -34.689 -1.740 -32.420 1.00 12.15 H new ATOM 0 HZ3 LYS A 50 -33.425 -1.973 -33.529 1.00 12.15 H new ATOM 753 N CYS A 51 -33.519 -9.842 -30.897 1.00 60.31 N ATOM 754 CA CYS A 51 -32.905 -10.928 -30.142 1.00 11.05 C ATOM 755 C CYS A 51 -31.590 -11.360 -30.782 1.00 73.43 C ATOM 756 O CYS A 51 -31.267 -10.954 -31.898 1.00 53.34 O ATOM 757 CB CYS A 51 -33.860 -12.120 -30.057 1.00 4.13 C ATOM 758 SG CYS A 51 -34.053 -13.033 -31.622 1.00 13.22 S ATOM 0 H CYS A 51 -33.339 -9.872 -31.901 1.00 60.31 H new ATOM 0 HA CYS A 51 -32.696 -10.565 -29.136 1.00 11.05 H new ATOM 0 HB2 CYS A 51 -33.500 -12.806 -29.291 1.00 4.13 H new ATOM 0 HB3 CYS A 51 -34.838 -11.765 -29.733 1.00 4.13 H new ATOM 764 N LYS A 52 -30.835 -12.189 -30.069 1.00 11.54 N ATOM 765 CA LYS A 52 -29.555 -12.679 -30.567 1.00 3.30 C ATOM 766 C LYS A 52 -29.534 -14.203 -30.603 1.00 62.12 C ATOM 767 O LYS A 52 -29.829 -14.863 -29.606 1.00 72.40 O ATOM 768 CB LYS A 52 -28.412 -12.163 -29.689 1.00 22.43 C ATOM 769 CG LYS A 52 -27.191 -11.724 -30.477 1.00 12.50 C ATOM 770 CD LYS A 52 -26.331 -12.909 -30.881 1.00 43.31 C ATOM 771 CE LYS A 52 -25.564 -13.471 -29.692 1.00 72.53 C ATOM 772 NZ LYS A 52 -24.595 -14.524 -30.106 1.00 41.50 N ATOM 0 H LYS A 52 -31.088 -12.536 -29.144 1.00 11.54 H new ATOM 0 HA LYS A 52 -29.421 -12.307 -31.583 1.00 3.30 H new ATOM 0 HB2 LYS A 52 -28.772 -11.323 -29.095 1.00 22.43 H new ATOM 0 HB3 LYS A 52 -28.120 -12.946 -28.989 1.00 22.43 H new ATOM 0 HG2 LYS A 52 -27.508 -11.183 -31.369 1.00 12.50 H new ATOM 0 HG3 LYS A 52 -26.600 -11.032 -29.877 1.00 12.50 H new ATOM 0 HD2 LYS A 52 -26.961 -13.688 -31.310 1.00 43.31 H new ATOM 0 HD3 LYS A 52 -25.629 -12.603 -31.657 1.00 43.31 H new ATOM 0 HE2 LYS A 52 -25.031 -12.664 -29.189 1.00 72.53 H new ATOM 0 HE3 LYS A 52 -26.267 -13.887 -28.970 1.00 72.53 H new ATOM 0 HZ1 LYS A 52 -24.217 -14.999 -29.262 1.00 41.50 H new ATOM 0 HZ2 LYS A 52 -25.077 -15.221 -30.709 1.00 41.50 H new ATOM 0 HZ3 LYS A 52 -23.814 -14.088 -30.637 1.00 41.50 H new ATOM 786 N VAL A 53 -29.181 -14.757 -31.759 1.00 62.23 N ATOM 787 CA VAL A 53 -29.118 -16.205 -31.925 1.00 51.20 C ATOM 788 C VAL A 53 -27.731 -16.737 -31.584 1.00 20.32 C ATOM 789 O VAL A 53 -26.722 -16.043 -31.715 1.00 35.01 O ATOM 790 CB VAL A 53 -29.476 -16.620 -33.364 1.00 20.44 C ATOM 791 CG1 VAL A 53 -30.836 -16.063 -33.758 1.00 65.42 C ATOM 792 CG2 VAL A 53 -28.401 -16.159 -34.335 1.00 52.34 C ATOM 0 H VAL A 53 -28.934 -14.226 -32.594 1.00 62.23 H new ATOM 0 HA VAL A 53 -29.847 -16.635 -31.239 1.00 51.20 H new ATOM 0 HB VAL A 53 -29.529 -17.708 -33.407 1.00 20.44 H new ATOM 0 HG11 VAL A 53 -31.072 -16.367 -34.778 1.00 65.42 H new ATOM 0 HG12 VAL A 53 -31.597 -16.448 -33.080 1.00 65.42 H new ATOM 0 HG13 VAL A 53 -30.814 -14.975 -33.699 1.00 65.42 H new ATOM 0 HG21 VAL A 53 -28.671 -16.461 -35.347 1.00 52.34 H new ATOM 0 HG22 VAL A 53 -28.313 -15.073 -34.292 1.00 52.34 H new ATOM 0 HG23 VAL A 53 -27.447 -16.611 -34.064 1.00 52.34 H new ATOM 802 N PRO A 54 -27.676 -18.001 -31.136 1.00 73.12 N ATOM 803 CA PRO A 54 -26.417 -18.656 -30.768 1.00 55.22 C ATOM 804 C PRO A 54 -25.537 -18.943 -31.981 1.00 24.13 C ATOM 805 O PRO A 54 -25.473 -20.076 -32.460 1.00 2.42 O ATOM 806 CB PRO A 54 -26.875 -19.963 -30.117 1.00 74.43 C ATOM 807 CG PRO A 54 -28.214 -20.233 -30.711 1.00 74.30 C ATOM 808 CD PRO A 54 -28.838 -18.887 -30.956 1.00 11.32 C ATOM 0 HA PRO A 54 -25.807 -18.031 -30.116 1.00 55.22 H new ATOM 0 HB2 PRO A 54 -26.178 -20.775 -30.326 1.00 74.43 H new ATOM 0 HB3 PRO A 54 -26.935 -19.866 -29.033 1.00 74.43 H new ATOM 0 HG2 PRO A 54 -28.122 -20.795 -31.640 1.00 74.30 H new ATOM 0 HG3 PRO A 54 -28.827 -20.830 -30.036 1.00 74.30 H new ATOM 0 HD2 PRO A 54 -29.478 -18.895 -31.838 1.00 11.32 H new ATOM 0 HD3 PRO A 54 -29.457 -18.572 -30.116 1.00 11.32 H new ATOM 816 N CYS A 55 -24.860 -17.911 -32.472 1.00 62.22 N ATOM 817 CA CYS A 55 -23.983 -18.052 -33.629 1.00 2.32 C ATOM 818 C CYS A 55 -22.518 -17.946 -33.216 1.00 0.00 C ATOM 819 O CYS A 55 -22.195 -17.377 -32.174 1.00 12.55 O ATOM 820 CB CYS A 55 -24.309 -16.985 -34.675 1.00 44.44 C ATOM 821 SG CYS A 55 -23.755 -17.402 -36.360 1.00 45.32 S ATOM 0 H CYS A 55 -24.902 -16.967 -32.087 1.00 62.22 H new ATOM 0 HA CYS A 55 -24.149 -19.038 -34.063 1.00 2.32 H new ATOM 0 HB2 CYS A 55 -25.387 -16.822 -34.688 1.00 44.44 H new ATOM 0 HB3 CYS A 55 -23.848 -16.044 -34.375 1.00 44.44 H new ATOM 827 N ASN A 56 -21.635 -18.497 -34.042 1.00 43.33 N ATOM 828 CA ASN A 56 -20.203 -18.464 -33.764 1.00 23.32 C ATOM 829 C ASN A 56 -19.489 -17.493 -34.698 1.00 31.41 C ATOM 830 O ASN A 56 -18.999 -17.883 -35.758 1.00 14.54 O ATOM 831 CB ASN A 56 -19.603 -19.864 -33.909 1.00 73.35 C ATOM 832 CG ASN A 56 -20.403 -20.917 -33.167 1.00 52.23 C ATOM 833 OD1 ASN A 56 -20.382 -20.975 -31.937 1.00 34.43 O ATOM 834 ND2 ASN A 56 -21.112 -21.757 -33.912 1.00 73.03 N ATOM 0 H ASN A 56 -21.885 -18.972 -34.909 1.00 43.33 H new ATOM 0 HA ASN A 56 -20.065 -18.121 -32.739 1.00 23.32 H new ATOM 0 HB2 ASN A 56 -19.554 -20.127 -34.966 1.00 73.35 H new ATOM 0 HB3 ASN A 56 -18.580 -19.858 -33.534 1.00 73.35 H new ATOM 0 HD21 ASN A 56 -21.669 -22.487 -33.468 1.00 73.03 H new ATOM 0 HD22 ASN A 56 -21.100 -21.672 -34.928 1.00 73.03 H new ATOM 941 N GLY A 62 -4.482 -13.743 -32.652 1.00 42.21 N ATOM 942 CA GLY A 62 -3.618 -12.606 -32.910 1.00 41.41 C ATOM 943 C GLY A 62 -2.160 -12.908 -32.623 1.00 74.42 C ATOM 944 O GLY A 62 -1.621 -13.907 -33.100 1.00 15.22 O ATOM 0 HA2 GLY A 62 -3.725 -12.302 -33.951 1.00 41.41 H new ATOM 0 HA3 GLY A 62 -3.939 -11.764 -32.297 1.00 41.41 H new ATOM 948 N ALA A 63 -1.521 -12.042 -31.844 1.00 43.24 N ATOM 949 CA ALA A 63 -0.116 -12.223 -31.495 1.00 55.21 C ATOM 950 C ALA A 63 0.066 -13.397 -30.540 1.00 20.00 C ATOM 951 O ALA A 63 1.066 -14.113 -30.605 1.00 13.21 