USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 579 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 65 GLN : amide:sc= 0 X(o=-0.75,f=-1.1) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.745 X(o=-0.75,f=-1.1) USER MOD Set 2.1: A 34 SER OG : rot 91:sc= 1.53 USER MOD Set 2.2: A 38 ASN : amide:sc= -3.02! C(o=-1.5!,f=-8.9!) USER MOD Single : A 20 THR OG1 : rot 150:sc= -1.03 USER MOD Single : A 25 SER OG : rot 37:sc= 0.404 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 83:sc= 0.473 USER MOD Single : A 39 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.1!) USER MOD Single : A 41 SER OG : rot -49:sc= 0.091 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= -0.883 (180deg=-0.916) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0.983 (180deg=0.67) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.0876 X(o=-0.088,f=-0.074) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 64 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-0.79) USER MOD Single : A 66 TYR OH : rot 113:sc= 0.84 USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= 0.192 (180deg=-0.0928) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -3.32! K(o=-3.3!,f=-1.2) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.781 X(o=-0.78,f=-0.86) USER MOD Single : A 95 HIS : no HE2:sc= -3.12 K(o=-3.1,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.753 -22.930 -13.376 1.00 12.42 N ATOM 234 CA ALA A 17 29.788 -22.758 -14.823 1.00 42.35 C ATOM 235 C ALA A 17 29.804 -21.280 -15.201 1.00 62.44 C ATOM 236 O ALA A 17 29.221 -20.447 -14.508 1.00 42.53 O ATOM 237 CB ALA A 17 28.599 -23.456 -15.466 1.00 33.33 C ATOM 0 HA ALA A 17 30.707 -23.211 -15.195 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.638 -23.319 -16.547 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.632 -24.520 -15.233 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.674 -23.029 -15.079 1.00 33.33 H new ATOM 243 N ARG A 18 30.477 -20.964 -16.303 1.00 70.43 N ATOM 244 CA ARG A 18 30.571 -19.587 -16.771 1.00 32.44 C ATOM 245 C ARG A 18 29.274 -19.153 -17.449 1.00 34.41 C ATOM 246 O ARG A 18 28.475 -19.976 -17.900 1.00 12.32 O ATOM 247 CB ARG A 18 31.742 -19.434 -17.743 1.00 12.31 C ATOM 248 CG ARG A 18 32.936 -18.707 -17.148 1.00 64.34 C ATOM 249 CD ARG A 18 33.878 -18.203 -18.230 1.00 1.20 C ATOM 250 NE ARG A 18 34.083 -16.760 -18.150 1.00 31.54 N ATOM 251 CZ ARG A 18 35.102 -16.130 -18.725 1.00 74.52 C ATOM 252 NH1 ARG A 18 36.003 -16.812 -19.418 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 35.221 -14.813 -18.606 1.00 25.53 N ATOM 0 H ARG A 18 30.965 -21.643 -16.888 1.00 70.43 H new ATOM 0 HA ARG A 18 30.741 -18.947 -15.905 1.00 32.44 H new ATOM 0 HB2 ARG A 18 32.058 -20.423 -18.076 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.402 -18.894 -18.626 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.589 -17.867 -16.546 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.475 -19.378 -16.479 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.838 -18.711 -18.140 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.474 -18.458 -19.210 1.00 1.20 H new ATOM 0 HE ARG A 18 33.408 -16.205 -17.624 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.916 -17.824 -19.511 1.00 5.14 H new ATOM 0 HH12 ARG A 18 36.784 -16.325 -19.858 1.00 5.14 H new ATOM 0 HH21 ARG A 18 34.530 -14.285 -18.073 1.00 25.53 H new ATOM 0 HH22 ARG A 18 36.003 -14.330 -19.047 1.00 25.53 H new ATOM 267 N PRO A 19 29.058 -17.832 -17.525 1.00 3.15 N ATOM 268 CA PRO A 19 27.860 -17.260 -18.146 1.00 23.40 C ATOM 269 C PRO A 19 27.846 -17.447 -19.659 1.00 70.32 C ATOM 270 O PRO A 19 28.873 -17.749 -20.268 1.00 5.33 O ATOM 271 CB PRO A 19 27.952 -15.773 -17.793 1.00 44.10 C ATOM 272 CG PRO A 19 29.407 -15.523 -17.585 1.00 71.22 C ATOM 273 CD PRO A 19 29.968 -16.794 -17.010 1.00 71.44 C ATOM 0 HA PRO A 19 26.949 -17.741 -17.791 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.554 -15.150 -18.594 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.378 -15.543 -16.895 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.898 -15.270 -18.525 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.566 -14.685 -16.907 1.00 71.22 H new ATOM 0 HD2 PRO A 19 30.995 -16.963 -17.334 1.00 71.44 H new ATOM 0 HD3 PRO A 19 29.977 -16.772 -15.920 1.00 71.44 H new ATOM 281 N THR A 20 26.675 -17.267 -20.263 1.00 62.41 N ATOM 282 CA THR A 20 26.527 -17.417 -21.705 1.00 11.43 C ATOM 283 C THR A 20 26.620 -16.069 -22.411 1.00 21.11 C ATOM 284 O THR A 20 26.339 -15.027 -21.819 1.00 33.42 O ATOM 285 CB THR A 20 25.185 -18.080 -22.067 1.00 72.41 C ATOM 286 OG1 THR A 20 25.213 -18.537 -23.423 1.00 51.10 O ATOM 287 CG2 THR A 20 24.031 -17.107 -21.877 1.00 52.22 C ATOM 0 H THR A 20 25.815 -17.017 -19.775 1.00 62.41 H new ATOM 0 HA THR A 20 27.343 -18.058 -22.040 1.00 11.43 H new ATOM 0 HB THR A 20 25.035 -18.930 -21.402 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.636 -19.324 -23.515 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.094 -17.598 -22.139 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.994 -16.786 -20.836 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.178 -16.239 -22.520 1.00 52.22 H new ATOM 295 N VAL A 21 27.018 -16.096 -23.679 1.00 64.42 N ATOM 296 CA VAL A 21 27.146 -14.876 -24.466 1.00 34.44 C ATOM 297 C VAL A 21 26.009 -14.750 -25.475 1.00 4.33 C ATOM 298 O VAL A 21 26.038 -15.368 -26.538 1.00 53.11 O ATOM 299 CB VAL A 21 28.490 -14.832 -25.218 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.601 -13.557 -26.039 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.650 -14.949 -24.241 1.00 42.33 C ATOM 0 H VAL A 21 27.257 -16.950 -24.183 1.00 64.42 H new ATOM 0 HA VAL A 21 27.101 -14.042 -23.766 1.00 34.44 H new ATOM 0 HB VAL A 21 28.533 -15.680 -25.901 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.557 -13.544 -26.563 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.789 -13.520 -26.765 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.537 -12.692 -25.379 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.592 -14.916 -24.789 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.614 -14.122 -23.532 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.577 -15.893 -23.701 1.00 42.33 H new ATOM 311 N ILE A 22 25.010 -13.944 -25.131 1.00 22.23 N ATOM 312 CA ILE A 22 23.863 -13.735 -26.008 1.00 2.23 C ATOM 313 C ILE A 22 23.575 -12.249 -26.190 1.00 11.25 C ATOM 314 O ILE A 22 23.653 -11.470 -25.240 1.00 71.43 O ATOM 315 CB ILE A 22 22.602 -14.427 -25.458 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.548 -15.884 -25.924 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.352 -13.679 -25.899 1.00 73.20 C ATOM 318 CD1 ILE A 22 23.058 -16.867 -24.893 1.00 75.24 C ATOM 0 H ILE A 22 24.971 -13.426 -24.253 1.00 22.23 H new ATOM 0 HA ILE A 22 24.118 -14.174 -26.972 1.00 2.23 H new ATOM 0 HB ILE A 22 22.645 -14.414 -24.369 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.519 -16.138 -26.178 1.00 14.22 H new ATOM 0 HG13 ILE A 22 23.137 -15.988 -26.836 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.469 -14.180 -25.502 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.388 -12.656 -25.523 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.302 -13.664 -26.988 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.990 -17.880 -25.291 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.097 -16.639 -24.656 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.454 -16.792 -23.989 1.00 75.24 H new ATOM 330 N ARG A 23 23.240 -11.864 -27.418 1.00 22.13 N ATOM 331 CA ARG A 23 22.938 -10.471 -27.726 1.00 2.21 C ATOM 332 C ARG A 23 21.951 -10.371 -28.884 1.00 24.52 C ATOM 333 O ARG A 23 22.307 -10.608 -30.039 1.00 2.42 O ATOM 334 CB ARG A 23 24.223 -9.714 -28.070 1.00 42.34 C ATOM 335 CG ARG A 23 25.051 -10.382 -29.156 1.00 24.01 C ATOM 336 CD ARG A 23 26.465 -9.825 -29.200 1.00 73.43 C ATOM 337 NE ARG A 23 26.482 -8.395 -29.494 1.00 13.23 N ATOM 338 CZ ARG A 23 26.334 -7.894 -30.715 1.00 71.22 C ATOM 339 NH1 ARG A 23 26.158 -8.704 -31.751 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 26.361 -6.581 -30.904 1.00 52.22 N ATOM 0 H ARG A 23 23.171 -12.497 -28.215 1.00 22.13 H new ATOM 0 HA ARG A 23 22.482 -10.020 -26.844 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.965 -8.705 -28.391 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.830 -9.617 -27.170 1.00 42.34 H new ATOM 0 HG2 ARG A 23 25.087 -11.457 -28.978 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.571 -10.235 -30.123 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.955 -10.004 -28.243 1.00 73.43 H new ATOM 0 HD3 ARG A 23 27.041 -10.357 -29.957 1.00 73.43 H new ATOM 0 HE ARG A 23 26.615 -7.745 -28.719 1.00 13.23 H new ATOM 0 HH11 ARG A 23 26.136 -9.714 -31.611 1.00 41.22 H new ATOM 0 HH12 ARG A 23 26.045 -8.317 -32.688 1.00 41.22 H new ATOM 0 HH21 ARG A 23 26.496 -5.954 -30.111 1.00 52.22 H new ATOM 0 HH22 ARG A 23 26.247 -6.198 -31.843 1.00 52.22 H new ATOM 354 N TRP A 24 20.710 -10.021 -28.568 1.00 71.11 N ATOM 355 CA TRP A 24 19.669 -9.891 -29.582 1.00 14.11 C ATOM 356 C TRP A 24 19.177 -8.451 -29.676 1.00 74.11 C ATOM 357 O TRP A 24 18.903 -7.812 -28.659 1.00 40.02 O ATOM 358 CB TRP A 24 18.500 -10.824 -29.265 1.00 23.53 C ATOM 359 CG TRP A 24 17.305 -10.596 -30.140 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.305 -9.686 -29.943 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.983 -11.293 -31.349 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.382 -9.775 -30.957 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.776 -10.751 -31.833 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.599 -12.317 -32.072 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.173 -11.204 -33.004 1.00 23.31 C ATOM 366 CZ3 TRP A 24 17.000 -12.766 -33.235 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.798 -12.209 -33.691 1.00 42.54 C ATOM 0 H TRP A 24 20.399 -9.822 -27.617 1.00 71.11 H new ATOM 0 HA TRP A 24 20.097 -10.172 -30.544 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.829 -11.857 -29.374 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.209 -10.690 -28.223 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.248 -8.998 -29.112 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.540 -9.206 -31.043 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.527 -12.751 -31.729 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.246 -10.777 -33.357 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.466 -13.559 -33.801 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.356 -12.580 -34.604 1.00 42.54 H new ATOM 378 N SER A 25 19.067 -7.946 -30.900 1.00 14.13 N ATOM 379 CA SER A 25 18.610 -6.580 -31.124 1.00 42.24 C ATOM 380 C SER A 25 17.557 -6.533 -32.227 1.00 64.44 C ATOM 381 O SER A 25 17.843 -6.828 -33.386 1.00 51.21 O ATOM 382 CB SER A 25 19.791 -5.679 -31.495 1.00 73.05 C ATOM 383 OG SER A 25 20.504 -6.203 -32.601 1.00 65.11 O ATOM 0 H SER A 25 19.288 -8.462 -31.752 1.00 14.13 H new ATOM 0 HA SER A 25 18.160 -6.218 -30.199 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.429 -4.679 -31.733 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.460 -5.581 -30.640 1.00 73.05 H new ATOM 0 HG SER A 25 19.875 -6.606 -33.235 1.00 65.11 H new ATOM 389 N GLU A 26 16.335 -6.162 -31.854 1.00 53.54 N ATOM 390 CA GLU A 26 15.238 -6.078 -32.810 1.00 53.15 C ATOM 391 C GLU A 26 14.250 -4.986 -32.410 1.00 73.25 C ATOM 392 O GLU A 26 14.119 -3.971 -33.092 1.00 53.42 O ATOM 393 CB GLU A 26 14.516 -7.423 -32.911 1.00 25.03 C ATOM 394 CG GLU A 26 13.681 -7.573 -34.171 1.00 61.21 C ATOM 395 CD GLU A 26 14.530 -7.728 -35.419 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.772 -7.708 -35.295 1.00 31.44 O ATOM 397 OE2 GLU A 26 13.953 -7.872 -36.516 1.00 63.14 O1- ATOM 0 H GLU A 26 16.081 -5.915 -30.897 1.00 53.54 H new ATOM 0 HA GLU A 26 15.657 -5.825 -33.784 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.253 -8.225 -32.876 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.871 -7.546 -32.041 1.00 25.03 H new ATOM 0 HG2 GLU A 26 13.029 -8.441 -34.069 1.00 61.21 H new ATOM 0 HG3 GLU A 26 13.036 -6.701 -34.281 1.00 61.21 H new ATOM 404 N GLY A 27 13.555 -5.204 -31.298 1.00 44.43 N ATOM 405 CA GLY A 27 12.586 -4.232 -30.825 1.00 31.34 C ATOM 406 C GLY A 27 11.221 -4.844 -30.584 1.00 63.32 C ATOM 407 O GLY A 27 10.196 -4.232 -30.885 1.00 61.55 O ATOM 0 H GLY A 27 13.646 -6.037 -30.716 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.948 -3.783 -29.900 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.496 -3.428 -31.555 1.00 31.34 H new ATOM 411 N GLY A 28 11.205 -6.057 -30.039 1.00 21.34 N ATOM 412 CA GLY A 28 9.949 -6.732 -29.769 1.00 62.33 C ATOM 413 C GLY A 28 9.369 -6.360 -28.418 1.00 50.05 C ATOM 414 O GLY A 28 9.729 -5.333 -27.841 1.00 23.31 O ATOM 0 H GLY A 28 12.039 -6.584 -29.780 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.231 -6.483 -30.550 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.103 -7.810 -29.810 1.00 62.33 H new ATOM 418 N LYS A 29 8.468 -7.195 -27.913 1.00 15.42 N ATOM 419 CA LYS A 29 7.836 -6.949 -26.622 1.00 45.44 C ATOM 420 C LYS A 29 8.449 -7.831 -25.540 1.00 12.10 C ATOM 421 O LYS A 29 8.492 -7.452 -24.369 1.00 63.53 O ATOM 422 CB LYS A 29 6.330 -7.205 -26.711 1.00 41.32 C ATOM 423 CG LYS A 29 5.632 -6.367 -27.769 1.00 72.44 C ATOM 424 CD LYS A 29 5.161 -5.037 -27.204 1.00 52.45 C ATOM 425 CE LYS A 29 3.947 -4.511 -27.956 1.00 71.52 C ATOM 426 NZ LYS A 29 3.757 -3.049 -27.749 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.159 -8.049 -28.378 1.00 15.42 H new ATOM 0 HA LYS A 29 8.006 -5.906 -26.355 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.161 -8.260 -26.926 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.877 -7.001 -25.741 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.313 -6.189 -28.602 1.00 72.44 H new ATOM 0 HG3 LYS A 29 4.779 -6.917 -28.166 1.00 72.44 H new ATOM 0 HD2 LYS A 29 4.914 -5.156 -26.149 1.00 52.45 H new ATOM 0 HD3 LYS A 29 5.970 -4.309 -27.262 1.00 52.45 H new ATOM 0 HE2 LYS A 29 4.063 -4.715 -29.020 1.00 71.52 H new ATOM 0 HE3 LYS A 29 3.056 -5.044 -27.624 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 2.920 -2.729 -28.277 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 3.621 -2.857 -26.736 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 4.597 -2.538 -28.089 1.00 53.32 H new ATOM 440 N GLU A 30 8.922 -9.007 -25.939 1.00 44.21 N ATOM 441 CA GLU A 30 9.533 -9.942 -25.000 1.00 11.54 C ATOM 442 C GLU A 30 10.474 -10.901 -25.724 1.00 2.32 C ATOM 443 O GLU A 30 10.156 -11.407 -26.800 1.00 51.51 O ATOM 444 CB GLU A 30 8.454 -10.733 -24.258 1.00 14.34 C ATOM 445 CG GLU A 30 7.653 -11.661 -25.156 1.00 21.41 C ATOM 446 CD GLU A 30 6.255 -11.919 -24.629 1.00 54.10 C ATOM 447 OE1 GLU A 30 6.034 -11.731 -23.415 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.382 -12.310 -25.432 1.00 2.20 O ATOM 0 H GLU A 30 8.894 -9.335 -26.904 1.00 44.21 H new ATOM 0 HA GLU A 30 10.112 -9.366 -24.278 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.924 -11.321 -23.469 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.773 -10.034 -23.772 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.587 -11.227 -26.154 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.181 -12.610 -25.255 1.00 21.41 H new ATOM 455 N VAL A 31 11.635 -11.145 -25.124 1.00 1.21 N ATOM 456 CA VAL A 31 12.624 -12.043 -25.710 1.00 20.01 C ATOM 457 C VAL A 31 13.034 -13.129 -24.721 1.00 24.24 C ATOM 458 O VAL A 31 13.297 -12.850 -23.551 1.00 60.13 O ATOM 459 CB VAL A 31 13.881 -11.276 -26.164 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.862 -12.216 -26.847 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.499 -10.128 -27.086 1.00 53.33 C ATOM 0 H VAL A 31 11.914 -10.734 -24.233 1.00 1.21 H new ATOM 0 HA VAL A 31 12.156 -12.505 -26.579 1.00 20.01 H new ATOM 0 HB VAL A 31 14.369 -10.858 -25.284 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.743 -11.657 -27.161 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.159 -13.001 -26.151 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.388 -12.665 -27.720 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.398 -9.597 -27.397 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.988 -10.522 -27.964 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.837 -9.442 -26.558 1.00 53.33 H new ATOM 471 N PHE A 32 13.088 -14.367 -25.199 1.00 63.42 N ATOM 472 CA PHE A 32 13.467 -15.496 -24.357 1.00 64.12 C ATOM 473 C PHE A 32 14.435 -16.420 -25.089 1.00 21.54 C ATOM 474 O PHE A 32 14.422 -16.501 -26.318 1.00 42.43 O ATOM 475 CB PHE A 32 12.223 -16.277 -23.926 1.00 75.51 C ATOM 476 CG PHE A 32 11.262 -15.469 -23.104 1.00 43.43 C ATOM 477 CD1 PHE A 32 10.252 -14.740 -23.711 1.00 72.34 C ATOM 478 CD2 PHE A 32 11.369 -15.437 -21.722 1.00 62.05 C ATOM 479 CE1 PHE A 32 9.366 -13.994 -22.957 1.00 32.23 C ATOM 480 CE2 PHE A 32 10.485 -14.694 -20.963 1.00 3.23 C ATOM 481 CZ PHE A 32 9.483 -13.971 -21.580 1.00 24.12 C ATOM 0 H PHE A 32 12.874 -14.615 -26.165 1.00 63.42 H new ATOM 0 HA PHE A 32 13.967 -15.105 -23.471 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.709 -16.644 -24.814 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.533 -17.151 -23.353 1.00 75.51 H new ATOM 0 HD1 PHE A 32 10.156 -14.755 -24.787 1.00 72.34 H new ATOM 0 HD2 PHE A 32 12.151 -15.999 -21.234 1.00 62.05 H new ATOM 0 HE1 PHE A 32 8.584 -13.430 -23.443 1.00 32.23 H new ATOM 0 HE2 PHE A 32 10.578 -14.679 -19.887 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.792 -13.389 -20.988 1.00 24.12 H new ATOM 491 N ILE A 33 15.271 -17.117 -24.326 1.00 13.35 N ATOM 492 CA ILE A 33 16.244 -18.035 -24.902 1.00 22.33 C ATOM 493 C ILE A 33 16.089 -19.436 -24.320 1.00 62.43 C ATOM 494 O ILE A 33 15.817 -19.599 -23.131 1.00 63.03 O ATOM 495 CB ILE A 33 17.686 -17.549 -24.665 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.683 -18.477 -25.365 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.982 -17.475 -23.174 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.128 -18.137 -25.078 1.00 22.31 C ATOM 0 H ILE A 33 15.293 -17.063 -23.308 1.00 13.35 H new ATOM 0 HA ILE A 33 16.052 -18.066 -25.975 1.00 22.33 H new ATOM 0 HB ILE A 33 17.790 -16.549 -25.087 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.491 -19.504 -25.054 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.514 -18.433 -26.441 1.00 10.32 H new ATOM 0 HG21 ILE A 33 19.005 -17.130 -23.023 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.290 -16.779 -22.700 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.863 -18.463 -22.730 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.778 -18.835 -25.606 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.337 -17.121 -25.414 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.313 -18.209 -24.006 1.00 22.31 H new ATOM 510 N SER A 34 16.267 -20.446 -25.166 1.00 25.03 N ATOM 511 CA SER A 34 16.145 -21.833 -24.736 1.00 60.30 C ATOM 512 C SER A 34 17.051 -22.741 -25.563 