USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 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 K(o=-1.2,f=-1.8) USER MOD Set 1.2: A 91 ASN : amide:sc= -1.23 K(o=-1.2,f=-1.8) USER MOD Set 2.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 50 HIS : no HD1:sc= -0.603 K(o=-0.6,f=-0.015) USER MOD Set 3.1: A 34 SER OG : rot 105:sc= 1.45 USER MOD Set 3.2: A 38 ASN : amide:sc= -4.07! C(o=-2.6!,f=-8!) USER MOD Single : A 20 THR OG1 : rot 150:sc= -1.9! USER MOD Single : A 25 SER OG : rot 49:sc= 0.842 USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.174 (180deg=-0.811) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0253 K(o=-0.025,f=-0.96) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00673 USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= 1.79 (180deg=1.13) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0811 K(o=-0.081,f=-1.3!) USER MOD Single : A 64 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-0.34) USER MOD Single : A 66 TYR OH : rot 131:sc= 0.933 USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0.651 (180deg=0.323) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -3.36 K(o=-3.4,f=-1.6) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.861 K(o=-0.86,f=-0.28) USER MOD Single : A 95 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-3.5) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.937 -22.582 -13.367 1.00 12.42 N ATOM 234 CA ALA A 17 29.966 -22.530 -14.823 1.00 42.35 C ATOM 235 C ALA A 17 30.020 -21.089 -15.320 1.00 62.44 C ATOM 236 O ALA A 17 29.502 -20.179 -14.673 1.00 42.53 O ATOM 237 CB ALA A 17 28.754 -23.244 -15.401 1.00 33.33 C ATOM 0 HA ALA A 17 30.869 -23.038 -15.162 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.789 -23.197 -16.489 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.760 -24.286 -15.082 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.844 -22.761 -15.046 1.00 33.33 H new ATOM 243 N ARG A 18 30.652 -20.889 -16.473 1.00 70.43 N ATOM 244 CA ARG A 18 30.775 -19.558 -17.056 1.00 32.44 C ATOM 245 C ARG A 18 29.467 -19.131 -17.716 1.00 34.41 C ATOM 246 O ARG A 18 28.648 -19.957 -18.122 1.00 12.32 O ATOM 247 CB ARG A 18 31.909 -19.531 -18.081 1.00 12.31 C ATOM 248 CG ARG A 18 33.108 -18.707 -17.642 1.00 64.34 C ATOM 249 CD ARG A 18 33.777 -18.022 -18.824 1.00 1.20 C ATOM 250 NE ARG A 18 34.908 -18.792 -19.334 1.00 31.54 N ATOM 251 CZ ARG A 18 35.440 -18.607 -20.537 1.00 74.52 C ATOM 252 NH1 ARG A 18 34.945 -17.682 -21.349 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 36.468 -19.347 -20.930 1.00 25.53 N ATOM 0 H ARG A 18 31.086 -21.631 -17.021 1.00 70.43 H new ATOM 0 HA ARG A 18 31.003 -18.856 -16.254 1.00 32.44 H new ATOM 0 HB2 ARG A 18 32.234 -20.553 -18.278 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.528 -19.131 -19.021 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.790 -17.957 -16.918 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.829 -19.351 -17.138 1.00 64.34 H new ATOM 0 HD2 ARG A 18 33.047 -17.879 -19.621 1.00 1.20 H new ATOM 0 HD3 ARG A 18 34.119 -17.032 -18.523 1.00 1.20 H new ATOM 0 HE ARG A 18 35.312 -19.511 -18.734 1.00 31.54 H new ATOM 0 HH11 ARG A 18 34.154 -17.111 -21.050 1.00 5.14 H new ATOM 0 HH12 ARG A 18 35.355 -17.542 -22.272 1.00 5.14 H new ATOM 0 HH21 ARG A 18 36.851 -20.059 -20.308 1.00 25.53 H new ATOM 0 HH22 ARG A 18 36.876 -19.204 -21.854 1.00 25.53 H new ATOM 267 N PRO A 19 29.264 -17.810 -17.826 1.00 3.15 N ATOM 268 CA PRO A 19 28.058 -17.243 -18.437 1.00 23.40 C ATOM 269 C PRO A 19 28.006 -17.475 -19.943 1.00 70.32 C ATOM 270 O PRO A 19 28.999 -17.866 -20.557 1.00 5.33 O ATOM 271 CB PRO A 19 28.175 -15.747 -18.130 1.00 44.10 C ATOM 272 CG PRO A 19 29.636 -15.508 -17.964 1.00 71.22 C ATOM 273 CD PRO A 19 30.196 -16.768 -17.364 1.00 71.44 C ATOM 0 HA PRO A 19 27.150 -17.703 -18.048 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.764 -15.143 -18.939 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.626 -15.484 -17.226 1.00 44.10 H new ATOM 0 HG2 PRO A 19 30.107 -15.289 -18.922 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.820 -14.652 -17.315 1.00 71.22 H new ATOM 0 HD2 PRO A 19 31.213 -16.958 -17.706 1.00 71.44 H new ATOM 0 HD3 PRO A 19 30.231 -16.714 -16.276 1.00 71.44 H new ATOM 281 N THR A 20 26.841 -17.232 -20.535 1.00 62.41 N ATOM 282 CA THR A 20 26.658 -17.416 -21.968 1.00 11.43 C ATOM 283 C THR A 20 26.666 -16.078 -22.700 1.00 21.11 C ATOM 284 O THR A 20 26.352 -15.039 -22.118 1.00 33.42 O ATOM 285 CB THR A 20 25.339 -18.149 -22.278 1.00 72.41 C ATOM 286 OG1 THR A 20 25.335 -18.596 -23.639 1.00 51.10 O ATOM 287 CG2 THR A 20 24.145 -17.240 -22.034 1.00 52.22 C ATOM 0 H THR A 20 26.009 -16.907 -20.043 1.00 62.41 H new ATOM 0 HA THR A 20 27.493 -18.024 -22.317 1.00 11.43 H new ATOM 0 HB THR A 20 25.262 -19.009 -21.613 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.799 -19.413 -23.713 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.225 -17.779 -22.260 1.00 52.22 H new ATOM 0 HG22 THR A 20 24.135 -16.925 -20.990 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.218 -16.363 -22.677 1.00 52.22 H new ATOM 295 N VAL A 21 27.028 -16.110 -23.979 1.00 64.42 N ATOM 296 CA VAL A 21 27.075 -14.899 -24.790 1.00 34.44 C ATOM 297 C VAL A 21 25.870 -14.814 -25.721 1.00 4.33 C ATOM 298 O VAL A 21 25.842 -15.448 -26.776 1.00 53.11 O ATOM 299 CB VAL A 21 28.364 -14.837 -25.631 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.444 -13.522 -26.389 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.587 -15.027 -24.745 1.00 42.33 C ATOM 0 H VAL A 21 27.293 -16.961 -24.475 1.00 64.42 H new ATOM 0 HA VAL A 21 27.058 -14.055 -24.100 1.00 34.44 H new ATOM 0 HB VAL A 21 28.342 -15.647 -26.360 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.361 -13.496 -26.977 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.584 -13.432 -27.053 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.444 -12.693 -25.681 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.489 -14.980 -25.355 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.617 -14.239 -23.992 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.532 -15.998 -24.252 1.00 42.33 H new ATOM 311 N ILE A 22 24.876 -14.028 -25.322 1.00 22.23 N ATOM 312 CA ILE A 22 23.669 -13.860 -26.121 1.00 2.23 C ATOM 313 C ILE A 22 23.329 -12.384 -26.299 1.00 11.25 C ATOM 314 O ILE A 22 23.456 -11.591 -25.366 1.00 71.43 O ATOM 315 CB ILE A 22 22.465 -14.578 -25.482 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.397 -16.029 -25.962 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.174 -13.843 -25.813 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.982 -17.019 -24.979 1.00 75.24 C ATOM 0 H ILE A 22 24.883 -13.498 -24.451 1.00 22.23 H new ATOM 0 HA ILE A 22 23.872 -14.305 -27.095 1.00 2.23 H new ATOM 0 HB ILE A 22 22.592 -14.579 -24.399 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.357 -16.291 -26.154 1.00 14.22 H new ATOM 0 HG13 ILE A 22 22.927 -16.115 -26.910 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.332 -14.362 -25.355 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.226 -12.825 -25.428 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.038 -13.815 -26.894 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.900 -18.027 -25.385 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.032 -16.782 -24.805 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.437 -16.962 -24.037 1.00 75.24 H new ATOM 330 N ARG A 23 22.897 -12.022 -27.503 1.00 22.13 N ATOM 331 CA ARG A 23 22.539 -10.642 -27.803 1.00 2.21 C ATOM 332 C ARG A 23 21.484 -10.581 -28.905 1.00 24.52 C ATOM 333 O ARG A 23 21.610 -11.244 -29.935 1.00 2.42 O ATOM 334 CB ARG A 23 23.779 -9.851 -28.226 1.00 42.34 C ATOM 335 CG ARG A 23 23.458 -8.502 -28.850 1.00 24.01 C ATOM 336 CD ARG A 23 24.710 -7.659 -29.025 1.00 73.43 C ATOM 337 NE ARG A 23 24.397 -6.300 -29.461 1.00 13.23 N ATOM 338 CZ ARG A 23 25.318 -5.418 -29.835 1.00 71.22 C ATOM 339 NH1 ARG A 23 26.601 -5.750 -29.829 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 24.955 -4.201 -30.218 1.00 52.22 N ATOM 0 H ARG A 23 22.787 -12.666 -28.286 1.00 22.13 H new ATOM 0 HA ARG A 23 22.123 -10.197 -26.899 1.00 2.21 H new ATOM 0 HB2 ARG A 23 24.416 -9.696 -27.355 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.352 -10.444 -28.938 1.00 42.34 H new ATOM 0 HG2 ARG A 23 22.980 -8.652 -29.818 1.00 24.01 H new ATOM 0 HG3 ARG A 23 22.744 -7.970 -28.222 1.00 24.01 H new ATOM 0 HD2 ARG A 23 25.256 -7.621 -28.083 1.00 73.43 H new ATOM 0 HD3 ARG A 23 25.367 -8.132 -29.755 1.00 73.43 H new ATOM 0 HE ARG A 23 23.418 -6.013 -29.479 1.00 13.23 H new ATOM 0 HH11 ARG A 23 26.884 -6.685 -29.537 1.00 41.22 H new ATOM 0 HH12 ARG A 23 27.305 -5.070 -30.117 1.00 41.22 H new ATOM 0 HH21 ARG A 23 23.969 -3.942 -30.226 1.00 52.22 H new ATOM 0 HH22 ARG A 23 25.662 -3.524 -30.505 1.00 52.22 H new ATOM 354 N TRP A 24 20.448 -9.783 -28.680 1.00 71.11 N ATOM 355 CA TRP A 24 19.371 -9.636 -29.653 1.00 14.11 C ATOM 356 C TRP A 24 18.895 -8.189 -29.725 1.00 74.11 C ATOM 357 O TRP A 24 18.616 -7.566 -28.701 1.00 40.02 O ATOM 358 CB TRP A 24 18.200 -10.552 -29.291 1.00 23.53 C ATOM 359 CG TRP A 24 17.012 -10.380 -30.188 1.00 21.02 C ATOM 360 CD1 TRP A 24 15.946 -9.550 -29.985 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.768 -11.055 -31.427 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.054 -9.669 -31.024 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.535 -10.584 -31.922 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.472 -12.007 -32.168 1.00 55.20 C ATOM 365 CZ2 TRP A 24 14.994 -11.037 -33.121 1.00 23.31 C ATOM 366 CZ3 TRP A 24 16.933 -12.457 -33.358 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.705 -11.971 -33.826 1.00 42.54 C ATOM 0 H TRP A 24 20.330 -9.227 -27.833 1.00 71.11 H new ATOM 0 HA TRP A 24 19.758 -9.921 -30.631 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.532 -11.589 -29.335 1.00 23.53 H new ATOM 0 HB3 TRP A 24 17.900 -10.357 -28.261 1.00 23.53 H new ATOM 0 HD1 TRP A 24 15.822 -8.897 -29.134 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.176 -9.158 -31.112 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.421 -12.385 -31.817 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.047 -10.665 -33.483 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.467 -13.196 -33.937 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.311 -12.340 -34.761 1.00 42.54 H new ATOM 378 N SER A 25 18.806 -7.660 -30.941 1.00 14.13 N ATOM 379 CA SER A 25 18.368 -6.284 -31.146 1.00 42.24 C ATOM 380 C SER A 25 17.360 -6.199 -32.289 1.00 64.44 C ATOM 381 O SER A 25 17.734 -6.212 -33.461 1.00 51.21 O ATOM 382 CB SER A 25 19.568 -5.383 -31.441 1.00 73.05 C ATOM 383 OG SER A 25 20.249 -5.807 -32.609 1.00 65.11 O ATOM 0 H SER A 25 19.031 -8.163 -31.799 1.00 14.13 H new ATOM 0 HA SER A 25 17.883 -5.943 -30.231 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.232 -4.354 -31.566 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.252 -5.394 -30.593 1.00 73.05 H new ATOM 0 HG SER A 25 19.602 -5.950 -33.331 1.00 65.11 H new ATOM 389 N GLU A 26 16.081 -6.114 -31.936 1.00 53.54 N ATOM 390 CA GLU A 26 15.020 -6.028 -32.932 1.00 53.15 C ATOM 391 C GLU A 26 13.988 -4.975 -32.538 1.00 73.25 C ATOM 392 O GLU A 26 13.791 -3.988 -33.246 1.00 53.42 O ATOM 393 CB GLU A 26 14.337 -7.387 -33.101 1.00 25.03 C ATOM 394 CG GLU A 26 13.507 -7.498 -34.368 1.00 61.21 C ATOM 395 CD GLU A 26 14.360 -7.577 -35.620 1.00 62.40 C ATOM 396 OE1 GLU A 26 14.890 -6.529 -36.044 1.00 31.44 O ATOM 397 OE2 GLU A 26 14.497 -8.687 -36.176 1.00 63.14 O1- ATOM 0 H GLU A 26 15.755 -6.103 -30.969 1.00 53.54 H new ATOM 0 HA GLU A 26 15.470 -5.735 -33.880 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.097 -8.168 -33.105 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.695 -7.571 -32.239 1.00 25.03 H new ATOM 0 HG2 GLU A 26 12.875 -8.384 -34.307 1.00 61.21 H new ATOM 0 HG3 GLU A 26 12.843 -6.637 -34.439 1.00 61.21 H new ATOM 404 N GLY A 27 13.332 -5.192 -31.402 1.00 44.43 N ATOM 405 CA GLY A 27 12.329 -4.255 -30.933 1.00 31.34 C ATOM 406 C GLY A 27 11.000 -4.925 -30.640 1.00 63.32 C ATOM 407 O GLY A 27 9.941 -4.339 -30.855 1.00 61.55 O ATOM 0 H GLY A 27 13.478 -6.001 -30.798 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.691 -3.762 -30.030 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.183 -3.478 -31.684 1.00 31.34 H new ATOM 411 N GLY A 28 11.058 -6.160 -30.149 1.00 21.34 N ATOM 412 CA GLY A 28 9.844 -6.890 -29.836 1.00 62.33 C ATOM 413 C GLY A 28 9.259 -6.497 -28.494 1.00 50.05 C ATOM 414 O GLY A 28 9.605 -5.453 -27.940 1.00 23.31 O ATOM 0 H GLY A 28 11.923 -6.667 -29.963 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.105 -6.711 -30.617 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.056 -7.959 -29.837 1.00 62.33 H new ATOM 418 N LYS A 29 8.372 -7.333 -27.969 1.00 15.42 N ATOM 419 CA LYS A 29 7.737 -7.069 -26.683 1.00 45.44 C ATOM 420 C LYS A 29 8.331 -7.953 -25.591 1.00 12.10 C ATOM 421 O LYS A 29 8.362 -7.572 -24.421 1.00 63.53 O ATOM 422 CB LYS A 29 6.228 -7.302 -26.779 1.00 41.32 C ATOM 423 CG LYS A 29 5.533 -6.389 -27.774 1.00 72.44 C ATOM 424 CD LYS A 29 4.077 -6.162 -27.401 1.00 52.45 C ATOM 425 CE LYS A 29 3.917 -4.947 -26.500 1.00 71.52 C ATOM 426 NZ LYS A 29 4.155 -5.282 -25.069 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.075 -8.201 -28.415 1.00 15.42 H new ATOM 0 HA LYS A 29 7.921 -6.027 -26.422 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.046 -8.339 -27.062 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.783 -7.158 -25.794 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.052 -5.432 -27.815 1.00 72.44 H new ATOM 0 HG3 LYS A 29 5.590 -6.826 -28.771 1.00 72.44 H new ATOM 0 HD2 LYS A 29 3.485 -6.026 -28.306 1.00 52.45 H new ATOM 0 HD3 LYS A 29 3.688 -7.046 -26.895 1.00 52.45 H new ATOM 0 HE2 LYS A 29 4.614 -4.169 -26.812 1.00 71.52 H new ATOM 0 HE3 LYS A 29 2.913 -4.539 -26.615 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 3.707 -4.564 -24.465 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 3.747 -6.215 -24.858 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 5.178 -5.302 -24.883 1.00 53.32 H new ATOM 440 N GLU A 30 8.801 -9.133 -25.982 1.00 44.21 N ATOM 441 CA GLU A 30 9.394 -10.070 -25.034 1.00 11.54 C ATOM 442 C GLU A 30 10.347 -11.029 -25.742 1.00 2.32 C ATOM 443 O GLU A 30 10.039 -11.551 -26.813 1.00 51.51 O ATOM 444 CB GLU A 30 8.302 -10.860 -24.312 1.00 14.34 C ATOM 445 CG GLU A 30 7.615 -11.893 -25.191 1.00 21.41 C ATOM 446 CD GLU A 30 6.255 -12.300 -24.659 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.511 -11.411 -24.193 1.00 2.20 O ATOM 448 OE2 GLU A 30 5.934 -13.505 -24.709 1.00 74.24 O1- ATOM 0 H GLU A 30 8.783 -9.463 -26.947 1.00 44.21 H new ATOM 0 HA GLU A 30 9.961 -9.496 -24.301 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.739 -11.363 -23.449 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.554 -10.165 -23.931 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.502 -11.490 -26.198 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.249 -12.776 -25.271 1.00 21.41 H new ATOM 455 N VAL A 31 11.508 -11.255 -25.135 1.00 1.21 N ATOM 456 CA VAL A 31 12.507 -12.151 -25.706 1.00 20.01 C ATOM 457 C VAL A 31 12.916 -13.227 -24.705 1.00 24.24 C ATOM 458 O VAL A 31 13.213 -12.932 -23.547 1.00 60.13 O ATOM 459 CB VAL A 31 13.762 -11.380 -26.155 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.739 -12.311 -26.858 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.378 -10.217 -27.058 1.00 53.33 C ATOM 0 H VAL A 31 11.780 -10.830 -24.248 1.00 1.21 H new ATOM 0 HA VAL A 31 12.049 -12.622 -26.576 1.00 20.01 H new ATOM 0 HB VAL A 31 14.255 -10.977 -25.270 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.619 -11.748 -27.168 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.039 -13.106 -26.176 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.260 -12.747 -27.735 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.277 -9.683 -27.366 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.861 -10.596 -27.940 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.720 -9.537 -26.516 1.00 53.33 H new ATOM 471 N PHE A 32 12.930 -14.475 -25.160 1.00 63.42 N ATOM 472 CA PHE A 32 13.302 -15.596 -24.304 1.00 64.12 C ATOM 473 C PHE A 32 14.269 -16.532 -25.023 1.00 21.54 C ATOM 474 O PHE A 32 14.224 -16.667 -26.247 1.00 42.43 O ATOM 475 CB PHE A 32 12.055 -16.369 -23.870 1.00 75.51 C ATOM 476 CG PHE A 32 11.168 -15.600 -22.933 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.384 -15.639 -21.564 1.00 72.34 C ATOM 478 CD2 PHE A 32 10.119 -14.837 -23.420 1.00 62.05 C ATOM 479 CE1 PHE A 32 10.570 -14.932 -20.700 1.00 32.23 C ATOM 480 CE2 PHE A 32 9.303 -14.127 -22.561 1.00 3.23 C ATOM 481 CZ PHE A 32 9.528 -14.176 -21.198 1.00 24.12 C ATOM 0 H PHE A 32 12.688 -14.736 -26.116 1.00 63.42 H new ATOM 0 HA PHE A 32 13.800 -15.196 -23.420 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.482 -16.645 -24.755 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.362 -17.297 -23.387 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.198 -16.229 -21.169 1.00 72.34 H new ATOM 0 HD2 PHE A 32 9.937 -14.797 -24.484 1.00 62.05 H new ATOM 0 HE1 PHE A 32 10.749 -14.971 -19.636 1.00 32.23 H new ATOM 0 HE2 PHE A 32 8.490 -13.534 -22.954 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.890 -13.624 -20.524 1.00 24.12 H new ATOM 491 N ILE A 33 15.143 -17.173 -24.255 1.00 13.35 N ATOM 492 CA ILE A 33 16.122 -18.096 -24.819 1.00 22.33 C ATOM 493 C ILE A 33 15.959 -19.494 -24.232 1.00 62.43 C ATOM 494 O ILE A 33 15.669 -19.651 -23.047 1.00 63.03 O ATOM 495 CB ILE A 33 17.562 -17.610 -24.570 