O ATOM 952 CB ALA A 63 0.442 -10.947 -30.880 1.00 61.10 C ATOM 0 H ALA A 63 -1.952 -11.209 -31.443 1.00 43.24 H new ATOM 0 HA ALA A 63 0.435 -12.445 -32.409 1.00 55.21 H new ATOM 0 HB1 ALA A 63 1.491 -11.095 -30.624 1.00 61.10 H new ATOM 0 HB2 ALA A 63 0.355 -10.130 -31.596 1.00 61.10 H new ATOM 0 HB3 ALA A 63 -0.120 -10.701 -29.979 1.00 61.10 H new ATOM 958 N ASP A 64 -0.905 -13.588 -29.653 1.00 34.51 N ATOM 959 CA ASP A 64 -0.851 -14.677 -28.685 1.00 30.25 C ATOM 960 C ASP A 64 0.477 -14.674 -27.936 1.00 40.24 C ATOM 961 O ASP A 64 0.960 -15.720 -27.501 1.00 43.32 O ATOM 962 CB ASP A 64 -1.054 -16.022 -29.385 1.00 71.05 C ATOM 963 CG ASP A 64 -2.187 -16.826 -28.779 1.00 54.20 C ATOM 964 OD1 ASP A 64 -2.280 -16.875 -27.535 1.00 25.41 O ATOM 965 OD2 ASP A 64 -2.982 -17.404 -29.549 1.00 12.11 O ATOM 0 H ASP A 64 -1.738 -13.003 -29.585 1.00 34.51 H new ATOM 0 HA ASP A 64 -1.654 -14.528 -27.963 1.00 30.25 H new ATOM 0 HB2 ASP A 64 -1.259 -15.851 -30.442 1.00 71.05 H new ATOM 0 HB3 ASP A 64 -0.132 -16.600 -29.329 1.00 71.05 H new ATOM 970 N CYS A 65 1.065 -13.491 -27.790 1.00 75.02 N ATOM 971 CA CYS A 65 2.340 -13.351 -27.096 1.00 55.20 C ATOM 972 C CYS A 65 2.183 -12.500 -25.839 1.00 2.11 C ATOM 973 O CYS A 65 1.418 -11.535 -25.819 1.00 52.24 O ATOM 974 CB CYS A 65 3.383 -12.722 -28.023 1.00 22.13 C ATOM 975 SG CYS A 65 3.904 -13.801 -29.395 1.00 51.53 S ATOM 0 H CYS A 65 0.679 -12.615 -28.143 1.00 75.02 H new ATOM 0 HA CYS A 65 2.677 -14.345 -26.802 1.00 55.20 H new ATOM 0 HB2 CYS A 65 2.977 -11.798 -28.435 1.00 22.13 H new ATOM 0 HB3 CYS A 65 4.260 -12.451 -27.435 1.00 22.13 H new ATOM 981 N LYS A 66 2.913 -12.866 -24.790 1.00 32.04 N ATOM 982 CA LYS A 66 2.856 -12.137 -23.528 1.00 64.02 C ATOM 983 C LYS A 66 4.084 -11.248 -23.359 1.00 52.24 C ATOM 984 O LYS A 66 5.215 -11.734 -23.319 1.00 23.03 O ATOM 985 CB LYS A 66 2.758 -13.116 -22.355 1.00 3.45 C ATOM 986 CG LYS A 66 1.992 -12.563 -21.165 1.00 15.24 C ATOM 987 CD LYS A 66 2.914 -11.850 -20.191 1.00 2.13 C ATOM 988 CE LYS A 66 2.247 -11.652 -18.837 1.00 40.33 C ATOM 989 NZ LYS A 66 1.487 -10.373 -18.776 1.00 4.12 N ATOM 0 H LYS A 66 3.550 -13.662 -24.789 1.00 32.04 H new ATOM 0 HA LYS A 66 1.969 -11.504 -23.541 1.00 64.02 H new ATOM 0 HB2 LYS A 66 2.273 -14.031 -22.695 1.00 3.45 H new ATOM 0 HB3 LYS A 66 3.764 -13.388 -22.035 1.00 3.45 H new ATOM 0 HG2 LYS A 66 1.225 -11.871 -21.514 1.00 15.24 H new ATOM 0 HG3 LYS A 66 1.478 -13.376 -20.652 1.00 15.24 H new ATOM 0 HD2 LYS A 66 3.830 -12.427 -20.066 1.00 2.13 H new ATOM 0 HD3 LYS A 66 3.201 -10.882 -20.602 1.00 2.13 H new ATOM 0 HE2 LYS A 66 1.573 -12.485 -18.639 1.00 40.33 H new ATOM 0 HE3 LYS A 66 3.005 -11.662 -18.054 1.00 40.33 H new ATOM 0 HZ1 LYS A 66 1.048 -10.275 -17.839 1.00 4.12 H new ATOM 0 HZ2 LYS A 66 2.135 -9.576 -18.940 1.00 4.12 H new ATOM 0 HZ3 LYS A 66 0.747 -10.374 -19.507 1.00 4.12 H new ATOM 1003 N TYR A 67 3.854 -9.944 -23.259 1.00 13.51 N ATOM 1004 CA TYR A 67 4.941 -8.986 -23.095 1.00 53.44 C ATOM 1005 C TYR A 67 4.898 -8.344 -21.711 1.00 63.34 C ATOM 1006 O TYR A 67 3.836 -8.227 -21.101 1.00 1.15 O ATOM 1007 CB TYR A 67 4.863 -7.904 -24.174 1.00 4.24 C ATOM 1008 CG TYR A 67 5.125 -8.422 -25.570 1.00 0.01 C ATOM 1009 CD1 TYR A 67 6.421 -8.601 -26.034 1.00 45.23 C ATOM 1010 CD2 TYR A 67 4.075 -8.730 -26.425 1.00 33.13 C ATOM 1011 CE1 TYR A 67 6.665 -9.073 -27.309 1.00 61.33 C ATOM 1012 CE2 TYR A 67 4.309 -9.204 -27.701 1.00 73.43 C ATOM 1013 CZ TYR A 67 5.606 -9.373 -28.139 1.00 2.11 C ATOM 1014 OH TYR A 67 5.843 -9.844 -29.411 1.00 4.23 O ATOM 0 H TYR A 67 2.924 -9.526 -23.289 1.00 13.51 H new ATOM 0 HA TYR A 67 5.883 -9.524 -23.197 1.00 53.44 H new ATOM 0 HB2 TYR A 67 3.875 -7.445 -24.145 1.00 4.24 H new ATOM 0 HB3 TYR A 67 5.586 -7.121 -23.944 1.00 4.24 H new ATOM 0 HD1 TYR A 67 7.253 -8.367 -25.387 1.00 45.23 H new ATOM 0 HD2 TYR A 67 3.058 -8.597 -26.086 1.00 33.13 H new ATOM 0 HE1 TYR A 67 7.680 -9.206 -27.654 1.00 61.33 H new ATOM 0 HE2 TYR A 67 3.481 -9.441 -28.352 1.00 73.43 H new ATOM 0 HH TYR A 67 5.712 -10.815 -29.430 1.00 4.23 H new ATOM 1024 N LYS A 68 6.063 -7.929 -21.222 1.00 31.45 N ATOM 1025 CA LYS A 68 6.160 -7.297 -19.912 1.00 11.02 C ATOM 1026 C LYS A 68 6.529 -5.823 -20.045 1.00 35.25 C ATOM 1027 O LYS A 68 7.643 -5.484 -20.446 1.00 23.12 O ATOM 1028 CB LYS A 68 7.201 -8.018 -19.052 1.00 13.11 C ATOM 1029 CG LYS A 68 7.154 -7.627 -17.585 1.00 30.23 C ATOM 1030 CD LYS A 68 6.444 -8.680 -16.750 1.00 75.15 C ATOM 1031 CE LYS A 68 5.363 -8.063 -15.875 1.00 54.03 C ATOM 1032 NZ LYS A 68 5.096 -8.883 -14.662 1.00 25.10 N ATOM 0 H LYS A 68 6.952 -8.019 -21.714 1.00 31.45 H new ATOM 0 HA LYS A 68 5.185 -7.367 -19.429 1.00 11.02 H new ATOM 0 HB2 LYS A 68 7.049 -9.094 -19.138 1.00 13.11 H new ATOM 0 HB3 LYS A 68 8.195 -7.805 -19.445 1.00 13.11 H new ATOM 0 HG2 LYS A 68 8.169 -7.489 -17.212 1.00 30.23 H new ATOM 0 HG3 LYS A 68 6.642 -6.671 -17.479 1.00 30.23 H new ATOM 0 HD2 LYS A 68 5.999 -9.427 -17.407 1.00 75.15 H new ATOM 0 HD3 LYS A 68 7.169 -9.198 -16.123 1.00 75.15 H new ATOM 0 HE2 LYS A 68 5.667 -7.060 -15.576 1.00 54.03 H new ATOM 0 HE3 LYS A 68 4.444 -7.959 -16.452 1.00 54.03 H new ATOM 0 HZ1 LYS A 68 4.354 -8.429 -14.092 1.00 25.10 H new ATOM 0 HZ2 LYS A 68 4.781 -9.832 -14.947 1.00 25.10 H new ATOM 0 HZ3 LYS A 68 5.966 -8.962 -14.098 1.00 25.10 H new ATOM 1046 N PHE A 69 5.586 -4.949 -19.707 1.00 45.14 N ATOM 1047 CA PHE A 69 5.812 -3.511 -19.788 1.00 40.13 C ATOM 1048 C PHE A 69 5.920 -2.897 -18.396 1.00 4.24 C ATOM 1049 O PHE A 69 5.431 -3.461 -17.418 1.00 4.33 O ATOM 1050 CB PHE A 69 4.681 -2.838 -20.569 1.00 4.04 C ATOM 1051 CG PHE A 69 4.607 -3.265 -22.006 1.00 61.45 C ATOM 1052 CD1 PHE A 69 5.356 -2.617 -22.975 1.00 54.23 C ATOM 1053 CD2 PHE A 69 3.790 -4.316 -22.389 1.00 33.43 C ATOM 1054 