1.00 10.42 C ATOM 513 O SER A 34 17.170 -22.577 -26.776 1.00 43.22 O ATOM 514 CB SER A 34 14.692 -22.300 -24.854 1.00 31.12 C ATOM 515 OG SER A 34 14.480 -23.496 -24.123 1.00 65.53 O ATOM 0 H SER A 34 16.496 -20.329 -26.153 1.00 25.03 H new ATOM 0 HA SER A 34 16.455 -21.892 -23.693 1.00 60.30 H new ATOM 0 HB2 SER A 34 14.025 -21.521 -24.484 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.443 -22.462 -25.903 1.00 31.12 H new ATOM 0 HG SER A 34 14.195 -23.276 -23.211 1.00 65.53 H new ATOM 521 N GLY A 35 17.687 -23.699 -24.896 1.00 50.42 N ATOM 522 CA GLY A 35 18.574 -24.618 -25.585 1.00 51.10 C ATOM 523 C GLY A 35 18.606 -25.988 -24.938 1.00 32.54 C ATOM 524 O GLY A 35 17.718 -26.335 -24.159 1.00 42.30 O ATOM 0 H GLY A 35 17.604 -23.855 -23.891 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.255 -24.717 -26.622 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.582 -24.203 -25.600 1.00 51.10 H new ATOM 528 N SER A 36 19.631 -26.770 -25.261 1.00 50.42 N ATOM 529 CA SER A 36 19.771 -28.112 -24.709 1.00 60.21 C ATOM 530 C SER A 36 20.191 -28.056 -23.243 1.00 34.32 C ATOM 531 O SER A 36 20.083 -29.044 -22.516 1.00 45.21 O ATOM 532 CB SER A 36 20.797 -28.913 -25.514 1.00 64.21 C ATOM 533 OG SER A 36 20.264 -29.312 -26.766 1.00 43.11 O ATOM 0 H SER A 36 20.376 -26.497 -25.902 1.00 50.42 H new ATOM 0 HA SER A 36 18.802 -28.607 -24.773 1.00 60.21 H new ATOM 0 HB2 SER A 36 21.691 -28.310 -25.671 1.00 64.21 H new ATOM 0 HB3 SER A 36 21.101 -29.793 -24.948 1.00 64.21 H new ATOM 0 HG SER A 36 20.351 -28.577 -27.408 1.00 43.11 H new ATOM 539 N PHE A 37 20.670 -26.893 -22.816 1.00 5.12 N ATOM 540 CA PHE A 37 21.108 -26.706 -21.437 1.00 1.32 C ATOM 541 C PHE A 37 19.938 -26.860 -20.470 1.00 52.10 C ATOM 542 O PHE A 37 20.132 -27.031 -19.267 1.00 24.42 O ATOM 543 CB PHE A 37 21.748 -25.327 -21.266 1.00 52.43 C ATOM 544 CG PHE A 37 20.872 -24.198 -21.724 1.00 52.44 C ATOM 545 CD1 PHE A 37 19.894 -23.679 -20.890 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.026 -23.653 -22.989 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.085 -22.640 -21.309 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.220 -22.613 -23.413 1.00 24.25 C ATOM 549 CZ PHE A 37 19.248 -22.106 -22.573 1.00 63.21 C ATOM 0 H PHE A 37 20.765 -26.065 -23.405 1.00 5.12 H new ATOM 0 HA PHE A 37 21.848 -27.473 -21.209 1.00 1.32 H new ATOM 0 HB2 PHE A 37 21.998 -25.179 -20.215 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.684 -25.298 -21.823 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.763 -24.092 -19.901 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.784 -24.045 -23.651 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.326 -22.246 -20.649 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.350 -22.197 -24.401 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.617 -21.294 -22.903 1.00 63.21 H new ATOM 559 N ASN A 38 18.723 -26.797 -21.006 1.00 73.11 N ATOM 560 CA ASN A 38 17.521 -26.927 -20.190 1.00 10.42 C ATOM 561 C ASN A 38 16.553 -27.934 -20.805 1.00 21.43 C ATOM 562 O ASN A 38 15.390 -28.010 -20.413 1.00 31.21 O ATOM 563 CB ASN A 38 16.833 -25.569 -20.037 1.00 72.03 C ATOM 564 CG ASN A 38 15.953 -25.231 -21.225 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.755 -25.515 -21.225 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.544 -24.620 -22.244 1.00 44.21 N ATOM 0 H ASN A 38 18.545 -26.657 -22.001 1.00 73.11 H new ATOM 0 HA ASN A 38 17.818 -27.289 -19.206 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.229 -25.571 -19.130 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.589 -24.793 -19.916 1.00 72.03 H new ATOM 0 HD21 ASN A 38 16.002 -24.367 -23.070 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.540 -24.404 -22.201 1.00 44.21 H new ATOM 573 N ASN A 39 17.044 -28.705 -21.770 1.00 32.24 N ATOM 574 CA ASN A 39 16.223 -29.707 -22.439 1.00 20.50 C ATOM 575 C ASN A 39 15.075 -29.051 -23.199 1.00 23.03 C ATOM 576 O ASN A 39 14.074 -29.696 -23.511 1.00 14.24 O ATOM 577 CB ASN A 39 15.671 -30.706 -21.420 1.00 75.11 C ATOM 578 CG ASN A 39 15.472 -32.088 -22.015 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.802 -32.329 -23.176 1.00 63.34 O ATOM 580 ND2 ASN A 39 14.930 -33.002 -21.219 1.00 64.12 N ATOM 0 H ASN A 39 18.006 -28.655 -22.106 1.00 32.24 H new ATOM 0 HA ASN A 39 16.851 -30.237 -23.154 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.354 -30.773 -20.573 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.720 -30.339 -21.034 1.00 75.11 H new ATOM 0 HD21 ASN A 39 14.772 -33.949 -21.563 1.00 64.12 H new ATOM 0 HD22 ASN A 39 14.672 -32.757 -20.263 1.00 64.12 H new ATOM 587 N TRP A 40 15.228 -27.765 -23.495 1.00 1.42 N ATOM 588 CA TRP A 40 14.204 -27.021 -24.220 1.00 70.44 C ATOM 589 C TRP A 40 12.840 -27.193 -23.563 1.00 14.41 C ATOM 590 O TRP A 40 11.825 -27.336 -24.246 1.00 75.11 O ATOM 591 CB TRP A 40 14.144 -27.483 -25.677 1.00 13.40 C ATOM 592 CG TRP A 40 15.475 -27.450 -26.366 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.535 -28.281 -26.141 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.887 -26.538 -27.390 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.581 -27.941 -26.964 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.209 -26.875 -27.741 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.267 -25.471 -28.047 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.920 -26.182 -28.716 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.975 -24.784 -29.014 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.290 -25.142 -29.343 1.00 62.54 C ATOM 0 H TRP A 40 16.050 -27.216 -23.244 1.00 1.42 H new ATOM 0 HA TRP A 40 14.470 -25.964 -24.192 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.750 -28.498 -25.713 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.445 -26.850 -26.223 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.549 -29.087 -25.422 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.488 -28.407 -26.992 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.253 -25.189 -27.803 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.934 -26.456 -28.969 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.507 -23.956 -29.526 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.815 -24.586 -30.106 1.00 62.54 H new ATOM 611 N SER A 41 12.821 -27.176 -22.234 1.00 25.55 N ATOM 612 CA SER A 41 11.579 -27.334 -21.484 1.00 24.31 C ATOM 613 C SER A 41 11.265 -26.074 -20.683 1.00 73.12 C ATOM 614 O SER A 41 10.421 -26.088 -19.787 1.00 72.53 O ATOM 615 CB SER A 41 11.674 -28.539 -20.547 1.00 23.43 C ATOM 616 OG SER A 41 10.386 -29.005 -20.184 1.00 55.35 O ATOM 0 H SER A 41 13.651 -27.054 -21.654 1.00 25.55 H new ATOM 0 HA SER A 41 10.771 -27.501 -22.196 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.230 -29.340 -21.035 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.231 -28.264 -19.651 1.00 23.43 H new ATOM 0 HG SER A 41 9.835 -28.249 -19.893 1.00 55.35 H new ATOM 622 N THR A 42 11.951 -24.984 -21.012 1.00 74.23 N ATOM 623 CA THR A 42 11.749 -23.716 -20.323 1.00 14.13 C ATOM 624 C THR A 42 12.394 -22.566 -21.087 1.00 20.24 C ATOM 625 O THR A 42 13.436 -22.734 -21.721 1.00 53.41 O ATOM 626 CB THR A 42 12.322 -23.754 -18.895 1.00 54.43 C ATOM 627 OG1 THR A 42 12.076 -22.507 -18.234 1.00 52.32 O ATOM 628 CG2 THR A 42 13.817 -24.035 -18.919 1.00 23.45 C ATOM 0 H THR A 42 12.652 -24.954 -21.752 1.00 74.23 H new ATOM 0 HA THR A 42 10.672 -23.554 -20.270 1.00 14.13 H new ATOM 0 HB THR A 42 11.826 -24.557 -18.350 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.442 -22.540 -17.326 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.199 -24.057 -17.899 1.00 23.45 H new ATOM 0 HG22 THR A 42 13.999 -24.998 -19.396 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.326 -23.251 -19.480 1.00 23.45 H new ATOM 636 N LYS A 43 11.770 -21.395 -21.023 1.00 1.11 N ATOM 637 CA LYS A 43 12.285 -20.214 -21.706 1.00 64.11 C ATOM 638 C LYS A 43 12.977 -19.275 -20.724 1.00 3.12 C ATOM 639 O LYS A 43 12.362 -18.795 -19.772 1.00 72.24 O ATOM 640 CB LYS A 43 11.148 -19.476 -22.419 1.00 65.14 C ATOM 641 CG LYS A 43 11.263 -19.503 -23.934 1.00 42.20 C ATOM 642 CD LYS A 43 9.979 -19.032 -24.598 1.00 2.13 C ATOM 643 CE LYS A 43 9.091 -20.204 -24.986 1.00 63.12 C ATOM 644 NZ LYS A 43 8.993 -21.212 -23.895 1.00 4.54 N1+ ATOM 0 H LYS A 43 10.906 -21.238 -20.504 1.00 1.11 H new ATOM 0 HA LYS A 43 13.017 -20.542 -22.444 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.197 -19.922 -22.127 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.131 -18.439 -22.082 1.00 65.14 H new ATOM 0 HG2 LYS A 43 12.091 -18.868 -24.249 1.00 42.20 H new ATOM 0 HG3 LYS A 43 11.495 -20.516 -24.265 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.438 -18.373 -23.919 1.00 2.13 H new ATOM 0 HD3 LYS A 43 10.220 -18.447 -25.486 1.00 2.13 H new ATOM 0 HE2 LYS A 43 8.094 -19.838 -25.233 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.488 -20.678 -25.884 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 8.326 -21.960 -24.173 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 9.930 -21.630 -23.723 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 8.654 -20.751 -23.026 1.00 4.54 H new ATOM 658 N ILE A 44 14.258 -19.015 -20.964 1.00 22.14 N ATOM 659 CA ILE A 44 15.032 -18.131 -20.101 1.00 54.22 C ATOM 660 C ILE A 44 14.801 -16.669 -20.464 1.00 22.01 C ATOM 661 O ILE A 44 14.852 -16.278 -21.631 1.00 31.33 O ATOM 662 CB ILE A 44 16.539 -18.439 -20.187 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.889 -19.634 -19.298 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.352 -17.217 -19.786 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.271 -20.934 -19.762 1.00 62.32 C ATOM 0 H ILE A 44 14.781 -19.404 -21.748 1.00 22.14 H new ATOM 0 HA ILE A 44 14.691 -18.307 -19.081 1.00 54.22 H new ATOM 0 HB ILE A 44 16.785 -18.693 -21.218 1.00 4.25 H new ATOM 0 HG12 ILE A 44 17.973 -19.747 -19.266 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.560 -19.428 -18.280 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.415 -17.450 -19.852 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.120 -16.389 -20.456 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.105 -16.935 -18.762 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.562 -21.737 -19.085 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.185 -20.839 -19.767 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.620 -21.164 -20.769 1.00 62.32 H new ATOM 677 N PRO A 45 14.544 -15.838 -19.443 1.00 72.14 N ATOM 678 CA PRO A 45 14.303 -14.404 -19.630 1.00 74.30 C ATOM 679 C PRO A 45 15.563 -13.654 -20.049 1.00 3.41 C ATOM 680 O PRO A 45 16.642 -13.877 -19.500 1.00 31.12 O ATOM 681 CB PRO A 45 13.840 -13.940 -18.247 1.00 2.44 C ATOM 682 CG PRO A 45 14.437 -14.920 -17.298 1.00 44.21 C ATOM 683 CD PRO A 45 14.469 -16.235 -18.027 1.00 20.33 C ATOM 0 HA PRO A 45 13.581 -14.212 -20.424 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.180 -12.926 -18.035 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.752 -13.932 -18.176 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.440 -14.614 -17.001 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.843 -14.993 -16.387 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.329 -16.837 -17.732 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.578 -16.829 -17.823 1.00 20.33 H new ATOM 691 N LEU A 46 15.419 -12.766 -21.026 1.00 64.14 N ATOM 692 CA LEU A 46 16.546 -11.981 -21.519 1.00 65.52 C ATOM 693 C LEU A 46 16.598 -10.616 -20.842 1.00 32.13 C ATOM 694 O LEU A 46 15.774 -9.743 -21.120 1.00 65.14 O ATOM 695 CB LEU A 46 16.446 -11.808 -23.036 1.00 61.33 C ATOM 696 CG LEU A 46 17.395 -12.667 -23.874 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.847 -14.078 -24.023 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.622 -12.033 -25.238 1.00 72.32 C ATOM 0 H LEU A 46 14.533 -12.571 -21.493 1.00 64.14 H new ATOM 0 HA LEU A 46 17.464 -12.518 -21.280 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.423 -12.030 -23.340 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.630 -10.760 -23.275 1.00 61.33 H new ATOM 0 HG LEU A 46 18.354 -12.725 -23.359 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.535 -14.674 -24.622 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.737 -14.531 -23.038 1.00 34.30 H new ATOM 0 HD13 LEU A 46 15.876 -14.041 -24.516 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.299 -12.657 -25.821 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.670 -11.944 -25.761 1.00 72.32 H new ATOM 0 HD23 LEU A 46 18.060 -11.043 -25.111 1.00 72.32 H new ATOM 710 N ILE A 47 17.571 -10.438 -19.955 1.00 14.12 N ATOM 711 CA ILE A 47 17.732 -9.178 -19.241 1.00 74.30 C ATOM 712 C ILE A 47 17.749 -7.997 -20.207 1.00 14.44 C ATOM 713 O ILE A 47 18.681 -7.840 -20.996 1.00 31.41 O ATOM 714 CB ILE A 47 19.027 -9.164 -18.407 1.00 0.44 C ATOM 715 CG1 ILE A 47 18.789 -9.817 -17.045 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.532 -7.739 -18.236 1.00 33.01 C ATOM 717 CD1 ILE A 47 18.188 -11.203 -17.136 1.00 44.14 C ATOM 0 H ILE A 47 18.260 -11.151 -19.714 1.00 14.12 H new ATOM 0 HA ILE A 47 16.878 -9.084 -18.571 1.00 74.30 H new ATOM 0 HB ILE A 47 19.788 -9.737 -18.936 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.736 -9.875 -16.508 1.00 30.24 H new ATOM 0 HG13 ILE A 47 18.128 -9.181 -16.457 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.448 -7.746 -17.645 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.736 -7.305 -19.215 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.775 -7.143 -17.726 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.047 -11.605 -16.133 1.00 44.14 H new ATOM 0 HD12 ILE A 47 17.225 -11.149 -17.644 1.00 44.14 H new ATOM 0 HD13 ILE A 47 18.859 -11.854 -17.697 1.00 44.14 H new ATOM 729 N LYS A 48 16.714 -7.167 -20.137 1.00 15.21 N ATOM 730 CA LYS A 48 16.611 -5.998 -21.003 1.00 3.13 C ATOM 731 C LYS A 48 17.681 -4.969 -20.656 1.00 43.44 C ATOM 732 O LYS A 48 17.811 -4.558 -19.502 1.00 42.12 O ATOM 733 CB LYS A 48 15.223 -5.367 -20.878 1.00 15.03 C ATOM 734 CG LYS A 48 14.658 -4.872 -22.199 1.00 21.42 C ATOM 735 CD LYS A 48 13.209 -5.290 -22.377 1.00 24.00 C ATOM 736 CE LYS A 48 12.410 -4.230 -23.120 1.00 64.10 C ATOM 737 NZ LYS A 48 13.085 -3.809 -24.379 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.934 -7.282 -19.489 1.00 15.21 H new ATOM 0 HA LYS A 48 16.765 -6.324 -22.032 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.538 -6.099 -20.451 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.274 -4.532 -20.179 1.00 15.03 H new ATOM 0 HG2 LYS A 48 14.732 -3.785 -22.243 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.255 -5.266 -23.022 1.00 21.42 H new ATOM 0 HD2 LYS A 48 13.165 -6.231 -22.926 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.758 -5.469 -21.401 1.00 24.00 H new ATOM 0 HE2 LYS A 48 11.418 -4.619 -23.352 1.00 64.10 H new ATOM 0 HE3 LYS A 48 12.270 -3.362 -22.475 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 12.427 -3.246 -24.954 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 13.922 -3.236 -24.149 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 13.379 -4.651 -24.914 1.00 1.32 H new ATOM 751 N SER A 49 18.445 -4.554 -21.662 1.00 43.44 N ATOM 752 CA SER A 49 19.507 -3.575 -21.462 1.00 72.14 C ATOM 753 C SER A 49 19.161 -2.254 -22.144 1.00 60.13 C ATOM 754 O SER A 49 18.213 -2.175 -22.925 1.00 5.42 O ATOM 755 CB SER A 49 20.834 -4.109 -22.005 1.00 41.12 C ATOM 756 OG SER A 49 21.925 -3.651 -21.226 1.00 21.32 O ATOM 0 H SER A 49 18.348 -4.881 -22.623 1.00 43.44 H new ATOM 0 HA SER A 49 19.607 -3.398 -20.391 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.817 -5.199 -22.008 1.00 41.12 H new ATOM 0 HB3 SER A 49 20.962 -3.790 -23.039 1.00 41.12 H new ATOM 0 HG SER A 49 22.761 -4.007 -21.592 1.00 21.32 H new ATOM 762 N HIS A 50 19.938 -1.219 -21.841 1.00 41.43 N ATOM 763 CA HIS A 50 19.716 0.100 -22.425 1.00 30.33 C ATOM 764 C HIS A 50 20.116 0.118 -23.897 1.00 5.15 C ATOM 765 O HIS A 50 19.847 1.082 -24.612 1.00 32.14 O ATOM 766 CB HIS A 50 20.506 1.161 -21.657 1.00 41.03 C ATOM 767 CG HIS A 50 20.182 2.564 -22.069 1.00 40.43 C ATOM 768 ND1 HIS A 50 21.119 3.575 -22.098 1.00 11.43 N ATOM 769 CD2 HIS A 50 19.017 3.121 -22.472 1.00 70.45 C ATOM 770 CE1 HIS A 50 20.543 4.694 -22.499 1.00 0.03 C ATOM 771 NE2 HIS A 50 19.267 4.446 -22.733 1.00 34.54 N ATOM 0 H HIS A 50 20.726 -1.267 -21.195 1.00 41.43 H new ATOM 0 HA HIS A 50 18.652 0.327 -22.353 1.00 30.33 H new ATOM 0 HB2 HIS A 50 20.308 1.049 -20.591 1.00 41.03 H new ATOM 0 HB3 HIS A 50 21.572 0.985 -21.803 1.00 41.03 H new ATOM 0 HD2 HIS A 50 18.067 2.617 -22.570 1.00 70.45 H new ATOM 0 HE1 HIS A 50 21.032 5.650 -22.616 1.00 0.03 H new ATOM 0 HE2 HIS A 50 18.580 5.127 -23.055 1.00 34.54 H new ATOM 779 N ASN A 51 20.762 -0.956 -24.343 1.00 15.24 N ATOM 780 CA ASN A 51 21.200 -1.063 -25.729 1.00 64.25 C ATOM 781 C ASN A 51 20.385 -2.113 -26.478 1.00 63.54 C ATOM 782 O ASN A 51 19.938 -1.882 -27.601 1.00 35.54 O ATOM 783 CB ASN A 51 22.687 -1.417 -25.789 1.00 63.32 C ATOM 784 CG ASN A 51 23.578 -0.221 -25.512 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.336 0.544 -24.579 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.615 -0.055 -26.325 1.00 71.10 N ATOM 0 H ASN A 51 20.993 -1.763 -23.764 1.00 15.24 H new ATOM 0 HA ASN A 51 21.043 -0.097 -26.209 1.00 64.25 H new ATOM 0 HB2 ASN A 51 22.900 -2.201 -25.063 1.00 63.32 H new ATOM 0 HB3 ASN A 51 22.922 -1.821 -26.774 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.249 0.732 -26.188 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.777 -0.715 -27.086 1.00 71.10 H new ATOM 793 N ASP A 52 20.196 -3.267 -25.847 1.00 2.33 N ATOM 794 CA ASP A 52 19.433 -4.353 -26.453 1.00 51.51 C ATOM 795 C ASP A 52 19.179 -5.467 -25.442 1.00 40.41 C ATOM 796 O ASP A 52 19.458 -5.316 -24.252 1.00 50.31 O ATOM 797 CB ASP A 52 20.175 -4.910 -27.669 1.00 20.42 C ATOM 798 CG ASP A 52 21.529 -5.487 -27.306 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.572 -6.443 -26.504 1.00 62.31 O ATOM 800 OD2 ASP A 52 22.547 -4.981 -27.825 1.00 62.02 O1- ATOM 0 H ASP A 52 20.560 -3.475 -24.917 1.00 2.33 H new ATOM 0 HA ASP A 52 18.472 -3.953 -26.776 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.568 -5.684 -28.139 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.307 -4.117 -28.405 1.00 20.42 H new ATOM 805 N PHE A 53 18.645 -6.585 -25.924 1.00 23.22 N ATOM 806 CA PHE A 53 18.351 -7.724 -25.063 1.00 74.32 C ATOM 807 C PHE A 53 19.581 -8.609 -24.890 1.00 74.52 C ATOM 808 O PHE A 53 20.448 -8.663 -25.763 1.00 63.11 O ATOM 809 CB PHE A 53 17.197 -8.544 -25.642 1.00 20.02 C ATOM 810 CG PHE A 53 16.012 -7.712 -26.046 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.972 -7.098 -27.288 1.00 41.23 C ATOM 812 CD2 PHE A 53 14.941 -7.543 -25.184 1.00 71.15 C ATOM 813 CE1 PHE A 53 14.884 -6.332 -27.661 1.00 25.13 C ATOM 814 CE2 PHE A 53 13.851 -6.778 -25.552 1.00 34.33 C ATOM 815 CZ PHE A 53 13.821 -6.172 -26.792 1.00 23.43 C ATOM 0 H PHE A 53 18.407 -6.726 -26.906 1.00 23.22 H new ATOM 0 HA PHE A 53 18.061 -7.341 -24.085 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.555 -9.097 -26.510 1.00 20.02 H new ATOM 0 HB3 PHE A 53 16.879 -9.280 -24.904 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.800 -7.219 -27.971 1.00 41.23 H new ATOM 0 HD2 PHE A 53 14.958 -8.015 -24.213 1.00 71.15 H new ATOM 0 HE1 PHE A 53 14.864 -5.858 -28.631 1.00 25.13 H new ATOM 0 HE2 PHE A 53 13.023 -6.654 -24.870 1.00 34.33 H new ATOM 0 HZ PHE A 53 12.969 -5.575 -27.082 1.00 23.43 H new ATOM 825 N VAL A 54 19.652 -9.300 -23.758 1.00 60.01 N ATOM 826 CA VAL A 54 20.777 -10.183 -23.470 1.00 21.43 C ATOM 827 C VAL A 54 20.352 -11.338 -22.570 1.00 43.31 C ATOM 828 O VAL A 54 19.327 -11.266 -21.891 1.00 73.14 O ATOM 829 CB VAL A 54 21.932 -9.419 -22.795 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.624 -8.506 -23.794 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.420 -8.626 -21.602 1.00 4.03 C ATOM 0 H VAL A 54 18.944 -9.266 -23.024 1.00 60.01 H new ATOM 0 HA VAL A 54 21.122 -10.578 -24.425 1.00 21.43 H new ATOM 0 HB VAL A 54 22.662 -10.144 -22.435 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.437 -7.975 -23.299 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.026 -9.102 -24.614 1.00 42.10 H new ATOM 0 HG13 VAL A 54 21.906 -7.786 -24.187 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.249 -8.092 -21.137 1.00 4.03 H new ATOM 0 HG22 VAL A 54 20.669 -7.910 -21.936 1.00 4.03 H new ATOM 0 HG23 VAL A 54 20.974 -9.307 -20.877 1.00 4.03 H new ATOM 841 N ALA A 55 21.146 -12.404 -22.570 1.00 4.51 N ATOM 842 CA ALA A 55 20.854 -13.574 -21.752 1.00 54.01 C ATOM 843 C ALA A 55 22.094 -14.039 -20.996 1.00 32.03 C ATOM 844 O ALA A 55 23.208 -13.986 -21.520 1.00 42.01 O ATOM 845 CB ALA A 55 20.307 -14.700 -22.617 1.00 40.42 C ATOM 0 H ALA A 55 21.997 -12.481 -23.128 1.00 4.51 H new ATOM 0 HA ALA A 55 20.098 -13.294 -21.019 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.093 -15.568 -21.993 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.390 -14.371 -23.106 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.045 -14.970 -23.373 1.00 40.42 H new ATOM 851 N ILE A 56 21.895 -14.496 -19.764 1.00 34.40 N ATOM 852 CA ILE A 56 22.998 -14.971 -18.938 1.00 21.40 C ATOM 853 C ILE A 56 22.610 -16.235 -18.178 1.00 72.24 C ATOM 854 O ILE A 56 21.639 -16.244 -17.422 1.00 72.43 O ATOM 855 CB ILE A 56 23.450 -13.898 -17.931 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.826 -12.607 -18.662 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.622 -14.406 -17.105 1.00 41.55 C ATOM 858 CD1 ILE A 56 25.008 -12.762 -19.592 1.00 74.44 C ATOM 0 H ILE A 56 20.980 -14.547 -19.316 1.00 34.40 H new ATOM 0 HA ILE A 56 23.824 -15.195 -19.613 1.00 21.40 H new ATOM 0 HB ILE A 56 22.622 -13.683 -17.256 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.966 -12.260 -19.235 1.00 71.52 H new ATOM 0 HG13 ILE A 56 24.052 -11.835 -17.926 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.930 -13.636 -16.398 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.322 -15.301 -16.559 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.455 -14.646 -17.765 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.218 -11.808 -20.076 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.881 -13.079 -19.021 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.779 -13.511 -20.350 1.00 74.44 H new ATOM 870 N LEU A 57 23.378 -17.300 -18.383 1.00 23.15 N ATOM 871 CA LEU A 57 23.117 -18.570 -17.715 1.00 22.42 C ATOM 872 C LEU A 57 24.399 -19.382 -17.567 1.00 52.54 C ATOM 873 O LEU A 57 25.191 -19.487 -18.504 1.00 60.35 O ATOM 874 CB LEU A 57 22.077 -19.376 -18.497 1.00 74.01 C ATOM 875 CG LEU A 57 22.043 -19.141 -20.007 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.560 -20.388 -20.731 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.156 -17.950 -20.341 1.00 20.50 C ATOM 0 H LEU A 57 24.186 -17.309 -19.006 1.00 23.15 H new ATOM 0 HA LEU A 57 22.728 -18.355 -16.720 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.259 -20.436 -18.318 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.091 -19.149 -18.092 1.00 74.01 H new ATOM 0 HG LEU A 57 23.056 -18.920 -20.344 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.542 -20.201 -21.805 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.235 -21.217 -20.518 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.556 -20.641 -20.390 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.143 -17.797 -21.420 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.142 -18.142 -19.990 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.547 -17.057 -19.853 1.00 20.50 H new ATOM 889 N ASP A 58 24.598 -19.955 -16.385 1.00 34.22 N ATOM 890 CA ASP A 58 25.784 -20.760 -16.116 1.00 0.11 C ATOM 891 C ASP A 58 25.700 -22.107 -16.828 1.00 63.43 C ATOM 892 O ASP A 58 24.947 -22.992 -16.420 1.00 41.24 O ATOM 893 CB ASP A 58 25.948 -20.976 -14.611 1.00 24.31 C ATOM 894 CG ASP A 58 25.567 -19.750 -13.805 1.00 42.33 C ATOM 895 OD1 ASP A 58 24.356 -19.535 -13.588 1.00 2.41 O ATOM 896 OD2 ASP A 58 26.479 -19.004 -13.391 1.00 22.34 O1- ATOM 0 H ASP A 58 23.954 -19.877 -15.598 1.00 34.22 H new ATOM 0 HA ASP A 58 26.652 -20.222 -16.496 1.00 0.11 H new ATOM 0 HB2 ASP A 58 25.331 -21.819 -14.299 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.983 -21.241 -14.396 1.00 24.31 H new ATOM 901 N LEU A 59 26.476 -22.254 -17.896 1.00 33.22 N ATOM 902 CA LEU A 59 26.489 -23.492 -18.667 1.00 60.20 C ATOM 903 C LEU A 59 27.842 -24.187 -18.559 1.00 1.03 C ATOM 904 O LEU A 59 28.877 -23.554 -18.350 1.00 70.11 O ATOM 905 CB LEU A 59 26.166 -23.206 -20.135 1.00 32.04 C ATOM 906 CG LEU A 59 24.989 -22.264 -20.393 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.057 -21.698 -21.802 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.669 -22.988 -20.169 1.00 1.32 C ATOM 0 H LEU A 59 27.104 -21.531 -18.248 1.00 33.22 H new ATOM 0 HA LEU A 59 25.727 -24.154 -18.256 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.054 -22.783 -20.606 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.962 -24.154 -20.633 1.00 32.04 H new ATOM 0 HG LEU A 59 25.050 -21.435 -19.688 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.211 -21.030 -21.967 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.987 -21.144 -21.927 1.00 43.15 H new ATOM 0 HD13 LEU A 59 25.021 -22.514 -22.524 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.842 -22.303 -20.357 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.599 -23.836 -20.850 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.619 -23.343 -19.140 1.00 1.32 H new ATOM 920 N PRO A 60 27.837 -25.521 -18.705 1.00 53.42 N ATOM 921 CA PRO A 60 29.056 -26.330 -18.630 1.00 72.32 C ATOM 922 C PRO A 60 29.976 -26.105 -19.825 1.00 43.23 C ATOM 923 O PRO A 60 29.519 -25.771 -20.917 1.00 43.11 O ATOM 924 CB PRO A 60 28.528 -27.768 -18.626 1.00 45.22 C ATOM 925 CG PRO A 60 27.207 -27.688 -19.309 1.00 34.34 C ATOM 926 CD PRO A 60 26.639 -26.340 -18.957 1.00 31.23 C ATOM 0 HA PRO A 60 29.658 -26.079 -17.756 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.206 -28.440 -19.152 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.426 -28.150 -17.610 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.319 -27.795 -20.388 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.547 -28.489 -18.976 1.00 34.34 H new ATOM 0 HD2 PRO A 60 26.037 -25.933 -19.770 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.995 -26.392 -18.079 1.00 31.23 H new ATOM 934 N GLU A 61 31.275 -26.289 -19.609 1.00 34.34 N ATOM 935 CA GLU A 61 32.259 -26.104 -20.670 1.00 51.40 C ATOM 936 C GLU A 61 32.036 -27.107 -21.798 1.00 71.00 C ATOM 937 O GLU A 61 32.134 -28.317 -21.597 1.00 52.22 O ATOM 938 CB GLU A 61 33.676 -26.254 -20.113 1.00 14.52 C ATOM 939 CG GLU A 61 34.757 -26.206 -21.179 1.00 12.24 C ATOM 940 CD GLU A 61 35.124 -27.582 -21.700 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.182 -28.528 -20.886 1.00 62.21 O ATOM 942 OE2 GLU A 61 35.355 -27.713 -22.920 1.00 14.15 O1- ATOM 0 H GLU A 61 31.670 -26.566 -18.710 1.00 34.34 H new ATOM 0 HA GLU A 61 32.139 -25.098 -21.072 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.858 -25.461 -19.387 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.748 -27.200 -19.577 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.417 -25.586 -22.009 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.646 -25.728 -20.768 1.00 12.24 H new ATOM 949 N GLY A 62 31.736 -26.593 -22.988 1.00 75.14 N ATOM 950 CA GLY A 62 31.503 -27.456 -24.131 1.00 3.44 C ATOM 951 C GLY A 62 30.763 -26.749 -25.250 1.00 3.40 C ATOM 952 O GLY A 62 31.064 -25.600 -25.572 1.00 30.13 O ATOM 0 H GLY A 62 31.650 -25.595 -23.180 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.458 -27.823 -24.506 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.930 -28.327 -23.814 1.00 3.44 H new ATOM 956 N GLU A 63 29.794 -27.438 -25.844 1.00 44.04 N ATOM 957 CA GLU A 63 29.013 -26.870 -26.935 1.00 31.31 C ATOM 958 C GLU A 63 27.528 -27.171 -26.756 1.00 34.40 C ATOM 959 O GLU A 63 27.182 -28.286 -26.366 1.00 55.14 O ATOM 960 CB GLU A 63 29.496 -27.418 -28.279 1.00 71.45 C ATOM 961 CG GLU A 63 28.622 -27.010 -29.453 1.00 41.01 C ATOM 962 CD GLU A 63 29.055 -27.656 -30.755 1.00 64.35 C ATOM 963 OE1 GLU A 63 28.987 -28.899 -30.853 1.00 63.41 O1- ATOM 964 OE2 GLU A 63 29.461 -26.917 -31.677 1.00 13.32 O ATOM 0 H GLU A 63 29.532 -28.390 -25.588 1.00 44.04 H new ATOM 0 HA GLU A 63 29.152 -25.789 -26.921 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.514 -27.072 -28.458 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.533 -28.506 -28.226 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.588 -27.282 -29.243 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.650 -25.926 -29.563 1.00 41.01 H new ATOM 971 N HIS A 64 26.692 -26.183 -27.038 1.00 11.42 N ATOM 972 CA HIS A 64 25.256 -26.354 -26.903 1.00 43.11 C ATOM 973 C HIS A 64 24.539 -25.569 -28.004 1.00 20.11 C ATOM 974 O HIS A 64 25.121 -24.730 -28.690 1.00 22.41 O ATOM 975 CB HIS A 64 24.791 -25.964 -25.499 1.00 0.52 C ATOM 976 CG HIS A 64 25.918 -25.764 -24.513 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.249 -26.703 -23.551 1.00 23.24 N ATOM 978 CD2 HIS A 64 26.787 -24.726 -24.352 1.00 51.01 C ATOM 979 CE1 HIS A 64 27.271 -26.240 -22.847 1.00 5.41 C ATOM 980 NE2 HIS A 64 27.603 -25.014 -23.345 1.00 33.03 N ATOM 0 H HIS A 64 26.982 -25.260 -27.360 1.00 11.42 H new ATOM 0 HA HIS A 64 24.999 -27.406 -27.028 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.209 -25.044 -25.562 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.123 -26.738 -25.120 1.00 0.52 H new ATOM 0 HD1 HIS A 64 25.784 -27.600 -23.408 1.00 23.24 H new ATOM 0 HD2 HIS A 64 26.808 -23.823 -24.943 1.00 51.01 H new ATOM 0 HE1 HIS A 64 27.756 -26.744 -22.024 1.00 5.41 H new ATOM 988 N GLN A 65 23.252 -25.864 -28.156 1.00 1.42 N ATOM 989 CA GLN A 65 22.432 -25.203 -29.164 1.00 75.43 C ATOM 990 C GLN A 65 21.222 -24.529 -28.525 1.00 40.13 C ATOM 991 O GLN A 65 20.464 -25.160 -27.787 1.00 52.02 O ATOM 992 CB GLN A 65 21.970 -26.210 -30.218 1.00 73.02 C ATOM 993 CG GLN A 65 22.931 -26.350 -31.388 1.00 71.31 C ATOM 994 CD GLN A 65 23.136 -27.792 -31.807 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.401 -28.319 -32.642 1.00 5.51 O ATOM 996 NE2 GLN A 65 24.140 -28.439 -31.227 1.00 53.03 N ATOM 0 H GLN A 65 22.755 -26.556 -27.595 1.00 1.42 H new ATOM 0 HA GLN A 65 23.041 -24.437 -29.645 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.841 -27.184 -29.746 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.993 -25.907 -30.595 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.550 -25.780 -32.236 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.893 -25.914 -31.117 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.724 -27.963 -30.540 1.00 53.03 H new ATOM 0 HE22 GLN A 65 24.327 -29.412 -31.469 1.00 53.03 H new ATOM 1005 N TYR A 66 21.048 -23.244 -28.810 1.00 4.15 N ATOM 1006 CA TYR A 66 19.932 -22.483 -28.260 1.00 72.34 C ATOM 1007 C TYR A 66 19.078 -21.886 -29.375 1.00 74.34 C ATOM 1008 O TYR A 66 19.381 -22.042 -30.557 1.00 1.32 O ATOM 1009 CB TYR A 66 20.448 -21.370 -27.346 1.00 10.24 C ATOM 1010 CG TYR A 66 21.246 -20.311 -28.072 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.575 -20.528 -28.414 1.00 2.13 C ATOM 1012 CD2 TYR A 66 20.673 -19.093 -28.415 1.00 40.20 C ATOM 1013 CE1 TYR A 66 23.309 -19.564 -29.077 1.00 71.43 C ATOM 1014 CE2 TYR A 66 21.398 -18.123 -29.079 1.00 2.40 C ATOM 1015 CZ TYR A 66 22.716 -18.364 -29.407 1.00 22.23 C ATOM 1016 OH TYR A 66 23.443 -17.400 -30.067 1.00 12.33 O ATOM 0 H TYR A 66 21.665 -22.707 -29.419 1.00 4.15 H new ATOM 0 HA TYR A 66 19.312 -23.165 -27.677 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.601 -20.897 -26.849 1.00 10.24 H new ATOM 0 HB3 TYR A 66 21.070 -21.811 -26.566 1.00 10.24 H new ATOM 0 HD1 TYR A 66 23.042 -21.467 -28.157 1.00 2.13 H new ATOM 0 HD2 TYR A 66 19.642 -18.901 -28.158 1.00 40.20 H new ATOM 0 HE1 TYR A 66 24.341 -19.749 -29.335 1.00 71.43 H new ATOM 0 HE2 TYR A 66 20.936 -17.182 -29.340 1.00 2.40 H new ATOM 0 HH TYR A 66 23.085 -17.282 -30.972 1.00 12.33 H new ATOM 1026 N LYS A 67 18.007 -21.200 -28.988 1.00 53.20 N ATOM 1027 CA LYS A 67 17.108 -20.577 -29.952 1.00 62.12 C ATOM 1028 C LYS A 67 16.418 -19.359 -29.344 1.00 21.43 C ATOM 1029 O LYS A 67 16.066 -19.358 -28.164 1.00 63.05 O ATOM 1030 CB LYS A 67 16.060 -21.584 -30.429 1.00 52.15 C ATOM 1031 CG LYS A 67 15.145 -21.044 -31.513 1.00 4.31 C ATOM 1032 CD LYS A 67 15.810 -21.091 -32.879 1.00 75.43 C ATOM 1033 CE LYS A 67 14.886 -20.565 -33.967 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.793 -21.526 -34.278 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.741 -21.062 -28.013 1.00 53.20 H new ATOM 0 HA LYS A 67 17.702 -20.249 -30.805 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.567 -22.473 -30.803 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.455 -21.897 -29.578 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.224 -21.626 -31.536 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.867 -20.017 -31.278 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.725 -20.499 -32.860 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.098 -22.117 -33.109 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.455 -19.615 -33.650 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.464 -20.367 -34.870 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.067 -21.052 -34.853 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.181 -22.334 -34.806 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.366 -21.865 -33.392 1.00 33.33 H new ATOM 1048 N PHE A 68 16.227 -18.326 -30.157 1.00 0.13 N ATOM 1049 CA PHE A 68 15.578 -17.103 -29.699 1.00 34.41 C ATOM 1050 C PHE A 68 14.070 -17.172 -29.919 1.00 74.51 C ATOM 1051 O PHE A 68 13.597 -17.824 -30.850 1.00 43.04 O ATOM 1052 CB PHE A 68 16.157 -15.890 -30.430 1.00 21.54 C ATOM 1053 CG PHE A 68 17.515 -15.483 -29.935 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.773 -15.390 -28.576 1.00 24.44 C ATOM 1055 CD2 PHE A 68 18.535 -15.194 -30.827 1.00 45.22 C ATOM 1056 CE1 PHE A 68 19.022 -15.016 -28.118 1.00 64.40 C ATOM 1057 CE2 PHE A 68 19.786 -14.820 -30.375 1.00 21.32 C ATOM 1058 CZ PHE A 68 20.031 -14.732 -29.019 1.00 60.24 C ATOM 0 H PHE A 68 16.512 -18.311 -31.136 1.00 0.13 H new ATOM 0 HA PHE A 68 15.766 -16.999 -28.630 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.219 -16.114 -31.495 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.472 -15.049 -30.320 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.989 -15.612 -27.867 1.00 24.44 H new ATOM 0 HD2 PHE A 68 18.350 -15.262 -31.889 1.00 45.22 H new ATOM 0 HE1 PHE A 68 19.210 -14.946 -27.057 1.00 64.40 H new ATOM 0 HE2 PHE A 68 20.572 -14.597 -31.082 1.00 21.32 H new ATOM 0 HZ PHE A 68 21.009 -14.442 -28.663 1.00 60.24 H new ATOM 1068 N PHE A 69 13.320 -16.495 -29.056 1.00 64.40 N ATOM 1069 CA PHE A 69 11.866 -16.479 -29.154 1.00 63.41 C ATOM 1070 C PHE A 69 11.322 -15.067 -28.963 1.00 34.32 C ATOM 1071 O PHE A 69 11.130 -14.609 -27.837 1.00 62.44 O ATOM 1072 CB PHE A 69 11.253 -17.418 -28.112 1.00 5.13 C ATOM 1073 CG PHE A 69 9.751 -17.418 -28.115 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.046 -18.286 -28.933 1.00 42.11 C ATOM 1075 CD2 PHE A 69 9.044 -16.551 -27.297 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.664 -18.286 -28.937 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.662 -16.547 -27.297 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.971 -17.417 -28.117 1.00 3.22 C ATOM 0 H PHE A 69 13.696 -15.950 -28.280 1.00 64.40 H new ATOM 0 HA PHE A 69 11.591 -16.823 -30.151 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.609 -18.432 -28.294 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.606 -17.130 -27.122 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.582 -18.970 -29.574 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.579 -15.870 -26.652 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.126 -18.965 -29.581 1.00 52.12 H new ATOM 0 HE2 PHE A 69 7.123 -15.864 -26.657 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.891 -17.418 -28.117 1.00 3.22 H new ATOM 1088 N VAL A 70 11.076 -14.378 -30.075 1.00 51.23 N ATOM 1089 CA VAL A 70 10.554 -13.018 -30.031 1.00 53.12 C ATOM 1090 C VAL A 70 9.252 -12.903 -30.816 1.00 13.23 C ATOM 1091 O VAL A 70 9.026 -13.645 -31.773 1.00 23.10 O ATOM 1092 CB VAL A 70 11.572 -12.009 -30.595 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.111 -10.583 -30.334 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.949 -12.251 -29.997 1.00 41.35 C ATOM 0 H VAL A 70 11.230 -14.740 -31.016 1.00 51.23 H new ATOM 0 HA VAL A 70 10.364 -12.785 -28.983 1.00 53.12 H new ATOM 0 HB VAL A 70 11.640 -12.152 -31.673 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.843 -9.884 -30.739 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.147 -10.419 -30.815 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.013 -10.423 -29.260 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.656 -11.529 -30.407 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.901 -12.137 -28.914 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.279 -13.261 -30.241 1.00 41.35 H new ATOM 1104 N ASP A 71 8.401 -11.970 -30.406 1.00 3.15 N ATOM 1105 CA ASP A 71 7.121 -11.757 -31.072 1.00 54.03 C ATOM 1106 C ASP A 71 6.231 -12.989 -30.945 1.00 20.14 C ATOM 1107 O ASP A 71 5.520 -13.351 -31.881 1.00 62.44 O ATOM 1108 CB ASP A 71 7.340 -11.419 -32.548 1.00 64.34 C ATOM 1109 CG ASP A 71 6.210 -10.590 -33.126 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.083 -10.674 -32.597 1.00 51.33 O1- ATOM 1111 OD2 ASP A 71 6.454 -9.858 -34.108 1.00 63.53 O ATOM 0 H ASP A 71 8.574 -11.349 -29.616 1.00 3.15 H new ATOM 0 HA ASP A 71 6.621 -10.919 -30.586 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.278 -10.876 -32.658 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.438 -12.343 -33.119 1.00 64.34 H new ATOM 1116 N GLY A 72 6.276 -13.629 -29.781 1.00 2.30 N ATOM 1117 CA GLY A 72 5.471 -14.814 -29.553 1.00 30.24 C ATOM 1118 C GLY A 72 5.769 -15.918 -30.549 1.00 72.25 C ATOM 1119 O GLY A 72 4.879 -16.679 -30.924 1.00 21.11 O ATOM 0 H GLY A 72 6.856 -13.347 -28.991 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.650 -15.182 -28.543 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.415 -14.550 -29.613 1.00 30.24 H new ATOM 1123 N GLN A 73 7.024 -16.003 -30.977 1.00 45.23 N ATOM 1124 CA GLN A 73 7.436 -17.020 -31.936 1.00 20.11 C ATOM 1125 C GLN A 73 8.939 -17.267 -31.857 1.00 25.04 C ATOM 1126 O GLN A 73 9.689 -16.429 -31.355 1.00 32.35 O ATOM 1127 CB GLN A 73 7.050 -16.600 -33.355 1.00 33.33 C ATOM 1128 CG GLN A 73 7.807 -15.380 -33.856 1.00 51.12 C ATOM 1129 CD GLN A 73 7.635 -15.156 -35.345 1.00 31.44 C ATOM 1130 OE1 GLN A 73 6.903 -14.262 -35.769 1.00 52.31 O ATOM 1131 NE2 GLN A 73 8.311 -15.969 -36.149 1.00 32.52 N ATOM 0 H GLN A 73 7.773 -15.380 -30.675 1.00 45.23 H new ATOM 0 HA GLN A 73 6.921 -17.948 -31.687 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.231 -17.434 -34.034 1.00 33.33 H new ATOM 0 HB3 GLN A 73 5.981 -16.391 -33.385 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.462 -14.497 -33.318 1.00 51.12 H new ATOM 0 HG3 GLN A 73 8.867 -15.497 -33.630 1.00 51.12 H new ATOM 0 HE21 GLN A 73 8.907 -16.697 -35.755 1.00 32.52 H new ATOM 0 HE22 GLN A 73 8.234 -15.865 -37.161 1.00 32.52 H new ATOM 1140 N TRP A 74 9.372 -18.418 -32.356 1.00 23.22 N ATOM 1141 CA TRP A 74 10.786 -18.775 -32.341 1.00 12.20 C ATOM 1142 C TRP A 74 11.508 -18.187 -33.549 1.00 60.11 C ATOM 1143 O TRP A 74 11.211 -18.536 -34.692 1.00 24.22 O ATOM 1144 CB TRP A 74 10.951 -20.295 -32.323 1.00 50.12 C ATOM 1145 CG TRP A 74 10.541 -20.921 -31.024 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.358 -21.548 -30.754 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.311 -20.977 -29.819 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.348 -21.991 -29.453 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.535 -21.654 -28.858 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.584 -20.524 -29.458 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.989 -21.887 -27.563 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 13.033 -20.755 -28.173 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.238 -21.432 -27.238 1.00 52.42 C ATOM 0 H TRP A 74 8.764 -19.121 -32.776 1.00 23.22 H new ATOM 0 HA TRP A 74 11.230 -18.359 -31.437 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.359 -20.727 -33.129 1.00 50.12 H new ATOM 0 HB3 TRP A 74 11.993 -20.543 -32.525 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.550 -21.677 -31.459 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.581 -22.490 -29.003 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.205 -20.003 -30.172 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.378 -22.408 -26.841 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 14.014 -20.408 -27.883 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.619 -21.598 -26.241 1.00 52.42 H new ATOM 1164 N VAL A 75 12.459 -17.295 -33.291 1.00 42.22 N ATOM 1165 CA VAL A 75 13.224 -16.661 -34.357 1.00 53.15 C ATOM 1166 C VAL A 75 14.720 -16.880 -34.165 1.00 42.43 C ATOM 1167 O VAL A 75 15.163 -17.322 -33.104 1.00 15.11 O ATOM 1168 CB VAL A 75 12.942 -15.148 -34.427 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.472 -14.892 -34.719 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.364 -14.468 -33.134 1.00 33.52 C ATOM 0 H VAL A 75 12.718 -16.995 -32.351 1.00 42.22 H new ATOM 0 HA VAL A 75 12.909 -17.125 -35.292 1.00 53.15 H new ATOM 0 HB VAL A 75 13.528 -14.724 -35.242 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.292 -13.818 -34.765 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.206 -15.345 -35.674 1.00 25.31 H new ATOM 0 HG13 VAL A 75 10.862 -15.329 -33.928 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.158 -13.400 -33.201 1.00 33.52 H new ATOM 0 HG22 VAL A 75 12.806 -14.894 -32.300 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.431 -14.622 -32.973 1.00 33.52 H new ATOM 1180 N HIS A 76 15.495 -16.567 -35.199 1.00 54.12 N ATOM 1181 CA HIS A 76 16.945 -16.729 -35.144 1.00 10.02 C ATOM 1182 C HIS A 76 17.639 -15.723 -36.057 1.00 43.22 C ATOM 1183 O HIS A 76 17.042 -15.221 -37.009 1.00 33.44 O ATOM 1184 CB HIS A 76 17.335 -18.152 -35.541 1.00 62.13 C ATOM 1185 CG HIS A 76 17.169 -18.431 -37.004 1.00 63.23 C ATOM 1186 ND1 HIS A 76 16.154 -19.216 -37.509 1.00 33.14 N ATOM 1187 CD2 HIS A 76 17.896 -18.025 -38.071 1.00 1.42 C ATOM 1188 CE1 HIS A 76 16.265 -19.281 -38.825 1.00 52.22 C ATOM 1189 NE2 HIS A 76 17.313 -18.566 -39.190 1.00 14.42 N ATOM 0 H HIS A 76 15.144 -16.200 -36.084 1.00 54.12 H new ATOM 0 HA HIS A 76 17.269 -16.545 -34.120 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.374 -18.327 -35.261 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.729 -18.858 -34.973 1.00 62.13 H new ATOM 0 HD2 HIS A 76 18.772 -17.393 -38.047 1.00 1.42 H new ATOM 0 HE1 HIS A 76 15.610 -19.826 -39.488 1.00 52.22 H new ATOM 0 HE2 HIS A 76 17.637 -18.436 -40.148 1.00 14.42 H new ATOM 1197 N ASP A 77 18.900 -15.434 -35.760 1.00 61.11 N ATOM 1198 CA ASP A 77 19.675 -14.489 -36.554 1.00 41.41 C ATOM 1199 C ASP A 77 20.560 -15.220 -37.559 1.00 24.02 C ATOM 1200 O ASP A 77 21.234 -16.198 -37.233 1.00 23.04 O ATOM 1201 CB ASP A 77 20.535 -13.609 -35.645 1.00 44.44 C ATOM 1202 CG ASP A 77 20.724 -12.211 -36.201 1.00 1.12 C ATOM 1203 OD1 ASP A 77 19.714 -11.578 -36.572 1.00 34.33 O ATOM 1204 OD2 ASP A 77 21.883 -11.751 -36.265 1.00 10.11 O1- ATOM 0 H ASP A 77 19.408 -15.841 -34.975 1.00 61.11 H new ATOM 0 HA ASP A 77 18.977 -13.857 -37.103 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.071 -13.546 -34.661 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.510 -14.077 -35.508 1.00 44.44 H new ATOM 1209 N PRO A 78 20.559 -14.737 -38.811 1.00 15.43 N ATOM 1210 CA PRO A 78 21.355 -15.330 -39.888 1.00 4.43 C ATOM 1211 C PRO A 78 22.851 -15.102 -39.698 1.00 61.31 C ATOM 1212 O PRO A 78 23.676 -15.819 -40.266 1.00 23.50 O ATOM 1213 CB PRO A 78 20.859 -14.601 -41.140 1.00 61.03 C ATOM 1214 CG PRO A 78 20.341 -13.299 -40.637 1.00 70.11 C ATOM 1215 CD PRO A 78 19.780 -13.575 -39.269 1.00 31.15 C ATOM 0 HA PRO A 78 21.236 -16.413 -39.932 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.665 -14.456 -41.859 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.079 -15.169 -41.646 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.136 -12.555 -40.589 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.573 -12.902 -41.301 1.00 70.11 H new ATOM 0 HD2 PRO A 78 19.904 -12.720 -38.604 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.713 -13.796 -39.309 1.00 31.15 H new ATOM 1223 N SER A 79 23.194 -14.101 -38.894 1.00 34.01 N ATOM 1224 CA SER A 79 24.591 -13.777 -38.630 1.00 21.01 C ATOM 1225 C SER A 79 25.216 -14.793 -37.680 1.00 1.21 C ATOM 1226 O SER A 79 26.413 -15.070 -37.750 1.00 44.53 O ATOM 1227 CB SER A 79 24.707 -12.370 -38.039 1.00 32.35 C ATOM 1228 OG SER A 79 24.831 -11.396 -39.061 1.00 23.51 O ATOM 0 H SER A 79 22.524 -13.500 -38.414 1.00 34.01 H new ATOM 0 HA SER A 79 25.131 -13.812 -39.576 1.00 21.01 H new ATOM 0 HB2 SER A 79 23.828 -12.154 -37.431 1.00 32.35 H new ATOM 0 HB3 SER A 79 25.572 -12.320 -37.378 1.00 32.35 H new ATOM 0 HG SER A 79 24.902 -10.506 -38.658 1.00 23.51 H new ATOM 1234 N GLU A 80 24.394 -15.346 -36.792 1.00 41.40 N ATOM 1235 CA GLU A 80 24.865 -16.332 -35.826 1.00 72.34 C ATOM 1236 C GLU A 80 24.954 -17.717 -36.462 1.00 21.05 C ATOM 1237 O GLU A 80 24.341 -17.994 -37.494 1.00 74.53 O ATOM 1238 CB GLU A 80 23.935 -16.374 -34.612 1.00 2.30 C ATOM 1239 CG GLU A 80 24.323 -15.398 -33.514 1.00 10.13 C ATOM 1240 CD GLU A 80 23.304 -15.346 -32.393 1.00 3.42 C ATOM 1241 OE1 GLU A 80 22.467 -16.269 -32.309 1.00 21.22 O1- ATOM 1242 OE2 GLU A 80 23.344 -14.382 -31.600 1.00 15.10 O ATOM 0 H GLU A 80 23.400 -15.128 -36.722 1.00 41.40 H new ATOM 0 HA GLU A 80 25.862 -16.036 -35.500 1.00 72.34 H new ATOM 0 HB2 GLU A 80 22.917 -16.157 -34.937 1.00 2.30 H new ATOM 0 HB3 GLU A 80 23.930 -17.384 -34.203 1.00 2.30 H new ATOM 0 HG2 GLU A 80 25.293 -15.683 -33.106 1.00 10.13 H new ATOM 0 HG3 GLU A 80 24.438 -14.402 -33.942 1.00 10.13 H new ATOM 1249 N PRO A 81 25.734 -18.607 -35.833 1.00 13.13 N ATOM 1250 CA PRO A 81 25.923 -19.978 -36.317 1.00 34.44 C ATOM 1251 C PRO A 81 24.664 -20.825 -36.162 1.00 52.34 C ATOM 1252 O PRO A 81 24.526 -21.578 -35.198 1.00 32.21 O ATOM 1253 CB PRO A 81 27.045 -20.518 -35.427 1.00 71.33 C ATOM 1254 CG PRO A 81 26.959 -19.712 -34.178 1.00 70.53 C ATOM 1255 CD PRO A 81 26.495 -18.345 -34.598 1.00 61.31 C ATOM 0 HA PRO A 81 26.155 -20.006 -37.382 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.912 -21.580 -35.223 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.018 -20.405 -35.905 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.261 -20.161 -33.471 1.00 70.53 H new ATOM 0 HG3 PRO A 81 27.927 -19.660 -33.680 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.873 -17.879 -33.834 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.334 -17.673 -34.778 1.00 61.31 H new ATOM 1263 N VAL A 82 23.749 -20.698 -37.118 1.00 53.33 N ATOM 1264 CA VAL A 82 22.503 -21.453 -37.088 1.00 75.02 C ATOM 1265 C VAL A 82 22.639 -22.769 -37.848 1.00 