USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 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=-0.66,f=-0.72) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.659 X(o=-0.66,f=-0.72) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 25 SER OG : rot 45:sc= 0.0681 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -91:sc= -0.659 USER MOD Single : A 36 SER OG : rot 180:sc=-0.00863 USER MOD Single : A 38 ASN : amide:sc= -4.13! C(o=-4.1!,f=-9.7!) USER MOD Single : A 39 ASN : amide:sc= -0.0539 K(o=-0.054,f=-1.5) USER MOD Single : A 41 SER OG : rot -50:sc= 0.0279 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -143:sc= 0.886 (180deg=0.296) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0644 K(o=-0.064,f=-2.1!) USER MOD Single : A 64 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-0.74) USER MOD Single : A 66 TYR OH : rot -158:sc= -0.274 USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= -0.286 (180deg=-1.73!) USER MOD Single : A 73 GLN : amide:sc= -0.934 K(o=-0.93,f=-1.7!) USER MOD Single : A 76 HIS : no HD1:sc= -4.8! K(o=-4.8!,f=-2) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.32) USER MOD Single : A 95 HIS : no HE2:sc= -3.06 K(o=-3.1,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.594 -22.796 -13.347 1.00 12.42 N ATOM 234 CA ALA A 17 29.762 -22.655 -14.788 1.00 42.35 C ATOM 235 C ALA A 17 29.786 -21.186 -15.196 1.00 62.44 C ATOM 236 O ALA A 17 29.216 -20.333 -14.515 1.00 42.53 O ATOM 237 CB ALA A 17 28.652 -23.391 -15.523 1.00 33.33 C ATOM 0 HA ALA A 17 30.720 -23.097 -15.063 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.790 -23.277 -16.598 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.683 -24.449 -15.263 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.687 -22.975 -15.235 1.00 33.33 H new ATOM 243 N ARG A 18 30.450 -20.896 -16.311 1.00 70.43 N ATOM 244 CA ARG A 18 30.550 -19.529 -16.808 1.00 32.44 C ATOM 245 C ARG A 18 29.252 -19.101 -17.486 1.00 34.41 C ATOM 246 O ARG A 18 28.448 -19.926 -17.920 1.00 12.32 O ATOM 247 CB ARG A 18 31.716 -19.406 -17.790 1.00 12.31 C ATOM 248 CG ARG A 18 32.928 -18.694 -17.211 1.00 64.34 C ATOM 249 CD ARG A 18 33.870 -18.218 -18.306 1.00 1.20 C ATOM 250 NE ARG A 18 34.003 -16.764 -18.320 1.00 31.54 N ATOM 251 CZ ARG A 18 34.666 -16.077 -17.396 1.00 74.52 C ATOM 252 NH1 ARG A 18 35.254 -16.710 -16.391 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 34.743 -14.755 -17.478 1.00 25.53 N ATOM 0 H ARG A 18 30.927 -21.590 -16.887 1.00 70.43 H new ATOM 0 HA ARG A 18 30.729 -18.871 -15.957 1.00 32.44 H new ATOM 0 HB2 ARG A 18 32.012 -20.403 -18.116 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.378 -18.868 -18.676 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.601 -17.842 -16.615 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.460 -19.367 -16.539 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.851 -18.670 -18.162 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.502 -18.558 -19.274 1.00 1.20 H new ATOM 0 HE ARG A 18 33.563 -16.247 -19.081 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.198 -17.726 -16.326 1.00 5.14 H new ATOM 0 HH12 ARG A 18 35.763 -16.181 -15.683 1.00 5.14 H new ATOM 0 HH21 ARG A 18 34.293 -14.265 -18.251 1.00 25.53 H new ATOM 0 HH22 ARG A 18 35.252 -14.229 -16.768 1.00 25.53 H new ATOM 267 N PRO A 19 29.041 -17.781 -17.579 1.00 3.15 N ATOM 268 CA PRO A 19 27.842 -17.212 -18.203 1.00 23.40 C ATOM 269 C PRO A 19 27.819 -17.422 -19.713 1.00 70.32 C ATOM 270 O PRO A 19 28.846 -17.720 -20.325 1.00 5.33 O ATOM 271 CB PRO A 19 27.943 -15.721 -17.870 1.00 44.10 C ATOM 272 CG PRO A 19 29.398 -15.474 -17.674 1.00 71.22 C ATOM 273 CD PRO A 19 29.957 -16.739 -17.084 1.00 71.44 C ATOM 0 HA PRO A 19 26.929 -17.683 -17.838 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.543 -15.107 -18.677 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.376 -15.477 -16.972 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.884 -15.237 -18.620 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.564 -14.627 -17.009 1.00 71.22 H new ATOM 0 HD2 PRO A 19 30.982 -16.916 -17.411 1.00 71.44 H new ATOM 0 HD3 PRO A 19 29.972 -16.702 -15.995 1.00 71.44 H new ATOM 281 N THR A 20 26.643 -17.263 -20.310 1.00 62.41 N ATOM 282 CA THR A 20 26.487 -17.435 -21.749 1.00 11.43 C ATOM 283 C THR A 20 26.592 -16.100 -22.477 1.00 21.11 C ATOM 284 O THR A 20 26.352 -15.042 -21.894 1.00 33.42 O ATOM 285 CB THR A 20 25.135 -18.089 -22.093 1.00 72.41 C ATOM 286 OG1 THR A 20 25.141 -18.540 -23.452 1.00 51.10 O ATOM 287 CG2 THR A 20 23.991 -17.108 -21.884 1.00 52.22 C ATOM 0 H THR A 20 25.784 -17.015 -19.819 1.00 62.41 H new ATOM 0 HA THR A 20 27.294 -18.090 -22.078 1.00 11.43 H new ATOM 0 HB THR A 20 24.989 -18.941 -21.429 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.279 -18.956 -23.662 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.047 -17.592 -22.133 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.971 -16.789 -20.842 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.134 -16.240 -22.527 1.00 52.22 H new ATOM 295 N VAL A 21 26.953 -16.155 -23.755 1.00 64.42 N ATOM 296 CA VAL A 21 27.089 -14.949 -24.564 1.00 34.44 C ATOM 297 C VAL A 21 25.923 -14.806 -25.536 1.00 4.33 C ATOM 298 O VAL A 21 25.901 -15.437 -26.593 1.00 53.11 O ATOM 299 CB VAL A 21 28.408 -14.953 -25.360 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.553 -13.667 -26.160 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.593 -15.146 -24.425 1.00 42.33 C ATOM 0 H VAL A 21 27.157 -17.022 -24.253 1.00 64.42 H new ATOM 0 HA VAL A 21 27.091 -14.104 -23.875 1.00 34.44 H new ATOM 0 HB VAL A 21 28.387 -15.788 -26.061 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.490 -13.688 -26.716 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.720 -13.576 -26.857 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.553 -12.814 -25.481 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.517 -15.146 -25.004 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.620 -14.333 -23.699 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.492 -16.097 -23.902 1.00 42.33 H new ATOM 311 N ILE A 22 24.956 -13.971 -25.171 1.00 22.23 N ATOM 312 CA ILE A 22 23.788 -13.742 -26.011 1.00 2.23 C ATOM 313 C ILE A 22 23.528 -12.252 -26.200 1.00 11.25 C ATOM 314 O ILE A 22 23.652 -11.466 -25.260 1.00 71.43 O ATOM 315 CB ILE A 22 22.528 -14.399 -25.415 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.414 -15.852 -25.880 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.285 -13.613 -25.806 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.952 -16.851 -24.879 1.00 75.24 C ATOM 0 H ILE A 22 24.959 -13.442 -24.299 1.00 22.23 H new ATOM 0 HA ILE A 22 24.003 -14.196 -26.978 1.00 2.23 H new ATOM 0 HB ILE A 22 22.612 -14.391 -24.328 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.367 -16.079 -26.081 1.00 14.22 H new ATOM 0 HG13 ILE A 22 22.952 -15.967 -26.821 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.403 -14.090 -25.377 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.366 -12.593 -25.429 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.194 -13.592 -26.892 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.839 -17.860 -25.275 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.007 -16.650 -24.695 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.398 -16.764 -23.944 1.00 75.24 H new ATOM 330 N ARG A 23 23.168 -11.870 -27.421 1.00 22.13 N ATOM 331 CA ARG A 23 22.891 -10.473 -27.733 1.00 2.21 C ATOM 332 C ARG A 23 21.894 -10.360 -28.883 1.00 24.52 C ATOM 333 O ARG A 23 22.235 -10.611 -30.040 1.00 2.42 O ATOM 334 CB ARG A 23 24.185 -9.742 -28.094 1.00 42.34 C ATOM 335 CG ARG A 23 24.993 -10.433 -29.180 1.00 24.01 C ATOM 336 CD ARG A 23 26.414 -9.896 -29.246 1.00 73.43 C ATOM 337 NE ARG A 23 27.333 -10.853 -29.856 1.00 13.23 N ATOM 338 CZ ARG A 23 27.437 -11.039 -31.167 1.00 71.22 C ATOM 339 NH1 ARG A 23 26.683 -10.336 -32.001 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 28.297 -11.928 -31.647 1.00 52.22 N ATOM 0 H ARG A 23 23.061 -12.508 -28.210 1.00 22.13 H new ATOM 0 HA ARG A 23 22.454 -10.010 -26.848 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.942 -8.731 -28.422 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.801 -9.648 -27.199 1.00 42.34 H new ATOM 0 HG2 ARG A 23 25.017 -11.506 -28.990 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.504 -10.291 -30.144 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.425 -8.968 -29.818 1.00 73.43 H new ATOM 0 HD3 ARG A 23 26.757 -9.654 -28.240 1.00 73.43 H new ATOM 0 HE ARG A 23 27.928 -11.409 -29.242 1.00 13.23 H new ATOM 0 HH11 ARG A 23 26.021 -9.651 -31.636 1.00 41.22 H new ATOM 0 HH12 ARG A 23 26.765 -10.481 -33.007 1.00 41.22 H new ATOM 0 HH21 ARG A 23 28.880 -12.470 -31.009 1.00 52.22 H new ATOM 0 HH22 ARG A 23 28.375 -12.069 -32.654 1.00 52.22 H new ATOM 354 N TRP A 24 20.663 -9.982 -28.557 1.00 71.11 N ATOM 355 CA TRP A 24 19.617 -9.838 -29.563 1.00 14.11 C ATOM 356 C TRP A 24 19.163 -8.386 -29.671 1.00 74.11 C ATOM 357 O TRP A 24 18.921 -7.724 -28.661 1.00 40.02 O ATOM 358 CB TRP A 24 18.425 -10.733 -29.221 1.00 23.53 C ATOM 359 CG TRP A 24 17.238 -10.507 -30.108 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.195 -9.656 -29.880 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.973 -11.143 -31.364 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.296 -9.724 -30.918 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.752 -10.628 -31.842 