CE1 PHE A 69 5.292 -3.008 -24.299 1.00 12.23 C ATOM 1055 CE2 PHE A 69 3.721 -4.712 -23.712 1.00 12.45 C ATOM 1056 CZ PHE A 69 4.471 -4.056 -24.668 1.00 51.51 C ATOM 0 H PHE A 69 4.658 -5.212 -19.374 1.00 45.14 H new ATOM 0 HA PHE A 69 6.754 -3.346 -20.312 1.00 40.13 H new ATOM 0 HB2 PHE A 69 3.732 -3.062 -20.083 1.00 4.04 H new ATOM 0 HB3 PHE A 69 4.814 -1.757 -20.526 1.00 4.04 H new ATOM 0 HD1 PHE A 69 5.998 -1.796 -22.692 1.00 54.23 H new ATOM 0 HD2 PHE A 69 3.200 -4.832 -21.646 1.00 33.43 H new ATOM 0 HE1 PHE A 69 5.883 -2.495 -25.044 1.00 12.23 H new ATOM 0 HE2 PHE A 69 3.081 -5.534 -23.997 1.00 12.45 H new ATOM 0 HZ PHE A 69 4.416 -4.362 -25.702 1.00 51.51 H new ATOM 1066 N GLY A 70 6.564 -1.737 -18.314 1.00 41.25 N ATOM 1067 CA GLY A 70 6.726 -1.065 -17.037 1.00 61.42 C ATOM 1068 C GLY A 70 6.367 0.406 -17.107 1.00 23.22 C ATOM 1069 O GLY A 70 5.323 0.821 -16.604 1.00 42.41 O ATOM 0 H GLY A 70 6.977 -1.250 -19.109 1.00 41.25 H new ATOM 0 HA2 GLY A 70 6.100 -1.554 -16.291 1.00 61.42 H new ATOM 0 HA3 GLY A 70 7.759 -1.168 -16.704 1.00 61.42 H new ATOM 1073 N ARG A 71 7.234 1.196 -17.730 1.00 42.34 N ATOM 1074 CA ARG A 71 7.005 2.630 -17.860 1.00 10.12 C ATOM 1075 C ARG A 71 7.164 3.077 -19.310 1.00 62.34 C ATOM 1076 O ARG A 71 7.122 2.259 -20.231 1.00 3.44 O ATOM 1077 CB ARG A 71 7.974 3.406 -16.967 1.00 74.20 C ATOM 1078 CG ARG A 71 8.118 2.822 -15.571 1.00 51.11 C ATOM 1079 CD ARG A 71 7.860 3.869 -14.500 1.00 65.11 C ATOM 1080 NE ARG A 71 9.045 4.678 -14.228 1.00 70.54 N ATOM 1081 CZ ARG A 71 10.115 4.223 -13.585 1.00 12.03 C ATOM 1082 NH1 ARG A 71 10.147 2.971 -13.149 1.00 21.22 N ATOM 1083 NH2 ARG A 71 11.155 5.020 -13.378 1.00 3.45 N ATOM 0 H ARG A 71 8.102 0.868 -18.153 1.00 42.34 H new ATOM 0 HA ARG A 71 5.983 2.839 -17.543 1.00 10.12 H new ATOM 0 HB2 ARG A 71 8.954 3.430 -17.444 1.00 74.20 H new ATOM 0 HB3 ARG A 71 7.633 4.438 -16.886 1.00 74.20 H new ATOM 0 HG2 ARG A 71 7.420 1.994 -15.448 1.00 51.11 H new ATOM 0 HG3 ARG A 71 9.121 2.414 -15.448 1.00 51.11 H new ATOM 0 HD2 ARG A 71 7.043 4.518 -14.817 1.00 65.11 H new ATOM 0 HD3 ARG A 71 7.539 3.377 -13.582 1.00 65.11 H new ATOM 0 HE ARG A 71 9.052 5.646 -14.549 1.00 70.54 H new ATOM 0 HH11 ARG A 71 9.349 2.355 -13.307 1.00 21.22 H new ATOM 0 HH12 ARG A 71 10.969 2.624 -12.656 1.00 21.22 H new ATOM 0 HH21 ARG A 71 11.134 5.983 -13.713 1.00 3.45 H new ATOM 0 HH22 ARG A 71 11.976 4.670 -12.884 1.00 3.45 H new ATOM 1097 N TRP A 72 7.346 4.378 -19.507 1.00 63.43 N ATOM 1098 CA TRP A 72 7.511 4.932 -20.845 1.00 51.45 C ATOM 1099 C TRP A 72 8.697 5.891 -20.895 1.00 11.01 C ATOM 1100 O TRP A 72 8.922 6.561 -21.902 1.00 51.04 O ATOM 1101 CB TRP A 72 6.237 5.655 -21.280 1.00 34.52 C ATOM 1102 CG TRP A 72 5.245 4.757 -21.955 1.00 32.24 C ATOM 1103 CD1 TRP A 72 4.044 4.339 -21.456 1.00 15.43 C ATOM 1104 CD2 TRP A 72 5.370 4.162 -23.252 1.00 54.32 C ATOM 1105 NE1 TRP A 72 3.415 3.522 -22.364 1.00 31.11 N ATOM 1106 CE2 TRP A 72 4.207 3.399 -23.474 1.00 24.31 C ATOM 1107 CE3 TRP A 72 6.350 4.202 -24.247 1.00 75.20 C ATOM 1108 CZ2 TRP A 72 4.002 2.681 -24.650 1.00 35.14 C ATOM 1109 CZ3 TRP A 72 6.144 3.490 -25.414 1.00 10.45 C ATOM 1110 CH2 TRP A 72 4.978 2.739 -25.608 1.00 0.35 C ATOM 0 H TRP A 72 7.383 5.068 -18.757 1.00 63.43 H new ATOM 0 HA TRP A 72 7.705 4.108 -21.531 1.00 51.45 H new ATOM 0 HB2 TRP A 72 5.769 6.109 -20.406 1.00 34.52 H new ATOM 0 HB3 TRP A 72 6.502 6.466 -21.958 1.00 34.52 H new ATOM 0 HD1 TRP A 72 3.647 4.611 -20.489 1.00 15.43 H new ATOM 0 HE1 TRP A 72 2.506 3.079 -22.233 1.00 31.11 H new ATOM 0 HE3 TRP A 72 7.252 4.779 -24.107 1.00 75.20 H new ATOM 0 HZ2 TRP A 72 3.105 2.099 -24.801 1.00 35.14 H new ATOM 0 HZ3 TRP A 72 6.895 3.513 -26.189 1.00 10.45 H new ATOM 0 HH2 TRP A 72 4.846 2.195 -26.532 1.00 0.35 H new ATOM 1121 N ALA A 73 9.450 5.950 -19.801 1.00 73.43 N ATOM 1122 CA ALA A 73 10.613 6.825 -19.722 1.00 74.05 C ATOM 1123 C ALA A 73 10.242 8.264 -20.069 1.00 0.34 C ATOM 1124 O ALA A 73 9.071 8.580 -20.274 1.00 74.42 O ATOM 1125 CB ALA A 73 11.713 6.326 -20.647 1.00 43.32 C ATOM 0 H ALA A 73 9.275 5.403 -18.958 1.00 73.43 H new ATOM 0 HA ALA A 73 10.980 6.808 -18.696 1.00 74.05 H new ATOM 0 HB1 ALA A 73 12.575 6.989 -20.578 1.00 43.32 H new ATOM 0 HB2 ALA A 73 12.006 5.318 -20.353 1.00 43.32 H new ATOM 0 HB3 ALA A 73 11.347 6.313 -21.674 1.00 43.32 H new ATOM 1131 N GLU A 74 11.248 9.131 -20.129 1.00 71.41 N ATOM 1132 CA GLU A 74 11.026 10.536 -20.448 1.00 12.44 C ATOM 1133 C GLU A 74 11.216 10.792 -21.941 1.00 31.04 C ATOM 1134 O GLU A 74 11.609 9.898 -22.690 1.00 71.23 O ATOM 1135 CB GLU A 74 11.979 11.422 -19.643 1.00 4.35 C ATOM 1136 CG GLU A 74 11.819 11.277 -18.139 1.00 52.53 C ATOM 1137 CD GLU A 74 10.676 12.109 -17.590 1.00 40.13 C ATOM 1138 OE1 GLU A 74 10.465 13.232 -18.093 1.00 74.35 O ATOM 1139 OE2 GLU A 74 9.993 11.637 -16.657 1.00 53.42 O ATOM 0 H GLU A 74 12.224 8.885 -19.961 1.00 71.41 H new ATOM 0 HA GLU A 74 9.998 10.784 -20.182 1.00 12.44 H new ATOM 0 HB2 GLU A 74 13.006 11.179 -19.916 1.00 4.35 H new ATOM 0 HB3 GLU A 74 11.814 12.464 -19.919 1.00 4.35 H new ATOM 0 HG2 GLU A 74 11.650 10.228 -17.895 1.00 52.53 H new ATOM 0 HG3 GLU A 74 12.747 11.573 -17.649 1.00 52.53 H new ATOM 1146 N CYS A 75 10.932 12.019 -22.366 1.00 1.15 N ATOM 1147 CA CYS A 75 11.069 12.394 -23.768 1.00 12.14 C ATOM 1148 C CYS A 75 12.309 13.257 -23.980 1.00 33.13 C ATOM 1149 O CYS A 75 12.992 13.628 -23.025 1.00 24.33 O ATOM 1150 CB CYS A 75 9.823 13.146 -24.241 1.00 1.24 C ATOM 1151 SG CYS A 75 8.252 12.383 -23.722 1.00 64.45 S ATOM 0 H CYS A 75 10.605 12.771 -21.759 1.00 1.15 H new ATOM 0 HA CYS A 75 11.178 11.481 -24.354 1.00 12.14 H new ATOM 0 HB2 CYS A 75 9.862 14.167 -23.861 1.00 1.24 H new ATOM 0 HB3 CYS A 75 9.842 13.210 -25.329 1.00 1.24 H new ATOM 1157 N ASP A 