72.11 C ATOM 1266 O VAL A 82 23.504 -22.913 -38.711 1.00 30.20 O ATOM 1267 CB VAL A 82 21.341 -20.642 -37.693 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.129 -19.351 -36.918 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.601 -20.354 -39.164 1.00 55.33 C ATOM 0 H VAL A 82 23.848 -20.079 -37.923 1.00 53.33 H new ATOM 0 HA VAL A 82 22.285 -21.662 -36.041 1.00 75.02 H new ATOM 0 HB VAL A 82 20.430 -21.236 -37.618 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.304 -18.792 -37.360 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.893 -19.584 -35.880 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.037 -18.750 -36.958 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.770 -19.780 -39.575 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.523 -19.781 -39.265 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.697 -21.294 -39.707 1.00 55.33 H new ATOM 1279 N VAL A 83 21.777 -23.726 -37.520 1.00 45.51 N ATOM 1280 CA VAL A 83 21.800 -25.030 -38.172 1.00 23.24 C ATOM 1281 C VAL A 83 20.429 -25.694 -38.120 1.00 60.32 C ATOM 1282 O VAL A 83 19.730 -25.625 -37.108 1.00 51.55 O ATOM 1283 CB VAL A 83 22.836 -25.965 -37.520 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.439 -26.288 -36.088 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.993 -27.238 -38.338 1.00 63.11 C ATOM 0 H VAL A 83 21.055 -23.623 -36.807 1.00 45.51 H new ATOM 0 HA VAL A 83 22.079 -24.859 -39.212 1.00 23.24 H new ATOM 0 HB VAL A 83 23.798 -25.453 -37.498 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.183 -26.950 -35.645 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.382 -25.366 -35.509 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.467 -26.780 -36.082 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.729 -27.887 -37.863 1.00 63.11 H new ATOM 0 HG22 VAL A 83 22.035 -27.755 -38.394 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.328 -26.985 -39.344 1.00 63.11 H new ATOM 1377 N ILE A 90 15.291 -24.919 -37.272 1.00 10.10 N ATOM 1378 CA ILE A 90 16.515 -24.129 -37.213 1.00 62.35 C ATOM 1379 C ILE A 90 16.843 -23.730 -35.778 1.00 75.12 C ATOM 1380 O ILE A 90 15.949 -23.430 -34.988 1.00 35.51 O ATOM 1381 CB ILE A 90 16.406 -22.858 -38.075 1.00 41.43 C ATOM 1382 CG1 ILE A 90 15.915 -23.210 -39.481 1.00 0.30 C ATOM 1383 CG2 ILE A 90 17.749 -22.146 -38.141 1.00 75.22 C ATOM 1384 CD1 ILE A 90 16.861 -24.110 -40.245 1.00 52.12 C ATOM 0 HA ILE A 90 17.315 -24.757 -37.605 1.00 62.35 H new ATOM 0 HB ILE A 90 15.682 -22.186 -37.615 1.00 41.43 H new ATOM 0 HG12 ILE A 90 14.943 -23.698 -39.406 1.00 0.30 H new ATOM 0 HG13 ILE A 90 15.766 -22.290 -40.046 1.00 0.30 H new ATOM 0 HG21 ILE A 90 17.656 -21.249 -38.754 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.063 -21.867 -37.135 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.492 -22.811 -38.581 1.00 75.22 H new ATOM 0 HD11 ILE A 90 16.448 -24.317 -41.232 1.00 52.12 H new ATOM 0 HD12 ILE A 90 17.827 -23.616 -40.352 1.00 52.12 H new ATOM 0 HD13 ILE A 90 16.991 -25.046 -39.702 1.00 52.12 H new ATOM 1396 N ASN A 91 18.130 -23.728 -35.450 1.00 74.31 N ATOM 1397 CA ASN A 91 18.577 -23.365 -34.111 1.00 40.23 C ATOM 1398 C ASN A 91 19.987 -22.784 -34.146 1.00 12.32 C ATOM 1399 O ASN A 91 20.771 -23.087 -35.044 1.00 61.32 O ATOM 1400 CB ASN A 91 18.538 -24.585 -33.188 1.00 75.11 C ATOM 1401 CG ASN A 91 19.016 -25.847 -33.880 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.343 -26.376 -34.765 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.184 -26.337 -33.478 1.00 13.21 N ATOM 0 H ASN A 91 18.882 -23.974 -36.093 1.00 74.31 H new ATOM 0 HA ASN A 91 17.900 -22.604 -33.724 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.160 -24.396 -32.313 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.520 -24.734 -32.829 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.556 -27.184 -33.907 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.708 -25.866 -32.741 1.00 13.21 H new ATOM 1410 N ASN A 92 20.303 -21.949 -33.161 1.00 4.32 N ATOM 1411 CA ASN A 92 21.619 -21.326 -33.079 1.00 54.51 C ATOM 1412 C ASN A 92 22.642 -22.293 -32.491 1.00 33.33 C ATOM 1413 O ASN A 92 22.310 -23.423 -32.131 1.00 14.13 O ATOM 1414 CB ASN A 92 21.553 -20.056 -32.229 1.00 61.45 C ATOM 1415 CG ASN A 92 20.637 -19.006 -32.829 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.489 -18.855 -32.408 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.142 -18.275 -33.816 1.00 23.44 N ATOM 0 H ASN A 92 19.666 -21.688 -32.409 1.00 4.32 H new ATOM 0 HA ASN A 92 21.933 -21.063 -34.089 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.204 -20.310 -31.228 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.555 -19.641 -32.122 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.573 -17.553 -34.258 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.099 -18.436 -34.132 1.00 23.44 H new ATOM 1424 N LEU A 93 23.888 -21.840 -32.394 1.00 32.05 N ATOM 1425 CA LEU A 93 24.961 -22.664 -31.848 1.00 34.14 C ATOM 1426 C LEU A 93 25.849 -21.851 -30.912 1.00 2.14 C ATOM 1427 O LEU A 93 26.252 -20.734 -31.237 1.00 5.21 O ATOM 1428 CB LEU A 93 25.802 -23.256 -32.980 1.00 74.14 C ATOM 1429 CG LEU A 93 26.996 -24.110 -32.554 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.549 -25.228 -31.625 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.708 -24.680 -33.773 1.00 72.43 C ATOM 0 H LEU A 93 24.180 -20.907 -32.686 1.00 32.05 H new ATOM 0 HA LEU A 93 24.509 -23.475 -31.277 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.152 -23.864 -33.609 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.169 -22.437 -33.599 1.00 74.14 H new ATOM 0 HG LEU A 93 27.697 -23.474 -32.013 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.413 -25.825 -31.332 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.086 -24.799 -30.736 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.827 -25.862 -32.140 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.555 -25.285 -33.450 1.00 72.43 H new ATOM 0 HD22 LEU A 93 27.015 -25.300 -34.342 1.00 72.43 H new ATOM 0 HD23 LEU A 93 28.064 -23.864 -34.401 1.00 72.43 H new ATOM 1443 N ILE A 94 26.152 -22.420 -29.750 1.00 14.30 N ATOM 1444 CA ILE A 94 26.995 -21.749 -28.769 1.00 21.03 C ATOM 1445 C ILE A 94 28.124 -22.660 -28.299 1.00 2.32 C ATOM 1446 O ILE A 94 27.941 -23.869 -28.152 1.00 25.24 O ATOM 1447 CB ILE A 94 26.179 -21.291 -27.546 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.087 -20.587 -26.535 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.479 -22.477 -26.901 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.456 -19.364 -25.905 1.00 45.44 C ATOM 0 H ILE A 94 25.826 -23.344 -29.465 1.00 14.30 H new ATOM 0 HA ILE A 94 27.418 -20.874 -29.263 1.00 21.03 H new ATOM 0 HB ILE A 94 25.419 -20.584 -27.879 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.357 -21.292 -25.749 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.012 -20.294 -27.032 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.907 -22.136 -26.038 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.806 -22.939 -27.623 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.222 -23.207 -26.579 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.156 -18.916 -25.199 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.211 -18.640 -26.682 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.546 -19.654 -25.379 1.00 45.44 H new ATOM 1462 N HIS A 95 29.293 -22.072 -28.065 1.00 34.15 N ATOM 1463 CA HIS A 95 30.453 -22.830 -27.609 1.00 64.32 C ATOM 1464 C HIS A 95 31.058 -22.200 -26.359 1.00 64.02 C ATOM 1465 O HIS A 95 31.644 -21.120 -26.418 1.00 35.41 O ATOM 1466 CB HIS A 95 31.505 -22.907 -28.717 1.00 24.45 C ATOM 1467 CG HIS A 95 30.938 -23.248 -30.060 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.732 -22.310 -31.049 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.533 -24.432 -30.575 1.00 34.13 C ATOM 1470 CE1 HIS A 95 30.225 -22.902 -32.116 1.00 5.54 C ATOM 1471 NE2 HIS A 95 30.095 -24.191 -31.854 1.00 74.23 N ATOM 0 H HIS A 95 29.462 -21.073 -28.184 1.00 34.15 H new ATOM 0 HA HIS A 95 30.122 -23.839 -27.361 1.00 64.32 H new ATOM 0 HB2 HIS A 95 32.022 -21.950 -28.783 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.251 -23.654 -28.447 1.00 24.45 H new ATOM 0 HD1 HIS A 95 30.939 -21.314 -30.970 1.00 4.01 H new ATOM 0 HD2 HIS A 95 30.551 -25.388 -30.074 1.00 34.13 H new ATOM 0 HE1 HIS A 95 29.962 -22.416 -33.044 1.00 5.54 H new ATOM 1479 N VAL A 96 30.910 -22.882 -25.228 1.00 71.10 N ATOM 1480 CA VAL A 96 31.441 -22.389 -23.963 1.00 11.24 C ATOM 1481 C VAL A 96 32.757 -23.076 -23.615 1.00 23.32 C ATOM 1482 O VAL A 96 32.928 -24.271 -23.853 1.00 52.24 O ATOM 1483 CB VAL A 96 30.441 -22.604 -22.811 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.043 -22.151 -21.489 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.138 -21.871 -23.093 1.00 41.02 C ATOM 0 H VAL A 96 30.427 -23.778 -25.162 1.00 71.10 H new ATOM 0 HA VAL A 96 31.614 -21.320 -24.088 1.00 11.24 H new ATOM 0 HB VAL A 96 30.223 -23.669 -22.736 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.322 -22.311 -20.687 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.946 -22.726 -21.285 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.293 -21.092 -21.547 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.443 -22.034 -22.269 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.336 -20.804 -23.196 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.700 -22.249 -24.017 1.00 41.02 H new