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.561 -18.524 -25.283 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.852 -17.559 -23.077 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.005 -18.190 -24.982 1.00 22.31 C ATOM 0 H ILE A 33 15.194 -17.071 -23.241 1.00 13.35 H new ATOM 0 HA ILE A 33 15.941 -18.132 -25.893 1.00 22.33 H new ATOM 0 HB ILE A 33 17.667 -16.603 -24.975 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.367 -19.557 -24.993 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.398 -18.459 -26.359 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.873 -17.214 -22.916 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.157 -16.872 -22.595 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.734 -18.555 -22.649 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.657 -18.877 -25.520 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.215 -17.168 -25.297 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.184 -18.283 -23.911 1.00 22.31 H new ATOM 510 N SER A 34 16.151 -20.507 -25.071 1.00 25.03 N ATOM 511 CA SER A 34 16.025 -21.894 -24.636 1.00 60.30 C ATOM 512 C SER A 34 16.957 -22.800 -25.433 1.00 10.42 C ATOM 513 O SER A 34 17.104 -22.648 -26.645 1.00 43.22 O ATOM 514 CB SER A 34 14.578 -22.368 -24.791 1.00 31.12 C ATOM 515 OG SER A 34 14.320 -23.490 -23.965 1.00 65.53 O ATOM 0 H SER A 34 16.394 -20.394 -26.055 1.00 25.03 H new ATOM 0 HA SER A 34 16.308 -21.947 -23.585 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.896 -21.557 -24.533 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.386 -22.627 -25.832 1.00 31.12 H new ATOM 0 HG SER A 34 13.786 -23.211 -23.192 1.00 65.53 H new ATOM 521 N GLY A 35 17.588 -23.746 -24.742 1.00 50.42 N ATOM 522 CA GLY A 35 18.498 -24.664 -25.400 1.00 51.10 C ATOM 523 C GLY A 35 18.543 -26.019 -24.725 1.00 32.54 C ATOM 524 O GLY A 35 17.683 -26.342 -23.907 1.00 42.30 O ATOM 0 H GLY A 35 17.484 -23.892 -23.738 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.194 -24.789 -26.439 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.499 -24.233 -25.410 1.00 51.10 H new ATOM 528 N SER A 36 19.549 -26.817 -25.070 1.00 50.42 N ATOM 529 CA SER A 36 19.699 -28.149 -24.495 1.00 60.21 C ATOM 530 C SER A 36 20.162 -28.065 -23.044 1.00 34.32 C ATOM 531 O SER A 36 20.023 -29.021 -22.280 1.00 45.21 O ATOM 532 CB SER A 36 20.698 -28.970 -25.314 1.00 64.21 C ATOM 533 OG SER A 36 21.337 -29.946 -24.509 1.00 43.11 O ATOM 0 H SER A 36 20.272 -26.565 -25.744 1.00 50.42 H new ATOM 0 HA SER A 36 18.727 -28.641 -24.520 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.182 -29.457 -26.141 1.00 64.21 H new ATOM 0 HB3 SER A 36 21.446 -28.308 -25.751 1.00 64.21 H new ATOM 0 HG SER A 36 21.969 -30.458 -25.056 1.00 43.11 H new ATOM 539 N PHE A 37 20.713 -26.915 -22.670 1.00 5.12 N ATOM 540 CA PHE A 37 21.197 -26.705 -21.311 1.00 1.32 C ATOM 541 C PHE A 37 20.059 -26.834 -20.302 1.00 52.10 C ATOM 542 O PHE A 37 20.291 -27.027 -19.110 1.00 24.42 O ATOM 543 CB PHE A 37 21.850 -25.327 -21.186 1.00 52.43 C ATOM 544 CG PHE A 37 20.948 -24.197 -21.593 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.060 -23.642 -20.686 1.00 12.31 C ATOM 546 CD2 PHE A 37 20.988 -23.690 -22.882 1.00 64.24 C ATOM 547 CE1 PHE A 37 19.229 -22.602 -21.058 1.00 24.25 C ATOM 548 CE2 PHE A 37 20.159 -22.651 -23.260 1.00 64.25 C ATOM 549 CZ PHE A 37 19.279 -22.105 -22.346 1.00 63.21 C ATOM 0 H PHE A 37 20.835 -26.114 -23.290 1.00 5.12 H new ATOM 0 HA PHE A 37 21.940 -27.472 -21.095 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.166 -25.176 -20.154 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.750 -25.303 -21.801 1.00 52.43 H new ATOM 0 HD1 PHE A 37 20.017 -24.026 -19.678 1.00 12.31 H new ATOM 0 HD2 PHE A 37 21.676 -24.112 -23.600 1.00 64.24 H new ATOM 0 HE1 PHE A 37 18.541 -22.178 -20.342 1.00 24.25 H new ATOM 0 HE2 PHE A 37 20.199 -22.267 -24.268 1.00 64.25 H new ATOM 0 HZ PHE A 37 18.631 -21.291 -22.638 1.00 63.21 H new ATOM 559 N ASN A 38 18.828 -26.724 -20.791 1.00 73.11 N ATOM 560 CA ASN A 38 17.653 -26.825 -19.932 1.00 10.42 C ATOM 561 C ASN A 38 16.667 -27.853 -20.481 1.00 21.43 C ATOM 562 O ASN A 38 15.523 -27.930 -20.035 1.00 31.21 O ATOM 563 CB ASN A 38 16.969 -25.463 -19.804 1.00 72.03 C ATOM 564 CG ASN A 38 16.021 -25.182 -20.955 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.858 -25.584 -20.928 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.516 -24.488 -21.973 1.00 44.21 N ATOM 0 H ASN A 38 18.618 -26.565 -21.776 1.00 73.11 H new ATOM 0 HA ASN A 38 17.981 -27.152 -18.945 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.418 -25.423 -18.865 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.727 -24.681 -19.762 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.926 -24.268 -22.775 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.486 -24.175 -21.953 1.00 44.21 H new ATOM 573 N ASN A 39 17.120 -28.641 -21.451 1.00 32.24 N ATOM 574 CA ASN A 39 16.278 -29.664 -22.060 1.00 20.50 C ATOM 575 C ASN A 39 15.090 -29.033 -22.779 1.00 23.03 C ATOM 576 O ASN A 39 14.075 -29.689 -23.014 1.00 14.24 O ATOM 577 CB ASN A 39 15.782 -30.646 -20.996 1.00 75.11 C ATOM 578 CG ASN A 39 15.490 -32.019 -21.569 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.246 -32.166 -22.766 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.512 -33.034 -20.712 1.00 64.12 N ATOM 0 H ASN A 39 18.065 -28.591 -21.832 1.00 32.24 H new ATOM 0 HA ASN A 39 16.878 -30.205 -22.792 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.532 -30.735 -20.210 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.879 -30.249 -20.532 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.322 -33.981 -21.039 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.719 -32.866 -19.728 1.00 64.12 H new ATOM 587 N TRP A 40 15.225 -27.758 -23.126 1.00 1.42 N ATOM 588 CA TRP A 40 14.161 -27.039 -23.819 1.00 70.44 C ATOM 