76 12.593 13.575 -25.239 1.00 4.32 N ATOM 1158 CA ASP A 76 13.749 14.397 -25.578 1.00 63.41 C ATOM 1159 C ASP A 76 13.340 15.850 -25.787 1.00 55.14 C ATOM 1160 O ASP A 76 12.318 16.136 -26.412 1.00 12.41 O ATOM 1161 CB ASP A 76 14.431 13.859 -26.837 1.00 4.21 C ATOM 1162 CG ASP A 76 15.772 13.218 -26.539 1.00 64.22 C ATOM 1163 OD1 ASP A 76 16.773 13.957 -26.429 1.00 22.21 O ATOM 1164 OD2 ASP A 76 15.821 11.976 -26.416 1.00 45.21 O ATOM 0 H ASP A 76 12.038 13.276 -26.041 1.00 4.32 H new ATOM 0 HA ASP A 76 14.452 14.353 -24.746 1.00 63.41 H new ATOM 0 HB2 ASP A 76 13.780 13.127 -27.315 1.00 4.21 H new ATOM 0 HB3 ASP A 76 14.571 14.674 -27.548 1.00 4.21 H new ATOM 1169 N THR A 77 14.145 16.769 -25.260 1.00 3.32 N ATOM 1170 CA THR A 77 13.866 18.193 -25.387 1.00 71.20 C ATOM 1171 C THR A 77 13.941 18.641 -26.842 1.00 71.34 C ATOM 1172 O THR A 77 13.558 19.762 -27.180 1.00 41.21 O ATOM 1173 CB THR A 77 14.848 19.035 -24.551 1.00 44.11 C ATOM 1174 OG1 THR A 77 16.004 18.256 -24.222 1.00 60.22 O ATOM 1175 CG2 THR A 77 14.186 19.532 -23.275 1.00 10.03 C ATOM 0 H THR A 77 14.996 16.551 -24.741 1.00 3.32 H new ATOM 0 HA THR A 77 12.854 18.351 -25.013 1.00 71.20 H new ATOM 0 HB THR A 77 15.148 19.898 -25.145 1.00 44.11 H new ATOM 0 HG1 THR A 77 16.624 18.799 -23.692 1.00 60.22 H new ATOM 0 HG21 THR A 77 14.899 20.124 -22.702 1.00 10.03 H new ATOM 0 HG22 THR A 77 13.324 20.149 -23.529 1.00 10.03 H new ATOM 0 HG23 THR A 77 13.860 18.680 -22.679 1.00 10.03 H new ATOM 1183 N THR A 78 14.439 17.758 -27.703 1.00 21.11 N ATOM 1184 CA THR A 78 14.565 18.062 -29.123 1.00 61.12 C ATOM 1185 C THR A 78 13.436 17.425 -29.924 1.00 35.13 C ATOM 1186 O THR A 78 12.480 18.097 -30.314 1.00 51.41 O ATOM 1187 CB THR A 78 15.915 17.576 -29.684 1.00 5.32 C ATOM 1188 OG1 THR A 78 16.510 16.635 -28.782 1.00 33.41 O ATOM 1189 CG2 THR A 78 16.863 18.746 -29.901 1.00 42.44 C ATOM 0 H THR A 78 14.762 16.826 -27.441 1.00 21.11 H new ATOM 0 HA THR A 78 14.509 19.146 -29.220 1.00 61.12 H new ATOM 0 HB THR A 78 15.732 17.093 -30.644 1.00 5.32 H new ATOM 0 HG1 THR A 78 17.367 16.329 -29.146 1.00 33.41 H new ATOM 0 HG21 THR A 78 17.810 18.379 -30.297 1.00 42.44 H new ATOM 0 HG22 THR A 78 16.420 19.446 -30.609 1.00 42.44 H new ATOM 0 HG23 THR A 78 17.039 19.252 -28.952 1.00 42.44 H new ATOM 1197 N THR A 79 13.550 16.123 -30.168 1.00 51.24 N ATOM 1198 CA THR A 79 12.539 15.396 -30.925 1.00 64.15 C ATOM 1199 C THR A 79 11.223 15.329 -30.159 1.00 63.22 C ATOM 1200 O THR A 79 10.146 15.345 -30.755 1.00 43.00 O ATOM 1201 CB THR A 79 13.004 13.963 -31.250 1.00 1.12 C ATOM 1202 OG1 THR A 79 11.907 13.195 -31.757 1.00 12.15 O ATOM 1203 CG2 THR A 79 13.576 13.286 -30.013 1.00 53.00 C ATOM 0 H THR A 79 14.333 15.551 -29.852 1.00 51.24 H new ATOM 0 HA THR A 79 12.387 15.941 -31.857 1.00 64.15 H new ATOM 0 HB THR A 79 13.786 14.021 -32.007 1.00 1.12 H new ATOM 0 HG1 THR A 79 11.427 12.779 -31.011 1.00 12.15 H new ATOM 0 HG21 THR A 79 13.897 12.276 -30.267 1.00 53.00 H new ATOM 0 HG22 THR A 79 14.429 13.857 -29.647 1.00 53.00 H new ATOM 0 HG23 THR A 79 12.811 13.239 -29.237 1.00 53.00 H new ATOM 1211 N GLY A 80 11.316 15.255 -28.835 1.00 40.51 N ATOM 1212 CA GLY A 80 10.124 15.188 -28.010 1.00 71.34 C ATOM 1213 C GLY A 80 9.438 13.839 -28.091 1.00 62.10 C ATOM 1214 O GLY A 80 8.214 13.760 -28.197 1.00 13.54 O ATOM 0 H GLY A 80 12.196 15.240 -28.319 1.00 40.51 H new ATOM 0 HA2 GLY A 80 10.391 15.395 -26.974 1.00 71.34 H new ATOM 0 HA3 GLY A 80 9.427 15.966 -28.321 1.00 71.34 H new ATOM 1218 N THR A 81 10.229 12.772 -28.043 1.00 25.54 N ATOM 1219 CA THR A 81 9.691 11.418 -28.115 1.00 4.42 C ATOM 1220 C THR A 81 10.245 10.547 -26.992 1.00 54.23 C ATOM 1221 O THR A 81 11.343 10.787 -26.491 1.00 71.14 O ATOM 1222 CB THR A 81 10.012 10.757 -29.468 1.00 51.11 C ATOM 1223 OG1 THR A 81 11.121 11.420 -30.086 1.00 24.44 O ATOM 1224 CG2 THR A 81 8.806 10.807 -30.393 1.00 32.32 C ATOM 0 H THR A 81 11.244 12.819 -27.955 1.00 25.54 H new ATOM 0 HA THR A 81 8.609 11.501 -28.008 1.00 4.42 H new ATOM 0 HB THR A 81 10.268 9.713 -29.286 1.00 51.11 H new ATOM 0 HG1 THR A 81 11.391 10.927 -30.889 1.00 24.44 H new ATOM 0 HG21 THR A 81 9.056 10.334 -31.343 1.00 32.32 H new ATOM 0 HG22 THR A 81 7.972 10.277 -29.933 1.00 32.32 H new ATOM 0 HG23 THR A 81 8.524 11.845 -30.568 1.00 32.32 H new ATOM 1232 N ARG A 82 9.478 9.534 -26.603 1.00 32.34 N ATOM 1233 CA ARG A 82 9.891 8.627 -25.540 1.00 41.32 C ATOM 1234 C ARG A 82 9.702 7.173 -25.962 1.00 65.13 C ATOM 1235 O ARG A 82 8.605 6.762 -26.338 1.00 11.30 O ATOM 1236 CB ARG A 82 9.096 8.906 -24.264 1.00 11.53 C ATOM 1237 CG ARG A 82 7.595 8.989 -24.487 1.00 1.32 C ATOM 1238 CD ARG A 82 6.824 8.692 -23.211 1.00 21.04 C ATOM 1239 NE ARG A 82 5.989 9.817 -22.801 1.00 13.14 N ATOM 1240 CZ ARG A 82 4.786 10.064 -23.310 1.00 62.14 C ATOM 1241 NH1 ARG A 82 4.283 9.269 -24.245 1.00 43.32 N ATOM 1242 NH2 ARG A 82 4.087 11.109 -22.885 1.00 30.40 N ATOM 0 H ARG A 82 8.567 9.321 -27.009 1.00 32.34 H new ATOM 0 HA ARG A 82 10.950 8.796 -25.344 1.00 41.32 H new ATOM 0 HB2 ARG A 82 9.304 8.120 -23.538 1.00 11.53 H new ATOM 0 HB3 ARG A 82 9.442 9.843 -23.828 1.00 11.53 H new ATOM 0 HG2 ARG A 82 7.334 9.984 -24.847 1.00 1.32 H new ATOM 0 HG3 ARG A 82 7.302 8.282 -25.263 1.00 1.32 H new ATOM 0 HD2 ARG A 82 6.198 7.812 -23.362 1.00 21.04 H new ATOM 0 HD3 ARG A 82 7.525 8.451 -22.412 1.00 21.04 H new ATOM 0 HE ARG A 82 6.348 10.448 -22.085 1.00 13.14 H new ATOM 0 HH11 ARG A 82 4.819 8.466 -24.575 1.00 43.32 H new ATOM 0 HH12 ARG A 82 3.360 9.460 -24.634 1.00 43.32 H new ATOM 0 HH21 ARG A 82 4.473 11.723 -22.168 1.00 30.40 H new ATOM 0 HH22 ARG A 82 3.164 11.298 -23.276 1.00 30.40 H new ATOM 1256 N SER A 83 10.780 6.398 -25.896 1.00 42.04 N ATOM 1257 CA SER A 83 10.735 4.991 -26.275 1.00 43.02 C ATOM 