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.650 -12.094 -32.132 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.195 -11.036 -33.051 1.00 23.31 C ATOM 366 CZ3 TRP A 24 17.095 -12.498 -33.331 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.879 -11.968 -33.782 1.00 42.54 C ATOM 0 H TRP A 24 20.365 -9.770 -27.605 1.00 71.11 H new ATOM 0 HA TRP A 24 20.028 -10.144 -30.525 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.731 -11.777 -29.294 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.134 -10.558 -28.185 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.091 -9.022 -29.012 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.431 -9.189 -30.989 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.590 -12.506 -31.795 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.256 -10.631 -33.399 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.607 -13.235 -33.931 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.474 -12.302 -34.726 1.00 42.54 H new ATOM 378 N SER A 25 19.050 -7.896 -30.902 1.00 14.13 N ATOM 379 CA SER A 25 18.628 -6.521 -31.140 1.00 42.24 C ATOM 380 C SER A 25 17.587 -6.458 -32.254 1.00 64.44 C ATOM 381 O SER A 25 17.905 -6.645 -33.427 1.00 51.21 O ATOM 382 CB SER A 25 19.834 -5.652 -31.505 1.00 73.05 C ATOM 383 OG SER A 25 20.682 -6.316 -32.425 1.00 65.11 O ATOM 0 H SER A 25 19.245 -8.430 -31.749 1.00 14.13 H new ATOM 0 HA SER A 25 18.178 -6.141 -30.223 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.491 -4.711 -31.936 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.394 -5.404 -30.603 1.00 73.05 H new ATOM 0 HG SER A 25 20.141 -6.722 -33.134 1.00 65.11 H new ATOM 389 N GLU A 26 16.340 -6.191 -31.876 1.00 53.54 N ATOM 390 CA GLU A 26 15.251 -6.105 -32.841 1.00 53.15 C ATOM 391 C GLU A 26 14.246 -5.032 -32.432 1.00 73.25 C ATOM 392 O GLU A 26 14.088 -4.022 -33.115 1.00 53.42 O ATOM 393 CB GLU A 26 14.547 -7.456 -32.972 1.00 25.03 C ATOM 394 CG GLU A 26 13.624 -7.548 -34.177 1.00 61.21 C ATOM 395 CD GLU A 26 14.381 -7.735 -35.478 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.199 -8.675 -35.557 1.00 31.44 O ATOM 397 OE2 GLU A 26 14.154 -6.942 -36.415 1.00 63.14 O1- ATOM 0 H GLU A 26 16.060 -6.031 -30.908 1.00 53.54 H new ATOM 0 HA GLU A 26 15.676 -5.831 -33.807 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.298 -8.243 -33.040 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.969 -7.644 -32.067 1.00 25.03 H new ATOM 0 HG2 GLU A 26 12.934 -8.381 -34.039 1.00 61.21 H new ATOM 0 HG3 GLU A 26 13.021 -6.642 -34.239 1.00 61.21 H new ATOM 404 N GLY A 27 13.568 -5.262 -31.311 1.00 44.43 N ATOM 405 CA GLY A 27 12.586 -4.307 -30.830 1.00 31.34 C ATOM 406 C GLY A 27 11.234 -4.945 -30.576 1.00 63.32 C ATOM 407 O GLY A 27 10.196 -4.349 -30.857 1.00 61.55 O ATOM 0 H GLY A 27 13.681 -6.091 -30.728 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.948 -3.851 -29.909 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.475 -3.505 -31.560 1.00 31.34 H new ATOM 411 N GLY A 28 11.247 -6.163 -30.042 1.00 21.34 N ATOM 412 CA GLY A 28 10.008 -6.863 -29.760 1.00 62.33 C ATOM 413 C GLY A 28 9.426 -6.491 -28.411 1.00 50.05 C ATOM 414 O GLY A 28 9.812 -5.485 -27.816 1.00 23.31 O ATOM 0 H GLY A 28 12.094 -6.677 -29.800 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.281 -6.638 -30.540 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.186 -7.938 -29.791 1.00 62.33 H new ATOM 418 N LYS A 29 8.493 -7.303 -27.927 1.00 15.42 N ATOM 419 CA LYS A 29 7.855 -7.056 -26.640 1.00 45.44 C ATOM 420 C LYS A 29 8.487 -7.910 -25.545 1.00 12.10 C ATOM 421 O LYS A 29 8.680 -7.451 -24.421 1.00 63.53 O ATOM 422 CB LYS A 29 6.355 -7.346 -26.725 1.00 41.32 C ATOM 423 CG LYS A 29 5.604 -6.401 -27.647 1.00 72.44 C ATOM 424 CD LYS A 29 4.166 -6.208 -27.198 1.00 52.45 C ATOM 425 CE LYS A 29 3.463 -5.137 -28.018 1.00 71.52 C ATOM 426 NZ LYS A 29 1.984 -5.308 -28.002 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.161 -8.139 -28.408 1.00 15.42 H new ATOM 0 HA LYS A 29 8.002 -6.006 -26.388 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.210 -8.369 -27.071 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.924 -7.284 -25.726 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.111 -5.436 -27.672 1.00 72.44 H new ATOM 0 HG3 LYS A 29 5.619 -6.795 -28.663 1.00 72.44 H new ATOM 0 HD2 LYS A 29 3.626 -7.150 -27.290 1.00 52.45 H new ATOM 0 HD3 LYS A 29 4.147 -5.931 -26.144 1.00 52.45 H new ATOM 0 HE2 LYS A 29 3.719 -4.153 -27.626 1.00 71.52 H new ATOM 0 HE3 LYS A 29 3.822 -5.173 -29.047 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 1.542 -4.559 -28.572 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 1.738 -6.237 -28.400 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 1.638 -5.248 -27.023 1.00 53.32 H new ATOM 440 N GLU A 30 8.809 -9.154 -25.885 1.00 44.21 N ATOM 441 CA GLU A 30 9.419 -10.072 -24.930 1.00 11.54 C ATOM 442 C GLU A 30 10.349 -11.055 -25.638 1.00 2.32 C ATOM 443 O GLU A 30 9.977 -11.665 -26.640 1.00 51.51 O ATOM 444 CB GLU A 30 8.340 -10.837 -24.161 1.00 14.34 C ATOM 445 CG GLU A 30 7.530 -11.783 -25.031 1.00 21.41 C ATOM 446 CD GLU A 30 6.308 -12.330 -24.317 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.575 -11.530 -23.699 1.00 2.20 O ATOM 448 OE2 GLU A 30 6.086 -13.557 -24.374 1.00 74.24 O1- ATOM 0 H GLU A 30 8.658 -9.549 -26.813 1.00 44.21 H new ATOM 0 HA GLU A 30 10.007 -9.484 -24.226 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.811 -11.407 -23.360 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.665 -10.122 -23.690 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.215 -11.260 -25.934 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.163 -12.612 -25.347 1.00 21.41 H new ATOM 455 N VAL A 31 11.559 -11.201 -25.110 1.00 1.21 N ATOM 456 CA VAL A 31 12.542 -12.108 -25.689 1.00 20.01 C ATOM 457 C VAL A 31 12.897 -13.228 -24.716 1.00 24.24 C ATOM 458 O VAL A 31 13.093 -12.991 -23.524 1.00 60.13 O ATOM 459 CB VAL A 31 13.829 -11.362 -26.088 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.805 -12.308 -26.771 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.502 -10.179 -26.986 1.00 53.33 C ATOM 0 H VAL A 31 11.883 -10.702 -24.281 1.00 1.21 H new ATOM 0 HA VAL A 31 12.088 -12.537 -26.583 1.00 20.01 H new ATOM 0 HB VAL A 31 14.303 -10.981 -25.183 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.708 -11.763 -27.046 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.063 -13.119 -26.090 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.344 -12.721 -27.668 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.423 -9.663 -27.258 1.00 53.33 H new ATOM 0 HG22 VAL A 31 13.004 -10.534 -27.889 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.844 -9.491 -26.456 1.00 53.33 H new ATOM 471 N PHE A 32 12.979 -14.449 -25.233 1.00 63.42 N ATOM 472 CA PHE A 32 13.310 -15.607 -24.411 1.00 64.12 C ATOM 473 C PHE A 32 14.289 -16.527 -25.135 1.00 21.54 C ATOM 474 O PHE A 32 14.255 -16.646 -26.360 1.00 42.43 O ATOM 475 CB PHE A 32 12.041 -16.381 -24.046 1.00 75.51 C ATOM 476 CG PHE A 32 11.143 -15.644 -23.094 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.351 -15.719 -21.726 1.00 72.34 C ATOM 478 CD2 PHE A 32 10.091 -14.877 -23.566 1.00 62.05 C ATOM 479 CE1 PHE A 32 10.526 -15.042 -20.847 1.00 32.23 C ATOM 480 CE2 PHE A 32 9.264 -14.197 -22.692 1.00 3.23 C ATOM 481 CZ PHE A 32 9.481 -14.281 -21.331 1.00 24.12 C ATOM 0 H PHE A 32 12.821 -14.662 -26.218 1.00 63.42 H new ATOM 0 HA PHE A 32 13.784 -15.248 -23.497 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.486 -16.604 -24.957 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.322 -17.336 -23.602 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.167 -16.313 -21.342 1.00 72.34 H new ATOM 0 HD2 PHE A 32 9.915 -14.809 -24.629 1.00 62.05 H new ATOM 0 HE1 PHE A 32 10.699 -15.108 -19.783 1.00 32.23 H new ATOM 0 HE2 PHE A 32 8.449 -13.600 -23.073 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.834 -13.752 -20.646 1.00 24.12 H new ATOM 491 N ILE A 33 15.161 -17.174 -24.369 1.00 13.35 N ATOM 492 CA ILE A 33 16.148 -18.083 -24.936 1.00 22.33 C ATOM 493 C ILE A 33 15.984 -19.492 -24.378 1.00 62.43 C ATOM 494 O ILE A 33 15.676 -19.672 -23.200 1.00 63.03 O ATOM 495 CB ILE A 33 17.584 -17.598 -24.661 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.595 -18.500 -25.369 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.853 -17.563 -23.163 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.035 -18.163 -25.048 1.00 22.31 C ATOM 0 H ILE A 33 15.204 -17.085 -23.354 1.00 13.35 H new ATOM 0 HA ILE A 33 15.978 -18.100 -26.013 1.00 22.33 H new ATOM 0 HB ILE A 33 17.692 -16.587 -25.054 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.402 -19.536 -25.091 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.444 -18.426 -26.446 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.872 -17.218 -22.984 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.150 -16.882 -22.683 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.730 -18.563 -22.748 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.696 -18.843 -25.585 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.245 -17.137 -25.352 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.202 -18.265 -23.976 1.00 22.31 H new ATOM 510 N SER A 34 16.194 -20.489 -25.231 1.00 25.03 N ATOM 511 CA SER A 34 16.066 -21.884 -24.823 1.00 60.30 C ATOM 512 C SER A 34 17.037 -22.767 -25.601 1.00 10.42 C ATOM 513 O SER A 34 17.225 -22.592 -26.804 1.00 