589 C TRP A 40 12.835 -27.185 -23.082 1.00 14.41 C ATOM 590 O TRP A 40 11.768 -27.168 -23.696 1.00 75.11 O ATOM 591 CB TRP A 40 14.022 -27.552 -25.253 1.00 13.40 C ATOM 592 CG TRP A 40 15.319 -27.577 -26.003 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.333 -28.480 -25.857 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.741 -26.658 -27.017 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.361 -28.177 -26.717 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.022 -27.064 -27.440 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.161 -25.533 -27.608 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.730 -26.383 -28.427 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.866 -24.857 -28.588 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.138 -25.284 -28.989 1.00 62.54 C ATOM 0 H TRP A 40 16.059 -27.201 -22.939 1.00 1.42 H new ATOM 0 HA TRP A 40 14.426 -25.982 -23.843 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.603 -28.558 -25.232 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.312 -26.922 -25.789 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.328 -29.311 -25.167 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.235 -28.696 -26.803 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.180 -25.197 -27.306 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.711 -26.710 -28.738 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.428 -23.985 -29.051 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.663 -24.735 -29.757 1.00 62.54 H new ATOM 611 N SER A 41 12.908 -27.329 -21.762 1.00 25.55 N ATOM 612 CA SER A 41 11.711 -27.481 -20.943 1.00 24.31 C ATOM 613 C SER A 41 11.416 -26.201 -20.169 1.00 73.12 C ATOM 614 O SER A 41 10.618 -26.198 -19.231 1.00 72.53 O ATOM 615 CB SER A 41 11.880 -28.652 -19.972 1.00 23.43 C ATOM 616 OG SER A 41 10.626 -29.231 -19.649 1.00 55.35 O ATOM 0 H SER A 41 13.783 -27.344 -21.238 1.00 25.55 H new ATOM 0 HA SER A 41 10.869 -27.685 -21.605 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.529 -29.407 -20.416 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.370 -28.306 -19.062 1.00 23.43 H new ATOM 0 HG SER A 41 10.761 -29.978 -19.029 1.00 55.35 H new ATOM 622 N THR A 42 12.067 -25.113 -20.567 1.00 74.23 N ATOM 623 CA THR A 42 11.876 -23.825 -19.912 1.00 14.13 C ATOM 624 C THR A 42 12.456 -22.690 -20.749 1.00 20.24 C ATOM 625 O THR A 42 13.392 -22.891 -21.523 1.00 53.41 O ATOM 626 CB THR A 42 12.529 -23.803 -18.516 1.00 54.43 C ATOM 627 OG1 THR A 42 12.292 -22.540 -17.885 1.00 52.32 O ATOM 628 CG2 THR A 42 14.026 -24.053 -18.616 1.00 23.45 C ATOM 0 H THR A 42 12.732 -25.098 -21.340 1.00 74.23 H new ATOM 0 HA THR A 42 10.801 -23.681 -19.806 1.00 14.13 H new ATOM 0 HB THR A 42 12.083 -24.597 -17.917 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.708 -22.534 -16.998 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.466 -24.033 -17.619 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.203 -25.028 -19.071 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.484 -23.278 -19.230 1.00 23.45 H new ATOM 636 N LYS A 43 11.894 -21.496 -20.589 1.00 1.11 N ATOM 637 CA LYS A 43 12.357 -20.328 -21.328 1.00 64.11 C ATOM 638 C LYS A 43 13.070 -19.347 -20.405 1.00 3.12 C ATOM 639 O LYS A 43 12.481 -18.835 -19.453 1.00 72.24 O ATOM 640 CB LYS A 43 11.177 -19.634 -22.014 1.00 65.14 C ATOM 641 CG LYS A 43 10.787 -20.263 -23.339 1.00 42.20 C ATOM 642 CD LYS A 43 10.224 -19.233 -24.303 1.00 2.13 C ATOM 643 CE LYS A 43 9.173 -19.840 -25.219 1.00 63.12 C ATOM 644 NZ LYS A 43 7.876 -19.114 -25.133 1.00 4.54 N1+ ATOM 0 H LYS A 43 11.117 -21.312 -19.954 1.00 1.11 H new ATOM 0 HA LYS A 43 13.064 -20.665 -22.086 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.317 -19.653 -21.345 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.429 -18.586 -22.179 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.658 -20.742 -23.786 1.00 42.20 H new ATOM 0 HG3 LYS A 43 10.047 -21.044 -23.168 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.785 -18.409 -23.741 1.00 2.13 H new ATOM 0 HD3 LYS A 43 11.032 -18.815 -24.903 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.533 -19.820 -26.248 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.022 -20.887 -24.955 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.114 -19.719 -25.501 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.678 -18.873 -24.141 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 7.928 -18.242 -25.697 1.00 4.54 H new ATOM 658 N ILE A 44 14.342 -19.089 -20.691 1.00 22.14 N ATOM 659 CA ILE A 44 15.134 -18.167 -19.888 1.00 54.22 C ATOM 660 C ILE A 44 14.900 -16.723 -20.316 1.00 22.01 C ATOM 661 O ILE A 44 14.929 -16.388 -21.501 1.00 31.33 O ATOM 662 CB ILE A 44 16.638 -18.483 -19.987 1.00 4.25 C ATOM 663 CG1 ILE A 44 17.001 -19.641 -19.056 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.463 -17.248 -19.652 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.407 -20.966 -19.479 1.00 62.32 C ATOM 0 H ILE A 44 14.846 -19.506 -21.474 1.00 22.14 H new ATOM 0 HA ILE A 44 14.812 -18.293 -18.854 1.00 54.22 H new ATOM 0 HB ILE A 44 16.864 -18.780 -21.011 1.00 4.25 H new ATOM 0 HG12 ILE A 44 18.086 -19.736 -19.013 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.662 -19.406 -18.047 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.524 -17.488 -19.726 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.222 -16.448 -20.352 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.235 -16.922 -18.637 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.706 -21.741 -18.773 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.320 -20.889 -19.494 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.766 -21.224 -20.475 1.00 62.32 H new ATOM 677 N PRO A 45 14.664 -15.843 -19.331 1.00 72.14 N ATOM 678 CA PRO A 45 14.423 -14.419 -19.582 1.00 74.30 C ATOM 679 C PRO A 45 15.676 -13.695 -20.061 1.00 