1258 C SER A 83 10.806 4.093 -25.043 1.00 11.12 C ATOM 1259 O SER A 83 11.434 4.442 -24.042 1.00 34.12 O ATOM 1260 CB SER A 83 11.886 4.660 -27.227 1.00 31.45 C ATOM 1261 OG SER A 83 13.139 4.946 -26.633 1.00 44.32 O ATOM 0 H SER A 83 11.696 6.721 -25.583 1.00 42.04 H new ATOM 0 HA SER A 83 9.788 4.808 -26.783 1.00 43.02 H new ATOM 0 HB2 SER A 83 11.843 3.606 -27.502 1.00 31.45 H new ATOM 0 HB3 SER A 83 11.777 5.234 -28.147 1.00 31.45 H new ATOM 0 HG SER A 83 13.857 4.724 -27.262 1.00 44.32 H new ATOM 1267 N ARG A 84 10.157 2.936 -25.123 1.00 53.23 N ATOM 1268 CA ARG A 84 10.146 1.989 -24.015 1.00 1.34 C ATOM 1269 C ARG A 84 10.496 0.584 -24.496 1.00 74.35 C ATOM 1270 O ARG A 84 10.081 0.166 -25.577 1.00 34.34 O ATOM 1271 CB ARG A 84 8.773 1.981 -23.338 1.00 24.21 C ATOM 1272 CG ARG A 84 8.568 0.808 -22.393 1.00 30.41 C ATOM 1273 CD ARG A 84 9.564 0.835 -21.246 1.00 10.40 C ATOM 1274 NE ARG A 84 9.707 -0.473 -20.613 1.00 20.03 N ATOM 1275 CZ ARG A 84 10.249 -0.655 -19.414 1.00 70.21 C ATOM 1276 NH1 ARG A 84 10.698 0.384 -18.722 1.00 64.32 N ATOM 1277 NH2 ARG A 84 10.345 -1.877 -18.905 1.00 13.55 N ATOM 0 H ARG A 84 9.632 2.632 -25.943 1.00 53.23 H new ATOM 0 HA ARG A 84 10.899 2.304 -23.293 1.00 1.34 H new ATOM 0 HB2 ARG A 84 8.645 2.911 -22.783 1.00 24.21 H new ATOM 0 HB3 ARG A 84 7.999 1.959 -24.105 1.00 24.21 H new ATOM 0 HG2 ARG A 84 7.553 0.833 -21.996 1.00 30.41 H new ATOM 0 HG3 ARG A 84 8.672 -0.127 -22.944 1.00 30.41 H new ATOM 0 HD2 ARG A 84 10.534 1.166 -21.616 1.00 10.40 H new ATOM 0 HD3 ARG A 84 9.241 1.564 -20.503 1.00 10.40 H new ATOM 0 HE ARG A 84 9.372 -1.292 -21.120 1.00 20.03 H new ATOM 0 HH11 ARG A 84 10.627 1.324 -19.110 1.00 64.32 H new ATOM 0 HH12 ARG A 84 11.114 0.242 -17.801 1.00 64.32 H new ATOM 0 HH21 ARG A 84 10.002 -2.678 -19.435 1.00 13.55 H new ATOM 0 HH22 ARG A 84 10.762 -2.015 -17.984 1.00 13.55 H new ATOM 1291 N SER A 85 11.263 -0.140 -23.688 1.00 3.53 N ATOM 1292 CA SER A 85 11.672 -1.495 -24.032 1.00 62.22 C ATOM 1293 C SER A 85 11.021 -2.514 -23.101 1.00 54.13 C ATOM 1294 O SER A 85 11.138 -2.420 -21.881 1.00 54.54 O ATOM 1295 CB SER A 85 13.195 -1.624 -23.962 1.00 23.13 C ATOM 1296 OG SER A 85 13.620 -2.904 -24.397 1.00 3.32 O ATOM 0 H SER A 85 11.614 0.190 -22.789 1.00 3.53 H new ATOM 0 HA SER A 85 11.343 -1.699 -25.051 1.00 62.22 H new ATOM 0 HB2 SER A 85 13.657 -0.855 -24.581 1.00 23.13 H new ATOM 0 HB3 SER A 85 13.531 -1.454 -22.939 1.00 23.13 H new ATOM 0 HG SER A 85 14.597 -2.960 -24.344 1.00 3.32 H new ATOM 1302 N GLY A 86 10.333 -3.488 -23.690 1.00 0.23 N ATOM 1303 CA GLY A 86 9.672 -4.511 -22.899 1.00 54.22 C ATOM 1304 C GLY A 86 10.285 -5.883 -23.098 1.00 32.34 C ATOM 1305 O GLY A 86 10.920 -6.146 -24.119 1.00 61.33 O ATOM 0 H GLY A 86 10.222 -3.587 -24.699 1.00 0.23 H new ATOM 0 HA2 GLY A 86 9.726 -4.242 -21.844 1.00 54.22 H new ATOM 0 HA3 GLY A 86 8.616 -4.546 -23.165 1.00 54.22 H new ATOM 1309 N THR A 87 10.094 -6.762 -22.118 1.00 41.44 N ATOM 1310 CA THR A 87 10.635 -8.113 -22.188 1.00 15.22 C ATOM 1311 C THR A 87 9.522 -9.154 -22.135 1.00 1.51 C ATOM 1312 O THR A 87 8.719 -9.170 -21.201 1.00 21.22 O ATOM 1313 CB THR A 87 11.629 -8.380 -21.043 1.00 22.21 C ATOM 1314 OG1 THR A 87 11.278 -7.598 -19.896 1.00 11.32 O ATOM 1315 CG2 THR A 87 13.051 -8.051 -21.472 1.00 43.11 C ATOM 0 H THR A 87 9.569 -6.562 -21.267 1.00 41.44 H new ATOM 0 HA THR A 87 11.160 -8.195 -23.140 1.00 15.22 H new ATOM 0 HB THR A 87 11.579 -9.439 -20.789 1.00 22.21 H new ATOM 0 HG1 THR A 87 11.914 -7.775 -19.172 1.00 11.32 H new ATOM 0 HG21 THR A 87 13.735 -8.248 -20.646 1.00 43.11 H new ATOM 0 HG22 THR A 87 13.326 -8.670 -22.326 1.00 43.11 H new ATOM 0 HG23 THR A 87 13.113 -6.999 -21.751 1.00 43.11 H new ATOM 1323 N LEU A 88 9.481 -10.021 -23.140 1.00 2.31 N ATOM 1324 CA LEU A 88 8.466 -11.067 -23.205 1.00 52.03 C ATOM 1325 C LEU A 88 9.032 -12.405 -22.739 1.00 53.21 C ATOM 1326 O LEU A 88 10.188 -12.731 -23.009 1.00 42.34 O ATOM 1327 CB LEU A 88 7.932 -11.196 -24.633 1.00 23.42 C ATOM 1328 CG LEU A 88 7.922 -12.608 -25.221 1.00 4.54 C ATOM 1329 CD1 LEU A 88 6.728 -12.793 -26.144 1.00 20.13 C ATOM 1330 CD2 LEU A 88 9.220 -12.886 -25.963 1.00 74.23 C ATOM 0 H LEU A 88 10.138 -10.021 -23.920 1.00 2.31 H new ATOM 0 HA LEU A 88 7.648 -10.789 -22.540 1.00 52.03 H new ATOM 0 HB2 LEU A 88 6.914 -10.808 -24.655 1.00 23.42 H new ATOM 0 HB3 LEU A 88 8.531 -10.558 -25.283 1.00 23.42 H new ATOM 0 HG LEU A 88 7.836 -13.322 -24.402 1.00 4.54 H new ATOM 0 HD11 LEU A 88 6.737 -13.803 -26.553 1.00 20.13 H new ATOM 0 HD12 LEU A 88 5.807 -12.637 -25.583 1.00 20.13 H new ATOM 0 HD13 LEU A 88 6.783 -12.071 -26.959 1.00 20.13 H new ATOM 0 HD21 LEU A 88 9.195 -13.895 -26.375 1.00 74.23 H new ATOM 0 HD22 LEU A 88 9.337 -12.166 -26.773 1.00 74.23 H new ATOM 0 HD23 LEU A 88 10.060 -12.796 -25.274 1.00 74.23 H new ATOM 1342 N LYS A 89 8.207 -13.178 -22.040 1.00 43.44 N ATOM 1343 CA LYS A 89 8.623 -14.482 -21.537 1.00 52.02 C ATOM 1344 C LYS A 89 7.814 -15.599 -22.190 1.00 53.13 C ATOM 1345 O LYS A 89 8.348 -16.662 -22.507 1.00 61.41 O ATOM 1346 CB LYS A 89 8.461 -14.542 -20.017 1.00 34.35 C ATOM 1347 CG LYS A 89 9.684 -14.060 -19.255 1.00 14.15 C ATOM 1348 CD LYS A 89 9.547 -14.315 -17.763 1.00 54.00 C ATOM 1349 CE LYS A 89 8.780 -13.197 -17.075 1.00 42.51 C ATOM 1350 NZ LYS A 89 8.760 -13.368 -15.596 1.00 1.43 N ATOM 0 H LYS A 89 7.247 -12.924 -21.809 1.00 43.44 H new ATOM 0 HA LYS A 89 9.674 -14.622 -21.789 1.00 52.02 H new ATOM 0 HB2 LYS A 89 7.601 -13.937 -19.728 1.00 34.35 H new ATOM 0 HB3 LYS A 89 8.242 -15.569 -19.724 1.00 34.35 H new ATOM 0 HG2 LYS A 89 10.572 -14.567 -19.632 1.00 14.15 H new ATOM 0 HG3 LYS A 89 9.827 -12.994 -19.431 1.00 14.15 H new ATOM 0 HD2 LYS A 89 9.034 -15.263 -17.600 1.00 54.00 H new ATOM 0 HD3 LYS A 89 10.537 -14.407 -17.316 1.00 54.00 H new ATOM 0 HE2 LYS A 89 9.234 -12.238 -17.324 1.00 42.51 H new ATOM 0 HE3 LYS A 89 7.757 -13.172 -17.452 1.00 42.51 H new ATOM 0 HZ1 LYS A 89 8.228 -12.586 -15.163 1.00 1.43 H new ATOM 0 HZ2 LYS A 89 8.304 -14.271 -15.357 1.00 1.43 H new ATOM 0 HZ3 LYS A 89 9.735 -13.366 -15.233 1.00 1.43 H new ATOM 1364 N LYS A 90 6.524 -15.349 -22.389 1.00 65.32 N ATOM 1365 CA LYS A 90 5.641 -16.333 -23.007 1.00 41.44 C ATOM 1366 C LYS A 90 5.427 -16.019 -24.484 1.00 51.04 C ATOM 1367 O LYS A 90 5.026 -14.912 -24.841 1.00 65.12 O ATOM 1368 CB LYS A 90 4.294 -16.366 -22.281 1.00 41.11 C ATOM 1369 CG LYS A 90 4.305 -17.211 -21.018 1.00 14.53 C ATOM 1370 CD LYS A 90 3.598 -18.538 -21.231 1.00 23.54 C ATOM 1371 CE LYS A 90 4.474 -19.709 -20.813 1.00 41.02 C ATOM 1372 NZ LYS A 90 3.669 -20.845 -20.286 1.00 21.43 N ATOM 0 H LYS A 90 6.067 -14.474 -22.132 1.00 65.32 H new ATOM 0 HA LYS A 90 6.114 -17.312 -22.926 1.00 41.44 H new ATOM 0 HB2 LYS A 90 4.004 -15.347 -22.024 1.00 41.11 H new ATOM 0 HB3 LYS A 90 3.534 -16.752 -22.960 1.00 41.11 H new ATOM 0 HG2 LYS A 90 5.334 -17.391 -20.708 1.00 14.53 H new ATOM 0 HG3 LYS A 90 3.820 -16.665 -20.209 1.00 14.53 H new ATOM 0 HD2 LYS A 90 2.671 -18.553 -20.659 1.00 23.54 H new ATOM 0 HD3 LYS A 90 3.326 -18.642 -22.281 1.00 23.54 H new ATOM 0 HE2 LYS A 90 5.061 -20.046 -21.667 1.00 41.02 H new ATOM 0 HE3 LYS A 90 5.180 -19.380 -20.051 1.00 41.02 H new ATOM 0 HZ1 LYS A 90 4.303 -21.622 -20.012 1.00 21.43 H new ATOM 0 HZ2 LYS A 90 3.128 -20.531 -19.455 1.00 21.43 H new ATOM 0 HZ3 LYS A 90 3.013 -21.176 -21.022 1.00 21.43 H new ATOM 1386 N ALA A 91 5.696 -17.001 -25.338 1.00 43.03 N ATOM 1387 CA ALA A 91 5.530 -16.830 -26.775 1.00 23.42 C ATOM 1388 C ALA A 91 4.250 -17.501 -27.263 1.00 31.24 C ATOM 1389 O ALA A 91 3.299 -16.828 -27.664 1.00 73.54 O ATOM 1390 CB ALA A 91 6.735 -17.390 -27.517 1.00 44.22 C ATOM 0 H ALA A 91 6.030 -17.923 -25.059 1.00 43.03 H new ATOM 0 HA ALA A 91 5.453 -15.763 -26.982 1.00 23.42 H new ATOM 0 HB1 ALA A 91 6.597 -17.255 -28.590 1.00 44.22 H new ATOM 0 HB2 ALA A 91 7.635 -16.864 -27.198 1.00 44.22 H new ATOM 0 HB3 ALA A 91 6.837 -18.452 -27.295 1.00 44.22 H new ATOM 1396 N LEU A 92 4.231 -18.828 -27.226 1.00 20.23 N ATOM 1397 CA LEU A 92 3.067 -19.591 -27.665 1.00 43.51 C ATOM 1398 C LEU A 92 2.919 -19.534 -29.181 1.00 73.44 C ATOM 1399 O LEU A 92 3.112 -20.534 -29.872 1.00 24.44 O ATOM 1400 CB LEU A 92 1.800 -19.053 -26.997 1.00 52.13 C ATOM 1401 CG LEU A 92 1.931 -18.661 -25.525 1.00 24.45 C ATOM 1402 CD1 LEU A 92 0.576 -18.277 -24.951 1.00 21.22 C ATOM 1403 CD2 LEU A 92 2.547 -19.799 -24.723 1.00 71.14 C ATOM 0 H LEU A 92 5.009 -19.399 -26.896 1.00 20.23 H new ATOM 0 HA LEU A 92 3.212 -20.631 -27.372 1.00 43.51 H new ATOM 0 HB2 LEU A 92 1.462 -18.180 -27.556 1.00 52.13 H new ATOM 0 HB3 LEU A 92 1.019 -19.809 -27.083 1.00 52.13 H new ATOM 0 HG LEU A 92 2.590 -17.795 -25.458 1.00 24.45 H new ATOM 0 HD11 LEU A 92 0.690 -18.001 -23.903 1.00 21.22 H new ATOM 0 HD12 LEU A 92 0.172 -17.431 -25.507 1.00 21.22 H new ATOM 0 HD13 LEU A 92 -0.106 -19.123 -25.031 1.00 21.22 H new ATOM 0 HD21 LEU A 92 2.633 -19.503 -23.678 1.00 71.14 H new ATOM 0 HD22 LEU A 92 1.913 -20.682 -24.799 1.00 71.14 H new ATOM 0 HD23 LEU A 92 3.537 -20.028 -25.118 1.00 71.14 H new ATOM 1415 N PHE A 93 2.578 -18.356 -29.694 1.00 50.23 N ATOM 1416 CA PHE A 93 2.407 -18.168 -31.130 1.00 0.13 C ATOM 1417 C PHE A 93 3.732 -18.345 -31.865 1.00 44.44 C ATOM 1418 O PHE A 93 4.776 -17.890 -31.399 1.00 62.24 O ATOM 1419 CB PHE A 93 1.831 -16.780 -31.419 1.00 42.02 C ATOM 1420 CG PHE A 93 1.813 -16.430 -32.879 1.00 64.44 C ATOM 1421 CD1 PHE A 93 0.944 -17.071 -33.747 1.00 73.24 C ATOM 1422 CD2 PHE A 93 2.666 -15.461 -33.384 1.00 22.43 C ATOM 1423 CE1 PHE A 93 0.926 -16.752 -35.092 1.00 72.23 C ATOM 1424 CE2 PHE A 93 2.651 -15.138 -34.728 1.00 45.45 C ATOM 1425 CZ PHE A 93 1.780 -15.783 -35.583 1.00 22.12 C ATOM 0 H PHE A 93 2.415 -17.518 -29.137 1.00 50.23 H new ATOM 0 HA PHE A 93 1.710 -18.925 -31.489 1.00 0.13 H new ATOM 0 HB2 PHE A 93 0.814 -16.729 -31.029 1.00 42.02 H new ATOM 0 HB3 PHE A 93 2.416 -16.034 -30.882 1.00 42.02 H new ATOM 0 HD1 PHE A 93 0.273 -17.828 -33.369 1.00 73.24 H new ATOM 0 HD2 PHE A 93 3.350 -14.953 -32.720 1.00 22.43 H new ATOM 0 HE1 PHE A 93 0.245 -17.260 -35.759 1.00 72.23 H new ATOM 0 HE2 PHE A 93 3.321 -14.381 -35.109 1.00 45.45 H new ATOM 0 HZ PHE A 93 1.766 -15.531 -36.633 1.00 22.12 H new ATOM 1435 N ASN A 94 3.681 -19.009 -33.015 1.00 44.42 N ATOM 1436 CA ASN A 94 4.877 -19.248 -33.813 1.00 42.02 C ATOM 1437 C ASN A 94 5.982 -19.874 -32.967 1.00 13.55 C ATOM 1438 O ASN A 94 5.751 -20.274 -31.826 1.00 32.13 O ATOM 1439 CB ASN A 94 5.373 -17.938 -34.431 1.00 1.15 C ATOM 1440 CG ASN A 94 5.526 -18.031 -35.938 1.00 5.35 C ATOM 1441 OD1 ASN A 94 4.725 -18.675 -36.615 1.00 52.00 O ATOM 1442 ND2 ASN A 94 6.559 -17.387 -36.467 1.00 72.53 N ATOM 0 H ASN A 94 2.824 -19.391 -33.415 1.00 44.42 H new ATOM 0 HA ASN A 94 4.617 -19.944 -34.611 1.00 42.02 H new ATOM 0 HB2 ASN A 94 4.674 -17.137 -34.188 1.00 1.15 H new ATOM 0 HB3 ASN A 94 6.332 -17.670 -33.987 1.00 1.15 H new ATOM 0 HD21 ASN A 94 6.715 -17.413 -37.475 1.00 72.53 H new ATOM 0 HD22 ASN A 94 7.197 -16.866 -35.866 1.00 72.53 H new ATOM 1449 N ALA A 95 7.181 -19.952 -33.532 1.00 55.41 N ATOM 1450 CA ALA A 95 8.322 -20.525 -32.829 1.00 5.01 C ATOM 1451 C ALA A 95 8.645 -19.731 -31.568 1.00 41.02 C ATOM 1452 O ALA A 95 8.989 -20.304 -30.534 1.00 72.30 O ATOM 1453 CB ALA A 95 9.534 -20.579 -33.746 1.00 61.14 C ATOM 0 H ALA A 95 7.388 -19.625 -34.476 1.00 55.41 H new ATOM 0 HA ALA A 95 8.061 -21.540 -32.530 1.00 5.01 H new ATOM 0 HB1 ALA A 95 10.379 -21.009 -33.208 1.00 61.14 H new ATOM 0 HB2 ALA A 95 9.305 -21.196 -34.615 1.00 61.14 H new ATOM 