43.22 O ATOM 514 CB SER A 34 14.632 -22.371 -25.035 1.00 31.12 C ATOM 515 OG SER A 34 13.727 -21.673 -24.196 1.00 65.53 O ATOM 0 H SER A 34 16.453 -20.358 -26.209 1.00 25.03 H new ATOM 0 HA SER A 34 16.310 -21.951 -23.763 1.00 60.30 H new ATOM 0 HB2 SER A 34 14.348 -22.231 -26.078 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.573 -23.440 -24.829 1.00 31.12 H new ATOM 0 HG SER A 34 13.625 -22.157 -23.350 1.00 65.53 H new ATOM 521 N GLY A 35 17.650 -23.720 -24.905 1.00 50.42 N ATOM 522 CA GLY A 35 18.593 -24.617 -25.546 1.00 51.10 C ATOM 523 C GLY A 35 18.623 -25.986 -24.895 1.00 32.54 C ATOM 524 O GLY A 35 17.769 -26.309 -24.070 1.00 42.30 O ATOM 0 H GLY A 35 17.510 -23.886 -23.908 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.331 -24.724 -26.599 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.590 -24.178 -25.509 1.00 51.10 H new ATOM 528 N SER A 36 19.610 -26.795 -25.268 1.00 50.42 N ATOM 529 CA SER A 36 19.746 -28.139 -24.721 1.00 60.21 C ATOM 530 C SER A 36 20.200 -28.089 -23.265 1.00 34.32 C ATOM 531 O SER A 36 20.067 -29.065 -22.527 1.00 45.21 O ATOM 532 CB SER A 36 20.743 -28.953 -25.549 1.00 64.21 C ATOM 533 OG SER A 36 21.400 -29.920 -24.749 1.00 43.11 O ATOM 0 H SER A 36 20.327 -26.542 -25.947 1.00 50.42 H new ATOM 0 HA SER A 36 18.770 -28.622 -24.764 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.222 -29.448 -26.368 1.00 64.21 H new ATOM 0 HB3 SER A 36 21.479 -28.286 -25.997 1.00 64.21 H new ATOM 0 HG SER A 36 22.030 -30.428 -25.301 1.00 43.11 H new ATOM 539 N PHE A 37 20.734 -26.942 -22.857 1.00 5.12 N ATOM 540 CA PHE A 37 21.209 -26.763 -21.490 1.00 1.32 C ATOM 541 C PHE A 37 20.064 -26.913 -20.493 1.00 52.10 C ATOM 542 O PHE A 37 20.287 -27.125 -19.302 1.00 24.42 O ATOM 543 CB PHE A 37 21.863 -25.389 -21.332 1.00 52.43 C ATOM 544 CG PHE A 37 20.980 -24.251 -21.760 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.036 -23.726 -20.893 1.00 12.31 C ATOM 546 CD2 PHE A 37 21.095 -23.708 -23.029 1.00 64.24 C ATOM 547 CE1 PHE A 37 19.222 -22.680 -21.285 1.00 24.25 C ATOM 548 CE2 PHE A 37 20.284 -22.663 -23.427 1.00 64.25 C ATOM 549 CZ PHE A 37 19.347 -22.147 -22.553 1.00 63.21 C ATOM 0 H PHE A 37 20.848 -26.123 -23.454 1.00 5.12 H new ATOM 0 HA PHE A 37 21.950 -27.536 -21.284 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.144 -25.247 -20.288 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.783 -25.364 -21.916 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.935 -24.138 -19.900 1.00 12.31 H new ATOM 0 HD2 PHE A 37 21.827 -24.106 -23.715 1.00 64.24 H new ATOM 0 HE1 PHE A 37 18.489 -22.280 -20.600 1.00 24.25 H new ATOM 0 HE2 PHE A 37 20.382 -22.250 -24.420 1.00 64.25 H new ATOM 0 HZ PHE A 37 18.713 -21.328 -22.861 1.00 63.21 H new ATOM 559 N ASN A 38 18.836 -26.799 -20.990 1.00 73.11 N ATOM 560 CA ASN A 38 17.655 -26.921 -20.143 1.00 10.42 C ATOM 561 C ASN A 38 16.678 -27.943 -20.716 1.00 21.43 C ATOM 562 O ASN A 38 15.527 -28.024 -20.288 1.00 31.21 O ATOM 563 CB ASN A 38 16.964 -25.563 -19.999 1.00 72.03 C ATOM 564 CG ASN A 38 16.027 -25.265 -21.153 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.852 -25.630 -21.123 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.545 -24.599 -22.178 1.00 44.21 N ATOM 0 H ASN A 38 18.633 -26.623 -21.974 1.00 73.11 H new ATOM 0 HA ASN A 38 17.977 -27.264 -19.160 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.403 -25.541 -19.065 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.719 -24.779 -19.936 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.963 -24.370 -22.984 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.525 -24.316 -22.160 1.00 44.21 H new ATOM 573 N ASN A 39 17.145 -28.721 -21.688 1.00 32.24 N ATOM 574 CA ASN A 39 16.313 -29.737 -22.320 1.00 20.50 C ATOM 575 C ASN A 39 15.131 -29.100 -23.043 1.00 23.03 C ATOM 576 O ASN A 39 14.124 -29.757 -23.309 1.00 14.24 O ATOM 577 CB ASN A 39 15.807 -30.734 -21.274 1.00 75.11 C ATOM 578 CG ASN A 39 15.544 -32.106 -21.864 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.640 -32.302 -23.076 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.209 -33.064 -21.007 1.00 64.12 N ATOM 0 H ASN A 39 18.095 -28.666 -22.054 1.00 32.24 H new ATOM 0 HA ASN A 39 16.923 -30.266 -23.053 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.541 -30.820 -20.473 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.890 -30.352 -20.826 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.019 -34.007 -21.345 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.141 -32.856 -20.011 1.00 64.12 H new ATOM 587 N TRP A 40 15.261 -27.817 -23.361 1.00 1.42 N ATOM 588 CA TRP A 40 14.204 -27.091 -24.055 1.00 70.44 C ATOM 589 C TRP A 40 12.866 -27.263 -23.343 1.00 14.41 C ATOM 590 O TRP A 40 11.814 -27.310 -23.981 1.00 75.11 O ATOM 591 CB TRP A 40 14.091 -27.573 -25.502 1.00 13.40 C ATOM 592 CG TRP A 40 15.402 -27.580 -26.230 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.413 -28.488 -26.088 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.842 -26.636 -27.210 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.455 -28.163 -26.921 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.130 -27.032 -27.621 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.274 -25.494 -27.783 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.857 -26.326 -28.576 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.997 -24.795 -28.731 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.277 -25.212 -29.121 1.00 62.54 C ATOM 0 H TRP A 40 16.088 -27.258 -23.149 1.00 1.42 H new ATOM 0 HA TRP A 40 14.463 -26.032 -24.051 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.673 -28.580 -25.511 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.390 -26.933 -26.037 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.395 -29.336 -25.419 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.330 -28.681 -27.005 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.288 -25.164 -27.490 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.844 -26.646 -28.876 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.568 -23.911 -29.180 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.816 -24.644 -29.865 1.00 62.54 H new ATOM 611 N SER A 41 12.913 -27.357 -22.018 1.00 25.55 N ATOM 612 CA SER A 41 11.705 -27.528 -21.220 1.00 24.31 C ATOM 613 C SER A 41 11.406 -26.270 -20.410 1.00 73.12 C ATOM 614 O SER A 41 10.602 -26.293 -19.478 1.00 72.53 O ATOM 615 CB SER A 41 11.853 -28.729 -20.284 1.00 23.43 C ATOM 616 OG SER A 41 10.587 -29.250 -19.919 1.00 55.35 O ATOM 0 H SER A 41 13.775 -27.318 -21.474 1.00 25.55 H new ATOM 0 HA SER A 41 10.872 -27.707 -21.900 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.442 -29.505 -20.773 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.399 -28.431 -19.389 1.00 23.43 H new ATOM 0 HG SER A 41 10.011 -28.521 -19.606 1.00 55.35 H new ATOM 622 N THR A 42 12.062 -25.171 -20.771 1.00 74.23 N ATOM 623 CA THR A 42 11.870 -23.903 -20.078 1.00 14.13 C ATOM 624 C THR A 42 12.458 -22.746 -20.877 1.00 20.24 C ATOM 625 O THR A 42 13.470 -22.901 -21.561 1.00 53.41 O ATOM 626 CB THR A 42 12.511 -23.925 -18.678 1.00 54.43 C ATOM 627 OG1 THR A 42 12.267 -22.683 -18.009 1.00 52.32 O ATOM 628 CG2 THR A 42 14.010 -24.170 -18.773 1.00 23.45 C ATOM 0 H THR A 42 12.731 -25.134 -21.540 1.00 74.23 H new ATOM 0 HA THR A 42 10.795 -23.759 -19.974 1.00 14.13 H new ATOM 0 HB THR A 42 12.061 -24.739 -18.109 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.676 -22.705 -17.119 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.441 -24.181 -17.772 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.192 -25.129 -19.257 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.472 -23.375 -19.358 1.00 23.45 H new ATOM 636 N LYS A 43 11.818 -21.585 -20.786 1.00 1.11 N ATOM 637 CA LYS A 43 12.279 -20.399 -21.497 1.00 64.11 C ATOM 638 C LYS A 43 12.995 -19.440 -20.552 1.00 3.12 C ATOM 639 O LYS A 43 12.407 -18.953 -19.585 1.00 72.24 O ATOM 640 CB LYS A 43 11.099 -19.689 -22.164 1.00 65.14 C ATOM 641 CG LYS A 43 10.657 -20.333 -23.467 1.00 42.20 C ATOM 642 CD LYS A 43 10.207 -19.293 -24.479 1.00 2.13 C ATOM 643 CE LYS A 43 9.204 -19.872 -25.464 1.00 63.12 C ATOM 644 NZ LYS A 43 7.857 -19.258 -25.310 1.00 4.54 N1+ ATOM 0 H LYS A 43 10.978 -21.440 -20.226 1.00 1.11 H new ATOM 0 HA LYS A 43 12.985 -20.718 -22.264 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.257 -19.674 -21.472 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.372 -18.651 -22.356 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.479 -20.915 -23.883 1.00 42.20 H new ATOM 0 HG3 LYS A 43 9.841 -21.029 -23.272 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.760 -18.446 -23.958 1.00 2.13 H new ATOM 0 HD3 LYS A 43 11.073 -18.913 -25.021 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.561 -19.713 -26.481 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.131 -20.949 -25.316 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.126 -19.982 -25.461 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.762 -18.865 -24.352 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 7.740 -18.497 -26.009 1.00 4.54 H new ATOM 658 N ILE A 44 14.265 -19.172 -20.837 1.00 22.14 N ATOM 659 CA ILE A 44 15.059 -18.271 -20.013 1.00 54.22 C ATOM 660 C ILE A 44 14.811 -16.815 -20.394 1.00 22.01 C ATOM 661 O ILE A 44 14.827 -16.444 -21.568 1.00 31.33 O ATOM 662 CB ILE A 44 16.564 -18.572 -20.136 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.944 -19.756 -19.244 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.382 -17.343 -19.771 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.357 -21.072 -19.705 1.00 62.32 C ATOM 0 H ILE A 44 14.766 -19.567 -21.633 1.00 22.14 H new ATOM 0 HA ILE A 44 14.748 -18.433 -18.981 1.00 54.22 H new ATOM 0 HB ILE A 44 16.783 -18.836 -21.171 1.00 4.25 H new ATOM 0 HG12 ILE A 44 18.030 -19.843 -19.212 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.611 -19.555 -18.226 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.444 -17.572 -19.863 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.128 -16.524 -20.444 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.161 -17.051 -18.744 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.668 -21.867 -19.026 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.269 -21.003 -19.710 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.711 -21.296 -20.711 1.00 62.32 H new ATOM 677 N PRO A 45 14.577 -15.968 -19.380 1.00 72.14 N ATOM 678 CA PRO A 45 14.323 -14.540 -19.585 1.00 74.30 C ATOM 679 C PRO A 45 15.567 -13.791 -20.052 1.00 3.41 C ATOM 680 O PRO A 45 16.676 -14.058 -19.588 1.00 31.12 O ATOM 681 CB PRO A 45 13.896 -14.053 -18.198 1.00 2.44 C ATOM 682 CG PRO A 45 14.525 -15.015 -17.249 1.00 44.21 C ATOM 683 CD PRO A 45 14.543 -16.341 -17.957 1.00 20.33 C ATOM 0 HA PRO A 45 13.578 -14.366 -20.361 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.237 -13.034 -18.014 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.811 -14.049 -18.096 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.534 -14.700 -16.985 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.957 -15.076 -16.321 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.413 -16.934 -17.676 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.661 -16.936 -17.719 1.00 20.33 H new ATOM 691 N LEU A 46 15.375 -12.853 -20.973 1.00 64.14 N ATOM 692 CA LEU A 46 16.483 -12.065 -21.505 1.00 65.52 C ATOM 693 C LEU A 46 16.525 -10.683 -20.860 1.00 32.13 C ATOM 694 O LEU A 46 15.657 -9.846 -21.108 1.00 65.14 O ATOM 695 CB LEU A 46 16.357 -11.929 -23.022 1.00 61.33 C ATOM 696 CG LEU A 46 17.407 -12.667 -23.853 1.00 32.01 C ATOM 697 CD1 LEU A 46 17.005 -14.121 -24.051 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.607 -11.979 -25.195 1.00 72.32 C ATOM 0 H LEU A 46 14.464 -12.619 -21.367 1.00 64.14 H new ATOM 0 HA LEU A 46 17.412 -12.585 -21.270 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.371 -12.288 -23.318 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.400 -10.870 -23.276 1.00 61.33 H new ATOM 0 HG LEU A 46 18.353 -12.643 -23.312 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.764 -14.631 -24.645 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.915 -14.609 -23.081 1.00 34.30 H new ATOM 0 HD13 LEU A 46 16.048 -14.166 -24.570 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.358 -12.519 -25.772 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.665 -11.970 -25.743 1.00 72.32 H new ATOM 0 HD23 LEU A 46 17.942 -10.954 -25.032 1.00 72.32 H new ATOM 710 N ILE A 47 17.540 -10.451 -20.035 1.00 14.12 N ATOM 711 CA ILE A 47 17.698 -9.170 -19.359 1.00 74.30 C ATOM 712 C ILE A 47 17.617 -8.012 -20.349 1.00 14.44 C ATOM 713 O ILE A 47 18.466 -7.874 -21.229 1.00 31.41 O ATOM 714 CB ILE A 47 19.038 -9.092 -18.603 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.157 -10.252 -17.613 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.163 -7.757 -17.883 1.00 33.01 C ATOM 717 CD1 ILE A 47 18.041 -10.291 -16.591 1.00 44.14 C ATOM 0 H ILE A 47 18.266 -11.134 -19.819 1.00 14.12 H new ATOM 0 HA ILE A 47 16.881 -9.090 -18.642 1.00 74.30 H new ATOM 0 HB ILE A 47 19.851 -9.170 -19.324 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.166 -11.191 -18.166 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.112 -10.179 -17.093 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.115 -7.717 -17.353 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.118 -6.946 -18.610 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.346 -7.651 -17.169 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.190 -11.139 -15.922 1.00 44.14 H new ATOM 0 HD12 ILE A 47 18.045 -9.367 -16.013 1.00 44.14 H new ATOM 0 HD13 ILE A 47 17.084 -10.395 -17.102 1.00 44.14 H new ATOM 729 N LYS A 48 16.591 -7.182 -20.196 1.00 15.21 N ATOM 730 CA LYS A 48 16.399 -6.032 -21.074 1.00 3.13 C ATOM 731 C LYS A 48 17.328 -4.887 -20.682 1.00 43.44 C ATOM 732 O LYS A 48 17.237 -4.353 -19.576 1.00 42.12 O ATOM 733 CB LYS A 48 14.944 -5.563 -21.023 1.00 15.03 C ATOM 734 CG LYS A 48 14.341 -5.304 -22.393 1.00 21.42 C ATOM 735 CD LYS A 48 12.830 -5.460 -22.375 1.00 24.00 C ATOM 736 CE LYS A 48 12.421 -6.910 -22.156 1.00 64.10 C ATOM 737 NZ LYS A 48 11.070 -7.195 -22.711 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.879 -7.283 -19.473 1.00 15.21 H new ATOM 0 HA LYS A 48 16.640 -6.339 -22.092 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.346 -6.315 -20.508 1.00 15.03 H new ATOM 0 HB3 LYS A 48 14.886 -4.650 -20.431 1.00 15.03 H new ATOM 0 HG2 LYS A 48 14.600 -4.297 -22.721 1.00 21.42 H new ATOM 0 HG3 LYS A 48 14.771 -5.996 -23.117 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.409 -4.839 -21.585 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.415 -5.102 -23.317 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.152 -7.568 -22.625 1.00 64.10 H new ATOM 0 HE3 LYS A 48 12.430 -7.133 -21.089 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 10.828 -8.192 -22.542 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 10.368 -6.585 -22.246 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 11.068 -7.007 -23.734 1.00 1.32 H new ATOM 751 N SER A 49 18.220 -4.516 -21.594 1.00 43.44 N ATOM 752 CA SER A 49 19.167 -3.435 -21.342 1.00 72.14 C ATOM 753 C SER A 49 18.850 -2.222 -22.212 1.00 60.13 C ATOM 754 O SER A 49 18.144 -2.330 -23.215 1.00 5.42 O ATOM 755 CB SER A 49 20.596 -3.909 -21.607 1.00 41.12 C ATOM 756 OG SER A 49 21.288 -4.151 -20.394 1.00 21.32 O ATOM 0 H SER A 49 18.307 -4.947 -22.514 1.00 43.44 H new ATOM 0 HA SER A 49 19.078 -3.143 -20.296 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.575 -4.820 -22.205 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.129 -3.158 -22.190 1.00 41.12 H new ATOM 0 HG SER A 49 22.199 -4.455 -20.592 1.00 21.32 H new ATOM 762 N HIS A 50 19.379 -1.067 -21.821 1.00 41.43 N ATOM 763 CA HIS A 50 19.155 0.167 -22.564 1.00 30.33 C ATOM 764 C HIS A 50 19.683 0.046 -23.991 1.00 5.15 C ATOM 765 O HIS A 50 19.237 0.757 -24.890 1.00 32.14 O ATOM 766 CB HIS A 50 19.830 1.343 -21.857 1.00 41.03 C ATOM 767 CG HIS A 50 18.988 1.959 -20.782 1.00 40.43 C ATOM 768 ND1 HIS A 50 18.927 1.463 -19.497 1.00 11.43 N ATOM 769 CD2 HIS A 50 18.169 3.036 -20.806 1.00 70.45 C ATOM 770 CE1 HIS A 50 18.107 2.208 -18.777 1.00 0.03 C ATOM 771 NE2 HIS A 50 17.634 3.170 -19.549 1.00 34.54 N ATOM 0 H HIS A 50 19.966 -0.960 -20.994 1.00 41.43 H new ATOM 0 HA HIS A 50 18.081 0.346 -22.606 1.00 30.33 H new ATOM 0 HB2 HIS A 50 20.770 1.003 -21.421 1.00 41.03 H new ATOM 0 HB3 HIS A 50 20.078 2.106 -22.595 1.00 41.03 H new ATOM 0 HD2 HIS A 50 17.973 3.672 -21.656 1.00 70.45 H new ATOM 0 HE1 HIS A 50 17.865 2.056 -17.735 1.00 0.03 H new ATOM 0 HE2 HIS A 50 16.978 3.895 -19.258 1.00 34.54 H new ATOM 779 N ASN A 51 20.637 -0.858 -24.189 1.00 15.24 N ATOM 780 CA ASN A 51 21.227 -1.072 -25.505 1.00 64.25 C ATOM 781 C ASN A 51 20.443 -2.121 -26.289 1.00 63.54 C ATOM 782 O ASN A 51 19.956 -1.854 -27.388 1.00 35.54 O ATOM 783 CB ASN A 51 22.687 -1.507 -25.368 1.00 63.32 C ATOM 784 CG ASN A 51 23.583 -0.381 -24.890 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.156 0.484 -24.125 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.832 -0.388 -25.340 1.00 71.10 N ATOM 0 H ASN A 51 21.018 -1.454 -23.454 1.00 15.24 H new ATOM 0 HA ASN A 51 21.186 -0.130 -26.052 1.00 64.25 H new ATOM 0 HB2 ASN A 51 22.751 -2.340 -24.668 1.00 63.32 H new ATOM 0 HB3 ASN A 51 23.047 -1.870 -26.331 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.482 0.344 -25.053 1.00 71.10 H new ATOM 0 HD22 ASN A 51 25.142 -1.125 -25.973 1.00 71.10 H new ATOM 793 N ASP A 52 20.325 -3.314 -25.716 1.00 2.33 N ATOM 794 CA ASP A 52 19.599 -4.403 -26.359 1.00 51.51 C ATOM 795 C ASP A 52 19.326 -5.532 -25.370 1.00 40.41 C ATOM 796 O ASP A 52 19.570 -5.394 -24.171 1.00 50.31 O ATOM 797 CB ASP A 52 20.390 -4.935 -27.555 1.00 20.42 C ATOM 798 CG ASP A 52 21.723 -5.532 -27.148 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.749 -6.722 -26.771 1.00 62.02 O1- ATOM 800 OD2 ASP A 52 22.740 -4.809 -27.204 1.00 62.31 O ATOM 0 H ASP A 52 20.723 -3.551 -24.807 1.00 2.33 H new ATOM 0 HA ASP A 52 18.644 -4.013 -26.710 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.799 -5.692 -28.071 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.559 -4.125 -28.264 1.00 20.42 H new ATOM 805 N PHE A 53 18.818 -6.649 -25.881 1.00 23.22 N ATOM 806 CA PHE A 53 18.510 -7.802 -25.043 1.00 74.32 C ATOM 807 C PHE A 53 19.739 -8.688 -24.863 1.00 74.52 C ATOM 808 O PHE A 53 20.569 -8.807 -25.764 1.00 63.11 O ATOM 809 CB PHE A 53 17.367 -8.613 -25.656 1.00 20.02 C ATOM 810 CG PHE A 53 16.145 -7.795 -25.959 1.00 51.11 C ATOM 811 CD1 PHE A 53 16.063 -7.055 -27.127 1.00 71.15 C ATOM 812 CD2 PHE A 53 15.078 -7.766 -25.075 1.00 41.23 C ATOM 813 CE1 PHE A 53 14.938 -6.300 -27.408 1.00 34.33 C ATOM 814 CE2 PHE A 53 13.952 -7.014 -25.351 1.00 25.13 C ATOM 815 CZ PHE A 53 13.883 -6.279 -26.519 1.00 23.43 