3.41 C ATOM 680 O PRO A 45 16.773 -13.927 -19.552 1.00 31.12 O ATOM 681 CB PRO A 45 13.987 -13.887 -18.215 1.00 2.44 C ATOM 682 CG PRO A 45 14.600 -14.823 -17.231 1.00 44.21 C ATOM 683 CD PRO A 45 14.615 -16.172 -17.897 1.00 20.33 C ATOM 0 HA PRO A 45 13.686 -14.263 -20.370 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.334 -12.866 -18.059 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.901 -13.872 -18.124 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.609 -14.506 -16.968 1.00 44.21 H new ATOM 0 HG3 PRO A 45 14.023 -14.850 -16.307 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.479 -16.762 -17.590 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.727 -16.753 -17.648 1.00 20.33 H new ATOM 691 N LEU A 46 15.506 -12.816 -21.042 1.00 64.14 N ATOM 692 CA LEU A 46 16.624 -12.055 -21.591 1.00 65.52 C ATOM 693 C LEU A 46 16.727 -10.684 -20.931 1.00 32.13 C ATOM 694 O LEU A 46 15.878 -9.818 -21.144 1.00 65.14 O ATOM 695 CB LEU A 46 16.465 -11.896 -23.104 1.00 61.33 C ATOM 696 CG LEU A 46 17.467 -12.661 -23.968 1.00 32.01 C ATOM 697 CD1 LEU A 46 17.014 -14.100 -24.162 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.647 -11.972 -25.313 1.00 72.32 C ATOM 0 H LEU A 46 14.605 -12.612 -21.474 1.00 64.14 H new ATOM 0 HA LEU A 46 17.542 -12.606 -21.385 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.460 -12.216 -23.379 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.540 -10.836 -23.348 1.00 61.33 H new ATOM 0 HG LEU A 46 18.428 -12.669 -23.455 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.739 -14.630 -24.780 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.936 -14.591 -23.192 1.00 34.30 H new ATOM 0 HD13 LEU A 46 16.041 -14.112 -24.654 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.364 -12.531 -25.915 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.690 -11.933 -25.833 1.00 72.32 H new ATOM 0 HD23 LEU A 46 18.017 -10.959 -25.156 1.00 72.32 H new ATOM 710 N ILE A 47 17.770 -10.495 -20.131 1.00 14.12 N ATOM 711 CA ILE A 47 17.985 -9.227 -19.443 1.00 74.30 C ATOM 712 C ILE A 47 17.924 -8.056 -20.418 1.00 14.44 C ATOM 713 O ILE A 47 18.870 -7.806 -21.165 1.00 31.41 O ATOM 714 CB ILE A 47 19.341 -9.205 -18.714 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.438 -10.374 -17.732 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.531 -7.881 -17.989 1.00 33.01 C ATOM 717 CD1 ILE A 47 18.338 -10.383 -16.694 1.00 44.14 C ATOM 0 H ILE A 47 18.480 -11.203 -19.943 1.00 14.12 H new ATOM 0 HA ILE A 47 17.186 -9.127 -18.708 1.00 74.30 H new ATOM 0 HB ILE A 47 20.135 -9.310 -19.453 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.408 -11.310 -18.290 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.403 -10.335 -17.227 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.494 -7.881 -17.478 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.502 -7.064 -18.710 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.733 -7.748 -17.258 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.470 -11.239 -16.032 1.00 44.14 H new ATOM 0 HD12 ILE A 47 18.380 -9.463 -16.111 1.00 44.14 H new ATOM 0 HD13 ILE A 47 17.370 -10.454 -17.190 1.00 44.14 H new ATOM 729 N LYS A 48 16.806 -7.338 -20.402 1.00 15.21 N ATOM 730 CA LYS A 48 16.621 -6.190 -21.281 1.00 3.13 C ATOM 731 C LYS A 48 17.590 -5.067 -20.920 1.00 43.44 C ATOM 732 O LYS A 48 17.571 -4.555 -19.801 1.00 42.12 O ATOM 733 CB LYS A 48 15.180 -5.682 -21.196 1.00 15.03 C ATOM 734 CG LYS A 48 14.690 -5.023 -22.473 1.00 21.42 C ATOM 735 CD LYS A 48 13.173 -5.021 -22.554 1.00 24.00 C ATOM 736 CE LYS A 48 12.679 -4.213 -23.744 1.00 64.10 C ATOM 737 NZ LYS A 48 12.467 -2.781 -23.392 1.00 1.32 N1+ ATOM 0 H LYS A 48 16.014 -7.531 -19.789 1.00 15.21 H new ATOM 0 HA LYS A 48 16.826 -6.510 -22.303 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.523 -6.517 -20.953 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.103 -4.968 -20.376 1.00 15.03 H new ATOM 0 HG2 LYS A 48 15.059 -3.998 -22.519 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.100 -5.549 -23.335 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.811 -6.046 -22.633 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.759 -4.607 -21.635 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.402 -4.284 -24.557 1.00 64.10 H new ATOM 0 HE3 LYS A 48 11.745 -4.639 -24.110 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 12.130 -2.264 -24.229 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 11.758 -2.711 -22.634 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 13.364 -2.367 -23.067 1.00 1.32 H new ATOM 751 N SER A 49 18.432 -4.688 -21.876 1.00 43.44 N ATOM 752 CA SER A 49 19.409 -3.628 -21.658 1.00 72.14 C ATOM 753 C SER A 49 19.063 -2.392 -22.484 1.00 60.13 C ATOM 754 O SER A 49 18.391 -2.487 -23.511 1.00 5.42 O ATOM 755 CB SER A 49 20.813 -4.118 -22.015 1.00 41.12 C ATOM 756 OG SER A 49 21.805 -3.337 -21.369 1.00 21.32 O ATOM 0 H SER A 49 18.457 -5.099 -22.809 1.00 43.44 H new ATOM 0 HA SER A 49 19.385 -3.357 -20.603 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.922 -5.163 -21.724 1.00 41.12 H new ATOM 0 HB3 SER A 49 20.955 -4.071 -23.095 1.00 41.12 H new ATOM 0 HG SER A 49 22.694 -3.671 -21.612 1.00 21.32 H new ATOM 762 N HIS A 50 19.528 -1.234 -22.027 1.00 41.43 N ATOM 763 CA HIS A 50 19.269 0.021 -22.724 1.00 30.33 C ATOM 764 C HIS A 50 19.786 -0.037 -24.158 1.00 5.15 C ATOM 765 O HIS A 50 19.326 0.707 -25.024 1.00 32.14 O ATOM 766 CB HIS A 50 19.924 1.186 -21.981 1.00 41.03 C ATOM 767 CG HIS A 50 21.421 1.147 -22.007 1.00 40.43 C ATOM 768 ND1 HIS A 50 22.201 2.277 -22.135 1.00 11.43 N ATOM 769 CD2 HIS A 50 22.281 0.107 -21.917 1.00 70.45 C ATOM 770 CE1 HIS A 50 23.476 1.933 -22.127 1.00 0.03 C ATOM 771 NE2 HIS A 50 23.552 0.621 -21.995 1.00 34.54 N ATOM 0 H HIS A 50 20.085 -1.138 -21.178 1.00 41.43 H new ATOM 0 HA HIS A 50 18.191 0.177 -22.751 1.00 30.33 H new ATOM 0 HB2 