0 HB3 ALA A 95 9.788 -19.571 -34.073 1.00 61.14 H new ATOM 1459 N GLU A 96 8.533 -18.410 -31.661 1.00 20.14 N ATOM 1460 CA GLU A 96 8.814 -17.538 -30.526 1.00 71.15 C ATOM 1461 C GLU A 96 8.599 -16.074 -30.899 1.00 42.04 C ATOM 1462 O GLU A 96 8.662 -15.704 -32.072 1.00 41.23 O ATOM 1463 CB GLU A 96 10.250 -17.746 -30.039 1.00 60.22 C ATOM 1464 CG GLU A 96 10.352 -18.032 -28.550 1.00 11.33 C ATOM 1465 CD GLU A 96 11.722 -17.709 -27.986 1.00 35.13 C ATOM 1466 OE1 GLU A 96 12.700 -18.373 -28.387 1.00 73.42 O ATOM 1467 OE2 GLU A 96 11.815 -16.791 -27.144 1.00 33.44 O ATOM 0 H GLU A 96 8.250 -17.920 -32.510 1.00 20.14 H new ATOM 0 HA GLU A 96 8.124 -17.795 -29.722 1.00 71.15 H new ATOM 0 HB2 GLU A 96 10.696 -18.574 -30.591 1.00 60.22 H new ATOM 0 HB3 GLU A 96 10.836 -16.856 -30.271 1.00 60.22 H new ATOM 0 HG2 GLU A 96 9.598 -17.450 -28.020 1.00 11.33 H new ATOM 0 HG3 GLU A 96 10.128 -19.083 -28.370 1.00 11.33 H new ATOM 1474 N CYS A 97 8.346 -15.245 -29.892 1.00 12.51 N ATOM 1475 CA CYS A 97 8.120 -13.821 -30.111 1.00 73.33 C ATOM 1476 C CYS A 97 9.359 -13.011 -29.740 1.00 73.00 C ATOM 1477 O CYS A 97 10.258 -13.509 -29.064 1.00 0.24 O ATOM 1478 CB CYS A 97 6.920 -13.341 -29.293 1.00 34.23 C ATOM 1479 SG CYS A 97 5.500 -12.804 -30.302 1.00 22.45 S ATOM 0 H CYS A 97 8.292 -15.535 -28.916 1.00 12.51 H new ATOM 0 HA CYS A 97 7.912 -13.671 -31.170 1.00 73.33 H new ATOM 0 HB2 CYS A 97 6.599 -14.146 -28.632 1.00 34.23 H new ATOM 0 HB3 CYS A 97 7.235 -12.513 -28.658 1.00 34.23 H new ATOM 1485 N GLN A 98 9.397 -11.760 -30.188 1.00 20.13 N ATOM 1486 CA GLN A 98 10.525 -10.881 -29.903 1.00 14.44 C ATOM 1487 C GLN A 98 10.679 -10.662 -28.401 1.00 33.13 C ATOM 1488 O GLN A 98 9.778 -10.139 -27.744 1.00 11.24 O ATOM 1489 CB GLN A 98 10.343 -9.537 -30.610 1.00 33.32 C ATOM 1490 CG GLN A 98 9.078 -8.800 -30.201 1.00 23.22 C ATOM 1491 CD GLN A 98 8.205 -8.438 -31.385 1.00 34.20 C ATOM 1492 OE1 GLN A 98 8.685 -7.521 -32.217 1.00 61.03 O flip ATOM 1493 NE2 GLN A 98 7.109 -8.975 -31.551 1.00 53.11 N flip ATOM 0 H GLN A 98 8.660 -11.333 -30.749 1.00 20.13 H new ATOM 0 HA GLN A 98 11.430 -11.360 -30.277 1.00 14.44 H new ATOM 0 HB2 GLN A 98 11.206 -8.905 -30.399 1.00 33.32 H new ATOM 0 HB3 GLN A 98 10.325 -9.702 -31.687 1.00 33.32 H new ATOM 0 HG2 GLN A 98 8.508 -9.421 -29.510 1.00 23.22 H new ATOM 0 HG3 GLN A 98 9.349 -7.892 -29.663 1.00 23.22 H new ATOM 0 HE21 GLN A 98 6.778 -9.675 -30.887 1.00 53.11 H new ATOM 0 HE22 GLN A 98 6.532 -8.720 -32.352 1.00 53.11 H new ATOM 1502 N THR A 99 11.826 -11.065 -27.864 1.00 5.25 N ATOM 1503 CA THR A 99 12.097 -10.914 -26.439 1.00 72.52 C ATOM 1504 C THR A 99 12.281 -9.447 -26.067 1.00 32.21 C ATOM 1505 O THR A 99 12.342 -9.098 -24.887 1.00 73.21 O ATOM 1506 CB THR A 99 13.354 -11.700 -26.021 1.00 31.45 C ATOM 1507 OG1 THR A 99 13.591 -11.534 -24.618 1.00 31.45 O ATOM 1508 CG2 THR A 99 14.570 -11.231 -26.804 1.00 62.53 C ATOM 0 H THR A 99 12.582 -11.498 -28.394 1.00 5.25 H new ATOM 0 HA THR A 99 11.233 -11.315 -25.908 1.00 72.52 H new ATOM 0 HB THR A 99 13.186 -12.755 -26.239 1.00 31.45 H new ATOM 0 HG1 THR A 99 13.236 -10.668 -24.327 1.00 31.45 H new ATOM 0 HG21 THR A 99 15.446 -11.800 -26.492 1.00 62.53 H new ATOM 0 HG22 THR A 99 14.398 -11.385 -27.869 1.00 62.53 H new ATOM 0 HG23 THR A 99 14.739 -10.171 -26.613 1.00 62.53 H new ATOM 1516 N THR A 100 12.367 -8.591 -27.080 1.00 52.53 N ATOM 1517 CA THR A 100 12.545 -7.162 -26.859 1.00 13.41 C ATOM 1518 C THR A 100 11.634 -6.347 -27.770 1.00 12.01 C ATOM 1519 O THR A 100 11.511 -6.636 -28.961 1.00 43.52 O ATOM 1520 CB THR A 100 14.006 -6.732 -27.097 1.00 23.54 C ATOM 1521 OG1 THR A 100 14.808 -7.878 -27.404 1.00 43.43 O ATOM 1522 CG2 THR A 100 14.569 -6.026 -25.872 1.00 30.34 C ATOM 0 H THR A 100 12.316 -8.863 -28.062 1.00 52.53 H new ATOM 0 HA THR A 100 12.282 -6.969 -25.819 1.00 13.41 H new ATOM 0 HB THR A 100 14.026 -6.038 -27.937 1.00 23.54 H new ATOM 0 HG1 THR A 100 15.735 -7.598 -27.556 1.00 43.43 H new ATOM 0 HG21 THR A 100 15.601 -5.732 -26.064 1.00 30.34 H new ATOM 0 HG22 THR A 100 13.973 -5.139 -25.657 1.00 30.34 H new ATOM 0 HG23 THR A 100 14.537 -6.701 -25.016 1.00 30.34 H new ATOM 1530 N ILE A 101 10.996 -5.327 -27.203 1.00 71.23 N ATOM 1531 CA ILE A 101 10.098 -4.470 -27.967 1.00 4.24 C ATOM 1532 C ILE A 101 10.633 -3.044 -28.045 1.00 31.50 C ATOM 1533 O ILE A 101 11.224 -2.537 -27.092 1.00 65.51 O ATOM 1534 CB ILE A 101 8.687 -4.444 -27.350 1.00 40.40 C ATOM 1535 CG1 ILE A 101 8.622 -5.365 -26.130 1.00 12.31 C ATOM 1536 CG2 ILE A 101 7.649 -4.851 -28.384 1.00 33.42 C ATOM 1537 CD1 ILE A 101 7.282 -5.347 -25.429 1.00 54.02 C ATOM 0 H ILE A 101 11.085 -5.075 -26.219 1.00 71.23 H new ATOM 0 HA ILE A 101 10.040 -4.889 -28.972 1.00 4.24 H new ATOM 0 HB ILE A 101 8.468 -3.427 -27.025 1.00 40.40 H new ATOM 0 HG12 ILE A 101 8.845 -6.385 -26.443 1.00 12.31 H new ATOM 0 HG13 ILE A 101 9.397 -5.072 -25.422 1.00 12.31 H new ATOM 0 HG21 ILE A 101 6.657 -4.828 -27.933 1.00 33.42 H new ATOM 0 HG22 ILE A 101 7.682 -4.158 -29.225 1.00 33.42 H new ATOM 0 HG23 ILE A 101 7.863 -5.860 -28.737 1.00 33.42 H new ATOM 0 HD11 ILE A 101 7.309 -6.023 -24.574 1.00 54.02 H new ATOM 0 HD12 ILE A 101 7.065 -4.336 -25.085 1.00 54.02 H new ATOM 0 HD13 ILE A 101 6.505 -5.669 -26.122 1.00 54.02 H new ATOM 1549 N LYS A 102 10.420 -2.401 -29.189 1.00 42.55 N ATOM 1550 CA LYS A 102 10.878 -1.032 -29.393 1.00 4.52 C ATOM 1551 C LYS A 102 9.713 -0.117 -29.753 1.00 55.12 C ATOM 1552 O LYS A 102 9.387 0.057 -30.927 1.00 23.53 O ATOM 1553 CB LYS A 102 11.937 -0.985 -30.497 1.00 63.21 C ATOM 1554 CG LYS A 102 13.356 -1.167 -29.986 1.00 63.04 C ATOM 1555 CD LYS A 102 13.770 -0.027 -29.072 1.00 45.24 C ATOM 1556 CE LYS A 102 14.937 0.758 -29.652 1.00 43.43 C ATOM 1557 NZ LYS A 102 15.759 1.397 -28.588 1.00 