C ATOM 0 H PHE A 53 18.611 -6.780 -26.871 1.00 23.22 H new ATOM 0 HA PHE A 53 18.202 -7.436 -24.063 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.718 -9.082 -26.576 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.095 -9.417 -24.972 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.886 -7.067 -27.826 1.00 71.15 H new ATOM 0 HD2 PHE A 53 15.127 -8.338 -24.160 1.00 41.23 H new ATOM 0 HE1 PHE A 53 14.886 -5.728 -28.322 1.00 34.33 H new ATOM 0 HE2 PHE A 53 13.127 -7.001 -24.654 1.00 25.13 H new ATOM 0 HZ PHE A 53 13.005 -5.689 -26.736 1.00 23.43 H new ATOM 825 N VAL A 54 19.849 -9.307 -23.692 1.00 60.01 N ATOM 826 CA VAL A 54 20.975 -10.182 -23.392 1.00 21.43 C ATOM 827 C VAL A 54 20.572 -11.283 -22.417 1.00 43.31 C ATOM 828 O VAL A 54 19.779 -11.057 -21.504 1.00 73.14 O ATOM 829 CB VAL A 54 22.157 -9.393 -22.798 1.00 12.13 C ATOM 830 CG1 VAL A 54 23.306 -10.328 -22.454 1.00 42.10 C ATOM 831 CG2 VAL A 54 22.612 -8.308 -23.764 1.00 4.03 C ATOM 0 H VAL A 54 19.171 -9.218 -22.935 1.00 60.01 H new ATOM 0 HA VAL A 54 21.285 -10.632 -24.335 1.00 21.43 H new ATOM 0 HB VAL A 54 21.824 -8.913 -21.878 1.00 12.13 H new ATOM 0 HG11 VAL A 54 24.131 -9.752 -22.036 1.00 42.10 H new ATOM 0 HG12 VAL A 54 22.970 -11.064 -21.723 1.00 42.10 H new ATOM 0 HG13 VAL A 54 23.641 -10.840 -23.356 1.00 42.10 H new ATOM 0 HG21 VAL A 54 23.448 -7.760 -23.329 1.00 4.03 H new ATOM 0 HG22 VAL A 54 22.927 -8.765 -24.702 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.787 -7.621 -23.954 1.00 4.03 H new ATOM 841 N ALA A 55 21.124 -12.474 -22.618 1.00 4.51 N ATOM 842 CA ALA A 55 20.825 -13.610 -21.755 1.00 54.01 C ATOM 843 C ALA A 55 22.066 -14.063 -20.992 1.00 32.03 C ATOM 844 O ALA A 55 23.181 -13.998 -21.508 1.00 42.01 O ATOM 845 CB ALA A 55 20.258 -14.760 -22.575 1.00 40.42 C ATOM 0 H ALA A 55 21.781 -12.678 -23.371 1.00 4.51 H new ATOM 0 HA ALA A 55 20.078 -13.294 -21.026 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.039 -15.602 -21.918 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.342 -14.437 -23.069 1.00 40.42 H new ATOM 0 HB3 ALA A 55 20.987 -15.065 -23.326 1.00 40.42 H new ATOM 851 N ILE A 56 21.863 -14.520 -19.760 1.00 34.40 N ATOM 852 CA ILE A 56 22.965 -14.983 -18.927 1.00 21.40 C ATOM 853 C ILE A 56 22.588 -16.251 -18.171 1.00 72.24 C ATOM 854 O ILE A 56 21.614 -16.270 -17.416 1.00 72.43 O ATOM 855 CB ILE A 56 23.398 -13.904 -17.916 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.768 -12.610 -18.644 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.569 -14.401 -17.081 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.956 -12.754 -19.568 1.00 74.44 C ATOM 0 H ILE A 56 20.946 -14.579 -19.318 1.00 34.40 H new ATOM 0 HA ILE A 56 23.798 -15.197 -19.596 1.00 21.40 H new ATOM 0 HB ILE A 56 22.562 -13.696 -17.248 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.909 -12.269 -19.221 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.983 -11.837 -17.906 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.864 -13.628 -16.371 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.274 -15.299 -16.538 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.410 -14.633 -17.735 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.160 -11.798 -20.050 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.828 -13.065 -18.993 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.737 -13.504 -20.328 1.00 74.44 H new ATOM 870 N LEU A 57 23.363 -17.309 -18.376 1.00 23.15 N ATOM 871 CA LEU A 57 23.112 -18.583 -17.711 1.00 22.42 C ATOM 872 C LEU A 57 24.399 -19.390 -17.574 1.00 52.54 C ATOM 873 O LEU A 57 25.185 -19.489 -18.518 1.00 60.35 O ATOM 874 CB LEU A 57 22.071 -19.390 -18.489 1.00 74.01 C ATOM 875 CG LEU A 57 22.024 -19.146 -19.999 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.536 -20.390 -20.725 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.132 -17.955 -20.319 1.00 20.50 C ATOM 0 H LEU A 57 24.171 -17.311 -18.998 1.00 23.15 H new ATOM 0 HA LEU A 57 22.729 -18.374 -16.712 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.260 -20.450 -18.318 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.087 -19.171 -18.075 1.00 74.01 H new ATOM 0 HG LEU A 57 23.033 -18.921 -20.344 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.509 -20.198 -21.798 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.214 -21.219 -20.522 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.535 -20.645 -20.377 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.110 -17.796 -21.397 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.121 -18.151 -19.961 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.525 -17.064 -19.829 1.00 20.50 H new ATOM 889 N ASP A 58 24.609 -19.965 -16.395 1.00 34.22 N ATOM 890 CA ASP A 58 25.799 -20.766 -16.136 1.00 0.11 C ATOM 891 C ASP A 58 25.715 -22.112 -16.850 1.00 63.43 C ATOM 892 O ASP A 58 24.977 -23.005 -16.430 1.00 41.24 O ATOM 893 CB ASP A 58 25.977 -20.983 -14.633 1.00 24.31 C ATOM 894 CG ASP A 58 24.747 -21.589 -13.986 1.00 42.33 C ATOM 895 OD1 ASP A 58 23.806 -20.830 -13.670 1.00 2.41 O ATOM 896 OD2 ASP A 58 24.725 -22.824 -13.796 1.00 22.34 O1- ATOM 0 H ASP A 58 23.970 -19.891 -15.603 1.00 34.22 H new ATOM 0 HA ASP A 58 26.662 -20.224 -16.522 1.00 0.11 H new ATOM 0 HB2 ASP A 58 26.833 -21.636 -14.462 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.203 -20.030 -14.155 1.00 24.31 H new ATOM 901 N LEU A 59 26.473 -22.250 -17.932 1.00 33.22 N ATOM 902 CA LEU A 59 26.484 -23.487 -18.705 1.00 60.20 C ATOM 903 C LEU A 59 27.839 -24.180 -18.606 1.00 1.03 C ATOM 904 O LEU A 59 28.874 -23.545 -18.404 1.00 70.11 O ATOM 905 CB LEU A 59 26.152 -23.198 -20.171 1.00 32.04 C ATOM 906 CG LEU A 59 24.970 -22.259 -20.418 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.029 -21.688 -21.827 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.654 -22.987 -20.191 1.00 1.32 C ATOM 0 H LEU A 59 27.088 -21.521 -18.294 1.00 33.22 H new ATOM 0 HA LEU A 59 25.726 -24.152 -18.291 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.035 -22.771 -20.646 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.949 -24.145 -20.670 1.00 32.04 H new ATOM 0 HG LEU A 59 25.032 -21.433 -19.709 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.181 -21.022 -21.986 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.957 -21.130 -21.955 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.992 -22.502 -22.551 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.824 -22.303 -20.371 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.583 -23.832 -20.875 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.610 -23.348 -19.163 1.00 1.32 H new ATOM 920 N PRO A 60 27.834 -25.513 -18.754 1.00 53.42 N ATOM 921 CA PRO A 60 29.057 -26.320 -18.688 1.00 72.32 C ATOM 922 C PRO A 60 29.968 -26.092 -19.889 1.00 43.23 C ATOM 923 O PRO A 60 29.502 -25.760 -20.978 1.00 43.11 O ATOM 924 CB PRO A 60 28.531 -27.759 -18.681 1.00 45.22 C ATOM 925 CG PRO A 60 27.204 -27.680 -19.356 1.00 34.34 C ATOM 926 CD PRO A 60 26.637 -26.334 -18.998 1.00 31.23 C ATOM 0 HA PRO A 60 29.665 -26.069 -17.819 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.206 -28.430 -19.212 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.436 -28.141 -17.665 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.309 -27.785 -20.436 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.547 -28.482 -19.020 1.00 34.34 H new ATOM 0 HD2 PRO A 60 26.028 -25.927 -19.805 1.00 31.23 H new ATOM 0 HD3 PRO A 60 26.000 -26.388 -18.115 1.00 31.23 H new ATOM 934 N GLU A 61 31.269 -26.274 -19.682 1.00 34.34 N ATOM 935 CA GLU A 61 32.244 -26.086 -20.749 1.00 51.40 C ATOM 936 C GLU A 61 32.015 -27.087 -21.878 1.00 71.00 C ATOM 937 O GLU A 61 32.104 -28.298 -21.678 1.00 52.22 O ATOM 938 CB GLU A 61 33.666 -26.236 -20.202 1.00 14.52 C ATOM 939 CG GLU A 61 34.740 -26.186 -21.276 1.00 12.24 C ATOM 940 CD GLU A 61 35.107 -27.561 -21.798 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.263 -28.487 -20.975 1.00 14.15 O1- ATOM 942 OE2 GLU A 61 35.238 -27.711 -23.031 1.00 62.21 O ATOM 0 H GLU A 61 31.671 -26.551 -18.786 1.00 34.34 H new ATOM 0 HA GLU A 61 32.119 -25.079 -21.148 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.853 -25.444 -19.476 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.743 -27.183 -19.667 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.392 -25.568 -22.104 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.631 -25.705 -20.872 1.00 12.24 H new ATOM 949 N GLY A 62 31.716 -26.570 -23.067 1.00 75.14 N ATOM 950 CA GLY A 62 31.477 -27.431 -24.210 1.00 3.44 C ATOM 951 C GLY A 62 30.733 -26.721 -25.324 1.00 3.40 C ATOM 952 O GLY A 62 31.039 -25.576 -25.652 1.00 30.13 O ATOM 0 H GLY A 62 31.635 -25.571 -23.258 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.430 -27.798 -24.590 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.904 -28.302 -23.892 1.00 3.44 H new ATOM 956 N GLU A 63 29.753 -27.404 -25.908 1.00 44.04 N ATOM 957 CA GLU A 63 28.966 -26.833 -26.993 1.00 31.31 C ATOM 958 C GLU A 63 27.481 -27.132 -26.805 1.00 34.40 C ATOM 959 O GLU A 63 27.136 -28.245 -26.414 1.00 55.14 O ATOM 960 CB GLU A 63 29.440 -27.380 -28.341 1.00 71.45 C ATOM 961 CG GLU A 63 28.560 -26.968 -29.509 1.00 41.01 C ATOM 962 CD GLU A 63 28.982 -27.614 -30.814 1.00 64.35 C ATOM 963 OE1 GLU A 63 28.933 -28.859 -30.902 1.00 13.32 O ATOM 964 OE2 GLU A 63 29.362 -26.877 -31.748 1.00 63.41 O1- ATOM 0 H GLU A 63 29.486 -28.353 -25.647 1.00 44.04 H new ATOM 0 HA GLU A 63 