HIS A 50 19.585 2.124 -22.422 1.00 41.03 H new ATOM 0 HB3 HIS A 50 19.587 1.181 -20.945 1.00 41.03 H new ATOM 0 HD2 HIS A 50 22.017 -0.934 -21.805 1.00 70.45 H new ATOM 0 HE1 HIS A 50 24.314 2.609 -22.214 1.00 0.03 H new ATOM 0 HE2 HIS A 50 24.415 0.078 -21.957 1.00 34.54 H new ATOM 779 N ASN A 51 20.744 -0.925 -24.402 1.00 15.24 N ATOM 780 CA ASN A 51 21.324 -1.079 -25.731 1.00 64.25 C ATOM 781 C ASN A 51 20.566 -2.129 -26.537 1.00 63.54 C ATOM 782 O ASN A 51 20.196 -1.896 -27.688 1.00 35.54 O ATOM 783 CB ASN A 51 22.799 -1.470 -25.624 1.00 63.32 C ATOM 784 CG ASN A 51 23.569 -1.172 -26.897 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.039 -1.298 -28.000 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.828 -0.776 -26.746 1.00 71.10 N ATOM 0 H ASN A 51 21.135 -1.549 -23.696 1.00 15.24 H new ATOM 0 HA ASN A 51 21.245 -0.123 -26.248 1.00 64.25 H new ATOM 0 HB2 ASN A 51 23.255 -0.933 -24.792 1.00 63.32 H new ATOM 0 HB3 ASN A 51 22.875 -2.533 -25.397 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.397 -0.562 -27.565 1.00 71.10 H new ATOM 0 HD22 ASN A 51 25.226 -0.686 -25.811 1.00 71.10 H new ATOM 793 N ASP A 52 20.337 -3.285 -25.924 1.00 2.33 N ATOM 794 CA ASP A 52 19.621 -4.372 -26.584 1.00 51.51 C ATOM 795 C ASP A 52 19.352 -5.516 -25.610 1.00 40.41 C ATOM 796 O ASP A 52 19.632 -5.407 -24.416 1.00 50.31 O ATOM 797 CB ASP A 52 20.419 -4.883 -27.784 1.00 20.42 C ATOM 798 CG ASP A 52 21.812 -5.342 -27.399 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.924 -6.311 -26.621 1.00 62.31 O ATOM 800 OD2 ASP A 52 22.791 -4.731 -27.878 1.00 62.02 O1- ATOM 0 H ASP A 52 20.636 -3.494 -24.972 1.00 2.33 H new ATOM 0 HA ASP A 52 18.664 -3.984 -26.934 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.882 -5.710 -28.248 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.493 -4.092 -28.531 1.00 20.42 H new ATOM 805 N PHE A 53 18.809 -6.612 -26.129 1.00 23.22 N ATOM 806 CA PHE A 53 18.502 -7.776 -25.306 1.00 74.32 C ATOM 807 C PHE A 53 19.721 -8.683 -25.170 1.00 74.52 C ATOM 808 O PHE A 53 20.556 -8.759 -26.071 1.00 63.11 O ATOM 809 CB PHE A 53 17.333 -8.559 -25.908 1.00 20.02 C ATOM 810 CG PHE A 53 16.063 -7.762 -26.001 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.820 -6.945 -27.093 1.00 71.15 C ATOM 812 CD2 PHE A 53 15.112 -7.830 -24.996 1.00 41.23 C ATOM 813 CE1 PHE A 53 14.652 -6.212 -27.182 1.00 34.33 C ATOM 814 CE2 PHE A 53 13.943 -7.099 -25.078 1.00 25.13 C ATOM 815 CZ PHE A 53 13.712 -6.288 -26.173 1.00 23.43 C ATOM 0 H PHE A 53 18.572 -6.719 -27.115 1.00 23.22 H new ATOM 0 HA PHE A 53 18.221 -7.424 -24.313 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.611 -8.903 -26.904 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.152 -9.448 -25.304 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.552 -6.880 -27.884 1.00 71.15 H new ATOM 0 HD2 PHE A 53 15.287 -8.462 -24.138 1.00 41.23 H new ATOM 0 HE1 PHE A 53 14.474 -5.580 -28.040 1.00 34.33 H new ATOM 0 HE2 PHE A 53 13.210 -7.161 -24.287 1.00 25.13 H new ATOM 0 HZ PHE A 53 12.799 -5.715 -26.239 1.00 23.43 H new ATOM 825 N VAL A 54 19.816 -9.372 -24.037 1.00 60.01 N ATOM 826 CA VAL A 54 20.931 -10.277 -23.783 1.00 21.43 C ATOM 827 C VAL A 54 20.529 -11.388 -22.821 1.00 43.31 C ATOM 828 O VAL A 54 19.566 -11.252 -22.067 1.00 73.14 O ATOM 829 CB VAL A 54 22.143 -9.523 -23.203 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.831 -8.704 -24.284 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.713 -8.635 -22.044 1.00 4.03 C ATOM 0 H VAL A 54 19.134 -9.321 -23.280 1.00 60.01 H new ATOM 0 HA VAL A 54 21.209 -10.715 -24.742 1.00 21.43 H new ATOM 0 HB VAL A 54 22.857 -10.255 -22.826 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.684 -8.179 -23.855 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.175 -9.366 -25.079 1.00 42.10 H new ATOM 0 HG13 VAL A 54 22.128 -7.979 -24.694 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.581 -8.110 -21.646 1.00 4.03 H new ATOM 0 HG22 VAL A 54 20.979 -7.909 -22.395 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.270 -9.249 -21.260 1.00 4.03 H new ATOM 841 N ALA A 55 21.274 -12.489 -22.852 1.00 4.51 N ATOM 842 CA ALA A 55 20.996 -13.623 -21.981 1.00 54.01 C ATOM 843 C ALA A 55 22.252 -14.063 -21.236 1.00 32.03 C ATOM 844 O ALA A 55 23.348 -14.072 -21.799 1.00 42.01 O ATOM 845 CB ALA A 55 20.427 -14.781 -22.787 1.00 40.42 C ATOM 0 H ALA A 55 22.074 -12.619 -23.471 1.00 4.51 H new ATOM 0 HA ALA A 55 20.257 -13.310 -21.243 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.224 -15.621 -22.123 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.501 -14.468 -23.270 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.148 -15.084 -23.547 1.00 40.42 H new ATOM 851 N ILE A 56 22.087 -14.426 -19.969 1.00 34.40 N ATOM 852 CA ILE A 56 23.208 -14.868 -19.148 1.00 21.40 C ATOM 853 C ILE A 56 22.823 -16.070 -18.292 1.00 72.24 C ATOM 854 O ILE A 56 21.888 -16.003 -17.494 1.00 72.43 O ATOM 855 CB ILE A 56 23.712 -13.739 -18.230 1.00 50.33 C ATOM 856 CG1 ILE A 56 24.132 -12.525 -19.062 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.871 -14.228 -17.376 1.00 41.55 C ATOM 858 CD1 ILE A 56 25.267 -12.812 -20.019 1.00 74.44 C ATOM 0 H ILE A 56 21.188 -14.423 -19.488 1.00 34.40 H new ATOM 0 HA ILE A 56 24.007 -15.154 -19.832 1.00 21.40 H new ATOM 0 HB ILE A 56 22.900 -13.439 -17.568 1.00 50.33 H new ATOM 0 HG12 ILE A 56 23.272 -12.168 -19.628 1.00 71.52 H new ATOM 0 HG13 ILE A 56 24.429 -11.719 -18.390 1.00 71.52 H new ATOM 0 HG21 ILE A 56 25.216 -13.418 -16.733 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.542 -15.065 -16.761 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.688 -14.551 -18.022 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.512 -11.907 -20.575 1.00 74.44 H new ATOM 0 HD12 ILE A 56 26.142 -13.141 -19.458 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.967 -13.596 -20.715 1.00 74.44 H