41.02 N ATOM 0 H LYS A 102 9.933 -2.806 -29.988 1.00 42.55 H new ATOM 0 HA LYS A 102 11.319 -0.680 -28.460 1.00 4.52 H new ATOM 0 HB2 LYS A 102 11.721 -1.763 -31.230 1.00 63.21 H new ATOM 0 HB3 LYS A 102 11.866 -0.029 -31.016 1.00 63.21 H new ATOM 0 HG2 LYS A 102 13.431 -2.112 -29.448 1.00 63.04 H new ATOM 0 HG3 LYS A 102 14.043 -1.225 -30.830 1.00 63.04 H new ATOM 0 HD2 LYS A 102 12.923 0.641 -28.915 1.00 45.24 H new ATOM 0 HD3 LYS A 102 14.047 -0.425 -28.096 1.00 45.24 H new ATOM 0 HE2 LYS A 102 15.564 0.092 -30.244 1.00 43.43 H new ATOM 0 HE3 LYS A 102 14.559 1.525 -30.328 1.00 43.43 H new ATOM 0 HZ1 LYS A 102 16.544 1.922 -29.024 1.00 41.02 H new ATOM 0 HZ2 LYS A 102 15.167 2.052 -28.038 1.00 41.02 H new ATOM 0 HZ3 LYS A 102 16.141 0.664 -27.957 1.00 41.02 H new ATOM 1571 N VAL A 103 9.089 0.468 -28.735 1.00 34.41 N ATOM 1572 CA VAL A 103 7.961 1.368 -28.945 1.00 20.04 C ATOM 1573 C VAL A 103 8.349 2.814 -28.656 1.00 62.25 C ATOM 1574 O VAL A 103 9.350 3.076 -27.988 1.00 11.43 O ATOM 1575 CB VAL A 103 6.763 0.983 -28.058 1.00 25.22 C ATOM 1576 CG1 VAL A 103 6.053 -0.240 -28.620 1.00 11.30 C ATOM 1577 CG2 VAL A 103 7.218 0.735 -26.628 1.00 22.11 C ATOM 0 H VAL A 103 9.346 0.335 -27.757 1.00 34.41 H new ATOM 0 HA VAL A 103 7.673 1.275 -29.992 1.00 20.04 H new ATOM 0 HB VAL A 103 6.056 1.813 -28.052 1.00 25.22 H new ATOM 0 HG11 VAL A 103 5.209 -0.497 -27.980 1.00 11.30 H new ATOM 0 HG12 VAL A 103 5.692 -0.022 -29.625 1.00 11.30 H new ATOM 0 HG13 VAL A 103 6.748 -1.079 -28.658 1.00 11.30 H new ATOM 0 HG21 VAL A 103 6.359 0.464 -26.015 1.00 22.11 H new ATOM 0 HG22 VAL A 103 7.945 -0.077 -26.613 1.00 22.11 H new ATOM 0 HG23 VAL A 103 7.677 1.640 -26.230 1.00 22.11 H new ATOM 1587 N SER A 104 7.553 3.748 -29.163 1.00 33.44 N ATOM 1588 CA SER A 104 7.815 5.168 -28.963 1.00 4.41 C ATOM 1589 C SER A 104 6.511 5.960 -28.911 1.00 74.35 C ATOM 1590 O SER A 104 5.501 5.551 -29.484 1.00 34.02 O ATOM 1591 CB SER A 104 8.708 5.707 -30.081 1.00 40.40 C ATOM 1592 OG SER A 104 9.375 4.652 -30.754 1.00 12.52 O ATOM 0 H SER A 104 6.720 3.547 -29.716 1.00 33.44 H new ATOM 0 HA SER A 104 8.329 5.285 -28.009 1.00 4.41 H new ATOM 0 HB2 SER A 104 8.105 6.272 -30.792 1.00 40.40 H new ATOM 0 HB3 SER A 104 9.441 6.398 -29.664 1.00 40.40 H new ATOM 0 HG SER A 104 9.938 5.022 -31.465 1.00 12.52 H new ATOM 1598 N LYS A 105 6.542 7.095 -28.222 1.00 5.24 N ATOM 1599 CA LYS A 105 5.365 7.946 -28.095 1.00 13.40 C ATOM 1600 C LYS A 105 5.767 9.409 -27.935 1.00 1.33 C ATOM 1601 O LYS A 105 6.398 9.800 -26.953 1.00 71.02 O ATOM 1602 CB LYS A 105 4.518 7.505 -26.900 1.00 22.21 C ATOM 1603 CG LYS A 105 3.636 6.303 -27.189 1.00 74.43 C ATOM 1604 CD LYS A 105 2.220 6.514 -26.682 1.00 34.21 C ATOM 1605 CE LYS A 105 1.369 5.267 -26.867 1.00 51.41 C ATOM 1606 NZ LYS A 105 0.525 5.347 -28.091 1.00 13.13 N ATOM 0 H LYS A 105 7.370 7.447 -27.742 1.00 5.24 H new ATOM 0 HA LYS A 105 4.775 7.847 -29.006 1.00 13.40 H new ATOM 0 HB2 LYS A 105 5.178 7.268 -26.065 1.00 22.21 H new ATOM 0 HB3 LYS A 105 3.890 8.338 -26.584 1.00 22.21 H new ATOM 0 HG2 LYS A 105 3.615 6.116 -28.263 1.00 74.43 H new ATOM 0 HG3 LYS A 105 4.063 5.417 -26.720 1.00 74.43 H new ATOM 0 HD2 LYS A 105 2.247 6.784 -25.626 1.00 34.21 H new ATOM 0 HD3 LYS A 105 1.763 7.349 -27.213 1.00 34.21 H new ATOM 0 HE2 LYS A 105 2.016 4.392 -26.929 1.00 51.41 H new ATOM 0 HE3 LYS A 105 0.731 5.130 -25.994 1.00 51.41 H new ATOM 0 HZ1 LYS A 105 -0.040 4.478 -28.181 1.00 13.13 H new ATOM 0 HZ2 LYS A 105 -0.111 6.167 -28.021 1.00 13.13 H new ATOM 0 HZ3 LYS A 105 1.135 5.452 -28.927 1.00 13.13 H new ATOM 1620 N PRO A 106 5.392 10.238 -28.920 1.00 31.32 N ATOM 1621 CA PRO A 106 5.701 11.671 -28.910 1.00 30.53 C ATOM 1622 C PRO A 106 4.915 12.426 -27.844 1.00 22.12 C ATOM 1623 O PRO A 106 3.689 12.326 -27.774 1.00 21.22 O ATOM 1624 CB PRO A 106 5.284 12.134 -30.309 1.00 24.22 C ATOM 1625 CG PRO A 106 4.247 11.154 -30.738 1.00 50.23 C ATOM 1626 CD PRO A 106 4.636 9.840 -30.120 1.00 61.34 C ATOM 0 HA PRO A 106 6.749 11.860 -28.678 1.00 30.53 H new ATOM 0 HB2 PRO A 106 4.886 13.148 -30.288 1.00 24.22 H new ATOM 0 HB3 PRO A 106 6.132 12.139 -30.994 1.00 24.22 H new ATOM 0 HG2 PRO A 106 3.256 11.464 -30.405 1.00 50.23 H new ATOM 0 HG3 PRO A 106 4.208 11.078 -31.825 1.00 50.23 H new ATOM 0 HD2 PRO A 106 3.762 9.242 -29.864 1.00 61.34 H new ATOM 0 HD3 PRO A 106 5.244 9.241 -30.798 1.00 61.34 H new ATOM 1634 N CYS A 107 5.627 13.181 -27.014 1.00 31.40 N ATOM 1635 CA CYS A 107 4.996 13.954 -25.950 1.00 64.23 C ATOM 1636 C CYS A 107 5.399 15.423 -26.034 1.00 33.35 C ATOM 1637 O CYS A 107 6.410 15.769 -26.645 1.00 33.14 O ATOM 1638 CB CYS A 107 5.380 13.385 -24.583 1.00 31.22 C ATOM 1639 SG CYS A 107 7.015 13.925 -23.986 1.00 30.30 S ATOM 0 H CYS A 107 6.642 13.274 -27.058 1.00 31.40 H new ATOM 0 HA CYS A 107 3.915 13.884 -26.074 1.00 64.23 H new ATOM 0 HB2 CYS A 107 4.624 13.677 -23.854 1.00 31.22 H new ATOM 0 HB3 CYS A 107 5.366 12.296 -24.637 1.00 31.22 H new ATOM 1645 N THR A 108 4.597 16.285 -25.415 1.00 52.35 N ATOM 1646 CA THR A 108 4.868 17.718 -25.419 1.00 63.42 C ATOM 1647 C THR A 108 5.410 18.179 -24.071 1.00 43.21 C ATOM 1648 O THR A 108 5.057 17.647 -23.018 1.00 73.54 O ATOM 1649 CB THR A 108 3.602 18.527 -25.755 1.00 55.43 C ATOM 1650 OG1 THR A 108 2.663 18.439 -24.678 1.00 44.01 O ATOM 1651 CG2 THR A 108 2.960 18.021 -27.038 1.00 21.31 C ATOM 0 H THR A 108 3.756 16.016 -24.905 1.00 52.35 H new ATOM 0 HA THR A 108 5.619 17.896 -26.189 1.00 63.42 H new ATOM 0 HB THR A 108 3.891 19.568 -25.899 1.00 55.43 H new ATOM 0 HG1 THR A 108 1.862 18.958 -24.899 1.00 44.01 H new ATOM 0 HG21 THR A 108 2.068 18.608 -27.254 1.00 21.31 H new ATOM 0 HG22 THR A 108 3.667 18.119 -27.862 1.00 21.31 H new ATOM 0 HG23 THR A 108 2.685 16.973 -26.918 1.00 21.31 H new