29.106 -25.752 -26.978 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.458 -27.036 -28.525 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.475 -28.468 -28.290 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.526 -27.237 -29.293 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.591 -25.884 -29.618 1.00 41.01 H new ATOM 971 N HIS A 64 26.646 -26.141 -27.082 1.00 11.42 N ATOM 972 CA HIS A 64 25.210 -26.310 -26.938 1.00 43.11 C ATOM 973 C HIS A 64 24.489 -25.527 -28.037 1.00 20.11 C ATOM 974 O HIS A 64 25.067 -24.689 -28.727 1.00 22.41 O ATOM 975 CB HIS A 64 24.755 -25.916 -25.533 1.00 0.52 C ATOM 976 CG HIS A 64 25.887 -25.726 -24.551 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.216 -26.671 -23.594 1.00 23.24 N ATOM 978 CD2 HIS A 64 26.761 -24.692 -24.389 1.00 51.01 C ATOM 979 CE1 HIS A 64 27.244 -26.215 -22.893 1.00 5.41 C ATOM 980 NE2 HIS A 64 27.580 -24.989 -23.386 1.00 33.03 N ATOM 0 H HIS A 64 26.937 -25.218 -27.405 1.00 11.42 H new ATOM 0 HA HIS A 64 24.950 -27.362 -27.059 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.182 -24.991 -25.594 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.082 -26.684 -25.152 1.00 0.52 H new ATOM 0 HD1 HIS A 64 25.747 -27.566 -23.453 1.00 23.24 H new ATOM 0 HD2 HIS A 64 26.784 -23.786 -24.976 1.00 51.01 H new ATOM 0 HE1 HIS A 64 27.730 -26.725 -22.075 1.00 5.41 H new ATOM 988 N GLN A 65 23.201 -25.821 -28.183 1.00 1.42 N ATOM 989 CA GLN A 65 22.375 -25.160 -29.188 1.00 75.43 C ATOM 990 C GLN A 65 21.168 -24.487 -28.543 1.00 40.13 C ATOM 991 O GLN A 65 20.396 -25.127 -27.829 1.00 52.02 O ATOM 992 CB GLN A 65 21.911 -26.169 -30.240 1.00 73.02 C ATOM 993 CG GLN A 65 22.852 -26.285 -31.428 1.00 71.31 C ATOM 994 CD GLN A 65 23.119 -27.724 -31.822 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.417 -28.291 -32.660 1.00 5.51 O ATOM 996 NE2 GLN A 65 24.137 -28.325 -31.217 1.00 53.03 N ATOM 0 H GLN A 65 22.707 -26.512 -27.619 1.00 1.42 H new ATOM 0 HA GLN A 65 22.979 -24.393 -29.672 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.808 -27.148 -29.772 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.922 -25.881 -30.597 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.425 -25.753 -32.278 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.796 -25.797 -31.188 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.693 -27.818 -30.529 1.00 53.03 H new ATOM 0 HE22 GLN A 65 24.363 -29.294 -31.441 1.00 53.03 H new ATOM 1005 N TYR A 66 21.012 -23.194 -28.801 1.00 4.15 N ATOM 1006 CA TYR A 66 19.900 -22.432 -28.243 1.00 72.34 C ATOM 1007 C TYR A 66 19.038 -21.837 -29.352 1.00 74.34 C ATOM 1008 O TYR A 66 19.302 -22.039 -30.538 1.00 1.32 O ATOM 1009 CB TYR A 66 20.422 -21.318 -27.334 1.00 10.24 C ATOM 1010 CG TYR A 66 21.215 -20.260 -28.067 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.540 -20.478 -28.422 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.639 -19.042 -28.405 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.269 -19.514 -29.091 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.358 -18.072 -29.075 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.674 -18.313 -29.416 1.00 22.23 C ATOM 1016 OH TYR A 66 23.396 -17.349 -30.084 1.00 12.33 O ATOM 0 H TYR A 66 21.641 -22.651 -29.393 1.00 4.15 H new ATOM 0 HA TYR A 66 19.285 -23.113 -27.654 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.578 -20.845 -26.832 1.00 10.24 H new ATOM 0 HB3 TYR A 66 21.049 -21.757 -26.558 1.00 10.24 H new ATOM 0 HD1 TYR A 66 23.009 -21.418 -28.171 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.610 -18.850 -28.139 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.299 -19.700 -29.358 1.00 2.40 H new ATOM 0 HE2 TYR A 66 20.894 -17.131 -29.331 1.00 71.43 H new ATOM 0 HH TYR A 66 22.986 -16.471 -29.935 1.00 12.33 H new ATOM 1026 N LYS A 67 18.005 -21.101 -28.958 1.00 53.20 N ATOM 1027 CA LYS A 67 17.102 -20.472 -29.916 1.00 62.12 C ATOM 1028 C LYS A 67 16.427 -19.248 -29.306 1.00 21.43 C ATOM 1029 O LYS A 67 16.092 -19.238 -28.120 1.00 63.05 O ATOM 1030 CB LYS A 67 16.043 -21.473 -30.381 1.00 52.15 C ATOM 1031 CG LYS A 67 15.164 -20.950 -31.504 1.00 4.31 C ATOM 1032 CD LYS A 67 15.856 -21.063 -32.852 1.00 75.43 C ATOM 1033 CE LYS A 67 15.025 -20.432 -33.959 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.858 -21.280 -34.329 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.771 -20.925 -27.981 1.00 53.20 H new ATOM 0 HA LYS A 67 17.691 -20.149 -30.775 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.538 -22.385 -30.713 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.413 -21.743 -29.533 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.229 -21.509 -31.526 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.908 -19.908 -31.312 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.830 -20.576 -32.804 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.035 -22.113 -33.083 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.674 -19.452 -33.636 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.651 -20.273 -34.837 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.080 -20.675 -34.660 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.133 -21.937 -35.087 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.545 -21.822 -33.498 1.00 33.33 H new ATOM 1048 N PHE A 68 16.230 -18.218 -30.122 1.00 0.13 N ATOM 1049 CA PHE A 68 15.594 -16.989 -29.663 1.00 34.41 C ATOM 1050 C PHE A 68 14.084 -17.042 -29.882 1.00 74.51 C ATOM 1051 O PHE A 68 13.607 -17.645 -30.843 1.00 43.04 O ATOM 1052 CB PHE A 68 16.185 -15.781 -30.392 1.00 21.54 C ATOM 1053 CG PHE A 68 17.547 -15.388 -29.895 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.805 -15.302 -28.536 1.00 24.44 C ATOM 1055 CD2 PHE A 68 18.568 -15.106 -30.786 1.00 45.22 C ATOM 1056 CE1 PHE A 68 19.058 -14.940 -28.078 1.00 64.40 C ATOM 1057 CE2 PHE A 68 19.823 -14.744 -30.333 1.00 21.32 C ATOM 1058 CZ PHE A 68 20.068 -14.662 -28.977 1.00 60.24 C ATOM 0 H PHE A 68 16.502 -18.210 -31.105 1.00 0.13 H new ATOM 0 HA PHE A 68 15.784 -16.888 -28.594 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.246 -16.004 -31.457 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.508 -14.934 -30.282 1.00 21.54 H new ATOM 0 HD1 PHE A 68 17.019 -15.520 -27.828 1.00 24.44 H new ATOM 0 HD2 PHE A 68 18.382 -15.170 -31.848 1.00 45.22 H new ATOM 0 HE1 PHE A 68 19.247 -14.875 -27.017 1.00 64.40 H new ATOM 0 HE2 PHE A 68 20.611 -14.526 -31.039 1.00 21.32 H new ATOM 0 HZ PHE A 68 21.048 -14.381 -28.620 1.00 60.24 H new ATOM 1068 N PHE A 69 13.339 -16.408 -28.983 1.00 64.40 N ATOM 1069 CA PHE A 69 11.885 -16.384 -29.077 1.00 63.41 C ATOM 1070 C PHE A 69 11.353 -14.963 -28.919 1.00 34.32 C ATOM 1071 O PHE A 69 11.156 -14.481 -27.802 1.00 62.44 O ATOM 1072 CB PHE A 69 11.268 -17.292 -28.012 1.00 5.13 C ATOM 1073 CG PHE A 69 9.771 -17.383 -28.094 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.165 -18.262 -28.975 1.00 14.24 C ATOM 1075 CD2 PHE A 69 8.970 -16.588 -27.289 1.00 42.11 C ATOM 1076 CE1 PHE A 69 7.787 -18.349 -29.053 1.00 13.20 C ATOM 1077 CE2 PHE A 69 7.593 -16.670 -27.362 1.00 52.12 C ATOM 1078 CZ PHE A 69 7.001 -17.551 -28.247 1.00 3.22 C ATOM 0 H PHE A 69 13.718 -15.904 -28.181 1.00 64.40 H new ATOM 0 HA PHE A 69 11.604 -16.751 -30.064 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.690 -18.292 -28.110 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.548 -16.923 -27.025 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.776 -18.887 -29.609 1.00 14.24 H new ATOM 0 HD2 PHE A 69 9.428 -15.897 -26.597 1.00 42.11 H new ATOM 0 HE1 PHE A 69 7.327 -19.040 -29.744 1.00 13.20 H new ATOM 0 HE2 PHE A 69 6.980 -16.046 -26.728 1.00 52.12 H new ATOM 0 HZ PHE A 69 5.925 -17.615 -28.308 1.00 3.22 H new ATOM 1088 N VAL A 70 11.123 -14.293 -30.044 1.00 51.23 N ATOM 1089 CA VAL A 70 10.614 -12.927 -30.031 1.00 53.12 C ATOM 1090 C VAL A 70 9.348 -12.804 -30.872 1.00 13.23 C ATOM 1091 O VAL A 70 9.137 -13.574 -31.810 1.00 23.10 O ATOM 1092 CB VAL A 70 11.665 -11.932 -30.556 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.225 -10.501 -30.288 1.00 23.12 C ATOM 1094 CG2 VAL A 70 13.021 -12.209 -29.927 1.00 41.35 C ATOM 0 H VAL A 70 11.281 -14.675 -30.977 1.00 51.23 H new ATOM 0 HA VAL A 70 10.382 -12.685 -28.994 1.00 53.12 H new ATOM 0 HB VAL A 70 11.758 -12.062 -31.634 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.980 -9.811 -30.666 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.277 -10.312 -30.791 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.103 -10.353 -29.215 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.752 -11.496 -30.309 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.947 -12.108 -28.844 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.337 -13.222 -30.176 1.00 41.35 H new ATOM 1104 N ASP A 71 8.510 -11.832 -30.531 1.00 3.15 N ATOM 1105 CA ASP A 71 7.265 -11.607 -31.256 1.00 54.03 C ATOM 1106 C ASP A 71 6.327 -12.802 -31.112 1.00 20.14 C ATOM 1107 O ASP A 71 5.416 -12.991 -31.917 1.00 62.44 O ATOM 1108 CB ASP A 71 7.552 -11.344 -32.735 1.00 64.34 C ATOM 1109 CG ASP A 71 6.426 -10.591 -33.418 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.686 -9.869 -32.719 1.00 63.53 O ATOM 1111 OD2 ASP A 71 6.287 -10.725 -34.651 1.00 51.33 O1- ATOM 0 H ASP A 71 8.670 -11.187 -29.757 1.00 3.15 H new ATOM 0 HA ASP A 71 6.777 -10.732 -30.827 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.476 -10.773 -32.827 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.712 -12.294 -33.246 1.00 64.34 H new ATOM 1116 N GLY A 72 6.559 -13.608 -30.080 1.00 2.30 N ATOM 1117 CA GLY A 72 5.729 -14.775 -29.849 1.00 30.24 C ATOM 1118 C GLY A 72 6.049 -15.912 -30.800 1.00 72.25 C ATOM 1119 O GLY A 72 5.179 -16.716 -31.132 1.00 21.11 O ATOM 0 H GLY A 72 7.307 -13.473 -29.400 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.864 -15.115 -28.822 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.680 -14.498 -29.958 1.00 30.24 H new ATOM 1123 N GLN A 73 7.302 -15.978 -31.240 1.00 45.23 N ATOM 1124 CA GLN A 73 7.734 -17.023 -32.160 1.00 20.11 C ATOM 1125 C GLN A 73 9.240 -17.244 -32.064 1.00 25.04 C ATOM 1126 O GLN A 73 9.980 -16.361 -31.630 1.00 32.35 O ATOM 1127 CB GLN A 73 7.350 -16.659 -33.595 1.00 33.33 C ATOM 1128 CG GLN A 73 8.275 -15.632 -34.230 1.00 51.12 C ATOM 1129 CD GLN A 73 7.523 -14.577 -35.016 1.00 31.44 C ATOM 1130 OE1 GLN A 73 6.349 -14.750 -35.344 1.00 52.31 O ATOM 1131 NE2 GLN A 73 8.196 -13.475 -35.322 1.00 32.52 N ATOM 0 H GLN A 73 8.035 -15.320 -30.974 1.00 45.23 H new ATOM 0 HA GLN A 73 7.231 -17.949 -31.881 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.352 -17.563 -34.204 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.331 -16.272 -33.603 1.00 33.33 H new ATOM 0 HG2 GLN A 73 8.864 -15.148 -33.451 1.00 51.12 H new ATOM 0 HG3 GLN A 73 8.977 -16.140 -34.891 1.00 51.12 H new ATOM 0 HE21 GLN A 73 9.168 -13.373 -35.030 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.741 -12.730 -35.849 1.00 32.52 H new ATOM 1140 N TRP A 74 9.685 -18.428 -32.470 1.00 23.22 N ATOM 1141 CA TRP A 74 11.104 -18.764 -32.429 1.00 12.20 C ATOM 1142 C TRP A 74 11.832 -18.205 -33.646 1.00 60.11 C ATOM 1143 O TRP A 74 11.584 -18.625 -34.776 1.00 24.22 O ATOM 1144 CB TRP A 74 11.287 -20.282 -32.362 1.00 50.12 C ATOM 1145 CG TRP A 74 10.811 -20.882 -31.074 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.644 -21.562 -30.869 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.488 -20.853 -29.814 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.556 -21.959 -29.556 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.675 -21.537 -28.889 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.704 -20.320 -29.377 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 11.039 -21.697 -27.554 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 13.063 -20.479 -28.052 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.234 -21.164 -27.154 1.00 52.42 C ATOM 0 H TRP A 74 9.085 -19.170 -32.831 1.00 23.22 H new ATOM 0 HA TRP A 74 11.533 -18.313 -31.534 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.748 -20.742 -33.190 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.342 -20.520 -32.497 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.900 -21.759 -31.627 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.783 -22.483 -29.145 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.351 -19.793 -30.063 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.401 -22.223 -26.859 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.999 -20.068 -27.703 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.544 -21.274 -26.125 1.00 52.42 H new ATOM 1164 N VAL A 75 12.731 -17.255 -33.408 1.00 42.22 N ATOM 1165 CA VAL A 75 13.496 -16.640 -34.486 1.00 53.15 C ATOM 1166 C VAL A 75 14.992 -16.862 -34.294 1.00 42.43 C ATOM 1167 O VAL A 75 15.433 -17.313 -33.238 1.00 15.11 O ATOM 1168 CB VAL A 75 13.220 -15.126 -34.576 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.739 -14.866 -34.809 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.703 -14.422 -33.317 1.00 33.52 C ATOM 0 H VAL A 75 12.947 -16.895 -32.479 1.00 42.22 H new ATOM 0 HA VAL A 75 13.177 -17.116 -35.413 1.00 53.15 H new ATOM 0 HB VAL A 75 13.772 -14.722 -35.425 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.563 -13.792 -34.870 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.429 -15.338 -35.741 1.00 25.31 H new ATOM 0 HG13 VAL A 75 11.162 -15.282 -33.983 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.501 -13.354 -33.397 1.00 33.52 H new ATOM 0 HG22 VAL A 75 13.180 -14.827 -32.450 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.775 -14.580 -33.200 1.00 33.52 H new ATOM 1180 N HIS A 76 15.769 -16.541 -35.324 1.00 54.12 N ATOM 1181 CA HIS A 76 17.218 -16.705 -35.270 1.00 10.02 C ATOM 1182 C HIS A 76 17.913 -15.698 -36.180 1.00 43.22 C ATOM 1183 O HIS A 76 17.342 -15.247 -37.173 1.00 33.44 O ATOM 1184 CB HIS A 76 17.606 -18.128 -35.672 1.00 62.13 C ATOM 1185 CG HIS A 76 17.456 -18.398 -37.137 1.00 63.23 C ATOM 1186 ND1 HIS A 76 16.445 -19.177 -37.659 1.00 33.14 N ATOM 1187 CD2 HIS A 76 18.194 -17.986 -38.195 1.00 1.42 C ATOM 1188 CE1 HIS A 76 16.568 -19.234 -38.972 1.00 52.22 C ATOM 1189 NE2 HIS A 76 17.622 -18.519 -39.324 1.00 14.42 N ATOM 0 H HIS A 76 15.420 -16.166 -36.206 1.00 54.12 H new ATOM 0 HA HIS A 76 17.542 -16.524 -34.245 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.641 -18.309 -35.382 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.990 -18.835 -35.116 1.00 62.13 H new ATOM 0 HD2 HIS A 76 19.070 -17.355 -38.158 1.00 1.42 H new ATOM 0 HE1 HIS A 76 15.918 -19.773 -39.644 1.00 52.22 H new ATOM 0 HE2 HIS A 76 17.956 -18.385 -40.278 1.00 14.42 H new ATOM 1197 N ASP A 77 19.147 -15.348 -35.834 1.00 61.11 N ATOM 1198 CA ASP A 77 19.920 -14.394 -36.620 1.00 41.41 C ATOM 1199 C ASP A 77 20.811 -15.115 -37.627 1.00 24.02 C ATOM 1200 O ASP A 77 21.486 -16.093 -37.306 1.00 23.04 O ATOM 1201 CB ASP A 77 20.773 -13.517 -35.702 1.00 44.44 C ATOM 1202 CG ASP A 77 19.979 -12.382 -35.084 1.00 1.12 C ATOM 1203 OD1 ASP A 77 19.092 -11.834 -35.772 1.00 34.33 O ATOM 1204 OD2 ASP A 77 20.245 -12.043 -33.911 1.00 10.11 O1- ATOM 0 H ASP A 77 19.633 -15.711 -35.014 1.00 61.11 H new ATOM 0 HA ASP A 77 19.221 -13.761 -37.168 1.00 41.41 H new ATOM 0 HB2 ASP A 77 21.199 -14.132 -34.909 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.608 -13.106 -36.270 1.00 44.44 H new ATOM 1209 N PRO A 78 20.814 -14.623 -38.874 1.00 15.43 N ATOM 1210 CA PRO A 78 21.616 -15.205 -39.953 1.00 4.43 C ATOM 1211 C PRO A 78 23.111 -14.974 -39.755 1.00 61.31 C ATOM 1212 O PRO A 78 23.939 -15.603 -40.412 1.00 23.50 O ATOM 1213 CB PRO A 78 21.122 -14.468 -41.201 1.00 61.03 C ATOM 1214 CG PRO A 78 20.597 -13.170 -40.691 1.00 70.11 C ATOM 1215 CD PRO A 78 20.033 -13.459 -39.328 1.00 31.15 C ATOM 0 HA PRO A 78 21.501 -16.288 -40.007 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.930 -14.315 -41.916 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.345 -15.035 -41.714 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.389 -12.423 -40.635 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.830 -12.772 -41.355 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.151 -12.609 -38.656 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.967 -13.683 -39.374 1.00 31.15 H new ATOM 1223 N SER A 79 23.448 -14.066 -38.844 1.00 34.01 N ATOM 1224 CA SER A 79 24.843 -13.750 -38.560 1.00 21.01 C ATOM 1225 C SER A 79 25.457 -14.787 -37.626 1.00 1.21 C ATOM 1226 O SER A 79 26.666 -15.015 -37.644 1.00 44.53 O ATOM 1227 CB SER A 79 24.955 -12.356 -37.939 1.00 32.35 C ATOM 1228 OG SER A 79 25.096 -11.361 -38.939 1.00 23.51 O ATOM 0 H SER A 79 22.774 -13.537 -38.290 1.00 34.01 H new ATOM 0 HA SER A 79 25.392 -13.766 -39.501 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.069 -12.150 -37.339 1.00 32.35 H new ATOM 0 HB3 SER A 79 25.811 -12.323 -37.265 1.00 32.35 H new ATOM 0 HG SER A 79 25.164 -10.480 -38.516 1.00 23.51 H new ATOM 1234 N GLU A 80 24.614 -15.412 -36.810 1.00 41.40 N ATOM 1235 CA GLU A 80 25.073 -16.424 -35.867 1.00 72.34 C ATOM 1236 C GLU A 80 25.088 -17.806 -36.516 1.00 21.05 C ATOM 1237 O GLU A 80 24.437 -18.048 -37.532 1.00 74.53 O ATOM 1238 CB GLU A 80 24.178 -16.442 -34.626 1.00 2.30 C ATOM 1239 CG GLU A 80 24.634 -15.490 -33.533 1.00 10.13 C ATOM 1240 CD GLU A 80 23.702 -15.485 -32.337 1.00 3.42 C ATOM 1241 OE1 GLU A 80 22.592 -16.046 -32.446 1.00 21.22 O1- ATOM 1242 OE2 GLU A 80 24.083 -14.919 -31.290 1.00 15.10 O ATOM 0 H GLU A 80 23.610 -15.235 -36.783 1.00 41.40 H new ATOM 0 HA GLU A 80 26.090 -16.170 -35.569 1.00 72.34 H new ATOM 0 HB2 GLU A 80 23.160 -16.185 -34.919 1.00 2.30 H new ATOM 0 HB3 GLU A 80 24.148 -17.455 -34.225 1.00 2.30 H new ATOM 0 HG2 GLU A 80 25.636 -15.770 -33.207 1.00 10.13 H new ATOM 0 HG3 GLU A 80 24.702 -14.481 -33.940 1.00 10.13 H new ATOM 1249 N PRO A 81 25.849 -18.732 -35.915 1.00 13.13 N ATOM 1250 CA PRO A 81 25.968 -20.105 -36.416 1.00 34.44 C ATOM 1251 C PRO A 81 24.681 -20.902 -36.235 1.00 52.34 C ATOM 1252 O PRO A 81 24.500 -21.588 -35.229 1.00 32.21 O ATOM 1253 CB PRO A 81 27.090 -20.699 -35.562 1.00 71.33 C ATOM 1254 CG PRO A 81 27.070 -19.901 -34.303 1.00 70.53 C ATOM 1255 CD PRO A 81 26.651 -18.513 -34.700 1.00 61.31 C ATOM 0 HA PRO A 81 26.170 -20.132 -37.487 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.919 -21.757 -35.363 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.054 -20.621 -36.065 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.373 -20.328 -33.581 1.00 70.53 H new ATOM 0 HG3 PRO A 81 28.052 -19.892 -33.831 1.00 70.53 H new ATOM 0 HD2 PRO A 81 26.068 -18.030 -33.916 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.512 -17.874 -34.897 1.00 61.31 H new ATOM 1263 N VAL A 82 23.788 -20.808 -37.215 1.00 53.33 N ATOM 1264 CA VAL A 82 22.517 -21.521 -37.164 1.00 75.02 C ATOM 1265 C VAL A 82 22.606 -22.854 -37.900 1.00 72.11 C ATOM 1266 O VAL A 82 23.339 -22.987 -38.879 1.00 30.20 O ATOM 1267 CB VAL A 82 21.378 -20.684 -37.775 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.150 -19.418 -36.964 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.684 -20.349 -39.227 1.00 55.33 C ATOM 0 H VAL A 82 23.921 -20.244 -38.055 1.00 53.33 H new ATOM 0 HA VAL A 82 22.298 -21.703 -36.112 1.00 75.02 H new ATOM 0 HB VAL A 82 20.462 -21.274 -37.747 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.341 -18.840 -37.411 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.883 -19.684 -35.941 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.062 -18.821 -36.957 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.869 -19.757 -39.643 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.611 -19.778 -39.281 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.792 -21.271 -39.798 1.00 55.33 H new ATOM 1279 N VAL A 83 21.853 -23.839 -37.419 1.00 45.51 N ATOM 1280 CA VAL A 83 21.845 -25.162 -38.032 1.00 23.24 C ATOM 1281 C VAL A 83 20.452 -25.780 -37.987 1.00 60.32 C ATOM 1282 O VAL A 83 19.731 -25.643 -36.997 1.00 51.55 O ATOM 1283 CB VAL A 83 22.838 -26.111 -37.334 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.402 -26.380 -35.903 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.972 -27.409 -38.114 1.00 63.11 C ATOM 0 H VAL A 83 21.242 -23.746 -36.608 1.00 45.51 H new ATOM 0 HA VAL A 83 22.148 -25.031 -39.071 1.00 23.24 H new ATOM 0 HB VAL A 83 23.816 -25.630 -37.305 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.115 -27.052 -35.426 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.364 -25.441 -35.352 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.414 -26.841 -35.904 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.677 -28.067 -37.607 1.00 63.11 H new ATOM 0 HG22 VAL A 83 22.000 -27.898 -38.177 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.335 -27.194 -39.119 1.00 63.11 H new ATOM 1377 N ILE A 90 15.291 -24.679 -37.364 1.00 10.10 N ATOM 1378 CA ILE A 90 16.548 -23.942 -37.326 1.00 62.35 C ATOM 1379 C ILE A 90 16.856 -23.452 -35.916 1.00 75.12 C ATOM 1380 O ILE A 90 15.999 -22.877 -35.247 1.00 35.51 O ATOM 1381 CB ILE A 90 16.521 -22.735 -38.283 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.057 -23.169 -39.675 1.00 0.30 C ATOM 1383 CG2 ILE A 90 17.896 -22.086 -38.354 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.012 -24.123 -40.359 1.00 52.12 C ATOM 0 HA ILE A 90 17.329 -24.632 -37.646 1.00 62.35 H new ATOM 0 HB ILE A 90 15.813 -22.001 -37.899 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.079 -23.643 -39.592 1.00 0.30 H new ATOM 0 HG13 ILE A 90 15.930 -22.285 -40.299 1.00 0.30 H new ATOM 0 HG21 ILE A 90 17.862 -21.235 -39.034 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.189 -21.746 -37.361 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.623 -22.812 -38.718 1.00 75.22 H new ATOM 0 HD11 ILE A 90 16.620 -24.389 -41.341 1.00 52.12 H new ATOM 0 HD12 ILE A 90 17.984 -23.644 -40.474 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.120 -25.024 -39.756 1.00 52.12 H new ATOM 1396 N ASN A 91 18.086 -23.684 -35.470 1.00 74.31 N ATOM 1397 CA ASN A 91 18.509 -23.265 -34.138 1.00 40.23 C ATOM 1398 C ASN A 91 19.923 -22.695 -34.170 1.00 12.32 C ATOM 1399 O ASN A 91 20.706 -23.001 -35.069 1.00 61.32 O ATOM 1400 CB ASN A 91 18.444 -24.444 -33.166 1.00 75.11 C ATOM 1401 CG ASN A 91 18.824 -25.757 -33.822 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.072 -26.301 -34.631 1.00 42.42 O ATOM 1403 ND2 ASN A 91 19.998 -26.274 -33.477 1.00 13.21 N ATOM 0 H ASN A 91 18.808 -24.160 -36.011 1.00 74.31 H new ATOM 0 HA ASN A 91 17.830 -22.484 -33.797 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.111 -24.255 -32.325 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.435 -24.522 -32.761 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.307 -27.155 -33.887 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.590 -25.790 -32.802 1.00 13.21 H new ATOM 1410 N ASN A 92 20.243 -21.864 -33.183 1.00 4.32 N ATOM 1411 CA ASN A 92 21.563 -21.252 -33.098 1.00 54.51 C ATOM 1412 C ASN A 92 22.580 -22.227 -32.512 1.00 33.33 C ATOM 1413 O ASN A 92 22.237 -23.352 -32.146 1.00 14.13 O ATOM 1414 CB ASN A 92 21.505 -19.983 -32.244 1.00 61.45 C ATOM 1415 CG ASN A 92 20.743 -18.862 -32.924 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.666 -18.467 -32.474 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.297 -18.345 -34.014 1.00 23.44 N ATOM 0 H ASN A 92 19.606 -21.599 -32.431 1.00 4.32 H new ATOM 0 HA ASN A 92 21.880 -20.989 -34.107 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.032 -20.213 -31.289 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.519 -19.649 -32.026 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.829 -17.589 -34.515 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.191 -18.703 -34.351 1.00 23.44 H new ATOM 1424 N LEU A 93 23.830 -21.788 -32.424 1.00 32.05 N ATOM 1425 CA LEU A 93 24.898 -22.622 -31.881 1.00 34.14 C ATOM 1426 C LEU A 93 25.804 -21.813 -30.959 1.00 2.14 C ATOM 1427 O LEU A 93 26.227 -20.708 -31.301 1.00 5.21 O ATOM 1428 CB LEU A 93 25.720 -23.234 -33.016 1.00 74.14 C ATOM 1429 CG LEU A 93 26.923 -24.079 -32.592 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.488 -25.190 -31.649 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.624 -24.658 -33.813 1.00 72.43 C ATOM 0 H LEU A 93 24.130 -20.860 -32.721 1.00 32.05 H new ATOM 0 HA LEU A 93 24.441 -23.423 -31.299 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.060 -23.855 -33.622 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.076 -22.427 -33.657 1.00 74.14 H new ATOM 0 HG LEU A 93 27.627 -23.436 -32.064 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.356 -25.781 -31.358 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.031 -24.755 -30.760 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.765 -25.832 -32.152 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.477 -25.256 -33.493 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.928 -25.287 -34.368 1.00 72.43 H new ATOM 0 HD23 LEU A 93 27.970 -23.846 -34.453 1.00 72.43 H new ATOM 1443 N ILE A 94 26.100 -22.371 -29.790 1.00 14.30 N ATOM 1444 CA ILE A 94 26.960 -21.703 -28.821 1.00 21.03 C ATOM 1445 C ILE A 94 28.088 -22.620 -28.362 1.00 2.32 C ATOM 1446 O ILE A 94 27.903 -23.831 -28.228 1.00 25.24 O ATOM 1447 CB ILE A 94 26.162 -21.233 -27.590 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.089 -20.545 -26.586 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.449 -22.410 -26.941 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.458 -19.354 -25.900 1.00 45.44 C ATOM 0 H ILE A 94 25.757 -23.284 -29.491 1.00 14.30 H new ATOM 0 HA ILE A 94 27.384 -20.833 -29.323 1.00 21.03 H new ATOM 0 HB ILE A 94 25.411 -20.513 -27.915 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.395 -21.269 -25.831 1.00 25.24 H new ATOM 0 HG13 ILE A 94 27.993 -20.221 -27.101 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.889 -22.062 -26.073 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.763 -22.860 -27.658 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.183 -23.152 -26.626 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.172 -18.916 -25.202 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.177 -18.611 -26.646 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.570 -19.676 -25.356 1.00 45.44 H new ATOM 1462 N HIS A 95 29.257 -22.037 -28.121 1.00 34.15 N ATOM 1463 CA HIS A 95 30.416 -22.802 -27.674 1.00 64.32 C ATOM 1464 C HIS A 95 31.032 -22.177 -26.425 1.00 64.02 C ATOM 1465 O HIS A 95 31.623 -21.099 -26.486 1.00 35.41 O ATOM 1466 CB HIS A 95 31.462 -22.882 -28.787 1.00 24.45 C ATOM 1467 CG HIS A 95 30.884 -23.220 -30.127 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.670 -22.280 -31.112 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.479 -24.403 -30.643 1.00 34.13 C ATOM 1470 CE1 HIS A 95 30.156 -22.871 -32.176 1.00 5.54 C ATOM 1471 NE2 HIS A 95 30.031 -24.160 -31.918 1.00 74.23 N ATOM 0 H HIS A 95 29.428 -21.037 -28.228 1.00 34.15 H new ATOM 0 HA HIS A 95 30.081 -23.810 -27.427 1.00 64.32 H new ATOM 0 HB2 HIS A 95 31.982 -21.927 -28.855 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.207 -23.632 -28.522 1.00 24.45 H new ATOM 0 HD1 HIS A 95 30.876 -21.284 -31.032 1.00 4.01 H new ATOM 0 HD2 HIS A 95 30.503 -25.361 -30.145 1.00 34.13 H new ATOM 0 HE1 HIS A 95 29.884 -22.383 -33.100 1.00 5.54 H new ATOM 1479 N VAL A 96 30.886 -22.861 -25.294 1.00 71.10 N ATOM 1480 CA VAL A 96 31.428 -22.372 -24.032 1.00 11.24 C ATOM 1481 C VAL A 96 32.749 -23.057 -23.699 1.00 23.32 C ATOM 1482 O VAL A 96 32.915 -24.255 -23.928 1.00 52.24 O ATOM 1483 CB VAL A 96 30.440 -22.598 -22.872 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.048 -22.142 -21.555 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.129 -21.874 -23.142 1.00 41.02 C ATOM 0 H VAL A 96 30.398 -23.754 -25.226 1.00 71.10 H new ATOM 0 HA VAL A 96 31.597 -21.302 -24.154 1.00 11.24 H new ATOM 0 HB VAL A 96 30.232 -23.665 -22.798 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.335 -22.310 -20.748 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.958 -22.709 -21.359 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.287 -21.080 -21.613 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.442 -22.044 -22.313 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.318 -20.805 -23.244 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.687 -22.254 -24.063 1.00 41.02 H new