new ATOM 870 N LEU A 57 23.551 -17.168 -18.463 1.00 23.15 N ATOM 871 CA LEU A 57 23.287 -18.386 -17.704 1.00 22.42 C ATOM 872 C LEU A 57 24.559 -19.214 -17.544 1.00 52.54 C ATOM 873 O LEU A 57 25.334 -19.368 -18.488 1.00 60.35 O ATOM 874 CB LEU A 57 22.208 -19.219 -18.399 1.00 74.01 C ATOM 875 CG LEU A 57 22.067 -19.013 -19.907 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.548 -20.279 -20.572 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.148 -17.837 -20.203 1.00 20.50 C ATOM 0 H LEU A 57 24.328 -17.240 -19.120 1.00 23.15 H new ATOM 0 HA LEU A 57 22.935 -18.099 -16.713 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.416 -20.273 -18.215 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.249 -18.997 -17.931 1.00 74.01 H new ATOM 0 HG LEU A 57 23.052 -18.789 -20.317 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.454 -20.114 -21.645 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.245 -21.097 -20.391 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.573 -20.534 -20.157 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.060 -17.706 -21.282 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.162 -18.030 -19.779 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.562 -16.931 -19.760 1.00 20.50 H new ATOM 889 N ASP A 58 24.766 -19.744 -16.344 1.00 34.22 N ATOM 890 CA ASP A 58 25.942 -20.558 -16.060 1.00 0.11 C ATOM 891 C ASP A 58 25.815 -21.937 -16.699 1.00 63.43 C ATOM 892 O ASP A 58 25.130 -22.815 -16.174 1.00 41.24 O ATOM 893 CB ASP A 58 26.139 -20.698 -14.550 1.00 24.31 C ATOM 894 CG ASP A 58 26.881 -19.519 -13.951 1.00 42.33 C ATOM 895 OD1 ASP A 58 27.069 -18.512 -14.664 1.00 2.41 O ATOM 896 OD2 ASP A 58 27.273 -19.606 -12.768 1.00 22.34 O1- ATOM 0 H ASP A 58 24.135 -19.625 -15.552 1.00 34.22 H new ATOM 0 HA ASP A 58 26.811 -20.058 -16.487 1.00 0.11 H new ATOM 0 HB2 ASP A 58 25.167 -20.795 -14.067 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.691 -21.615 -14.342 1.00 24.31 H new ATOM 901 N LEU A 59 26.477 -22.120 -17.836 1.00 33.22 N ATOM 902 CA LEU A 59 26.438 -23.392 -18.549 1.00 60.20 C ATOM 903 C LEU A 59 27.773 -24.120 -18.437 1.00 1.03 C ATOM 904 O LEU A 59 28.831 -23.509 -18.279 1.00 70.11 O ATOM 905 CB LEU A 59 26.091 -23.164 -20.021 1.00 32.04 C ATOM 906 CG LEU A 59 24.951 -22.183 -20.298 1.00 60.02 C ATOM 907 CD1 LEU A 59 24.990 -21.714 -21.745 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.608 -22.822 -19.979 1.00 1.32 C ATOM 0 H LEU A 59 27.048 -21.403 -18.284 1.00 33.22 H new ATOM 0 HA LEU A 59 25.667 -24.012 -18.092 1.00 60.20 H new ATOM 0 HB2 LEU A 59 26.984 -22.806 -20.533 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.833 -24.125 -20.466 1.00 32.04 H new ATOM 0 HG LEU A 59 25.080 -21.314 -19.652 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.172 -21.017 -21.924 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.940 -21.216 -21.941 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.887 -22.572 -22.409 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.809 -22.109 -20.182 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.470 -23.708 -20.599 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.581 -23.107 -18.927 1.00 1.32 H new ATOM 920 N PRO A 60 27.727 -25.458 -18.521 1.00 53.42 N ATOM 921 CA PRO A 60 28.924 -26.299 -18.434 1.00 72.32 C ATOM 922 C PRO A 60 29.824 -26.155 -19.657 1.00 43.23 C ATOM 923 O PRO A 60 29.341 -25.987 -20.776 1.00 43.11 O ATOM 924 CB PRO A 60 28.357 -27.718 -18.351 1.00 45.22 C ATOM 925 CG PRO A 60 27.022 -27.631 -19.009 1.00 34.34 C ATOM 926 CD PRO A 60 26.502 -26.253 -18.709 1.00 31.23 C ATOM 0 HA PRO A 60 29.552 -26.027 -17.586 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.003 -28.433 -18.860 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.268 -28.049 -17.316 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.106 -27.791 -20.084 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.347 -28.395 -18.624 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.894 -25.866 -19.527 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.877 -26.245 -17.816 1.00 31.23 H new ATOM 934 N GLU A 61 31.132 -26.223 -19.435 1.00 34.34 N ATOM 935 CA GLU A 61 32.098 -26.100 -20.520 1.00 51.40 C ATOM 936 C GLU A 61 31.857 -27.165 -21.587 1.00 71.00 C ATOM 937 O GLU A 61 32.032 -28.357 -21.340 1.00 52.22 O ATOM 938 CB GLU A 61 33.525 -26.219 -19.980 1.00 14.52 C ATOM 939 CG GLU A 61 34.585 -26.274 -21.066 1.00 12.24 C ATOM 940 CD GLU A 61 35.055 -27.688 -21.351 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.158 -28.482 -20.393 1.00 62.21 O ATOM 942 OE2 GLU A 61 35.318 -28.000 -22.531 1.00 14.15 O1- ATOM 0 H GLU A 61 31.547 -26.363 -18.514 1.00 34.34 H new ATOM 0 HA GLU A 61 31.970 -25.118 -20.975 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.729 -25.370 -19.328 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.598 -27.117 -19.367 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.186 -25.836 -21.981 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.438 -25.665 -20.767 1.00 12.24 H new ATOM 949 N GLY A 62 31.453 -26.723 -22.774 1.00 75.14 N ATOM 950 CA GLY A 62 31.192 -27.650 -23.861 1.00 3.44 C ATOM 951 C GLY A 62 30.495 -26.988 -25.032 1.00 3.40 C ATOM 952 O GLY A 62 30.875 -25.896 -25.453 1.00 30.13 O ATOM 0 H GLY A 62 31.302 -25.741 -23.003 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.134 -28.082 -24.200 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.578 -28.472 -23.494 1.00 3.44 H new ATOM 956 N GLU A 63 29.471 -27.651 -25.561 1.00 44.04 N ATOM 957 CA GLU A 63 28.720 -27.121 -26.693 1.00 31.31 C ATOM 958 C GLU A 63 27.227 -27.388 -26.529 1.00 34.40 C ATOM 959 O GLU A 63 26.852 -28.494 -26.142 1.00 55.14 O ATOM 960 CB GLU A 63 29.221 -27.740 -28.000 1.00 71.45 C ATOM 961 CG GLU A 63 28.374 -27.378 -29.208 1.00 41.01 C ATOM 962 CD GLU A 63 28.831 -28.080 -30.473 1.00 64.35 C ATOM 963 OE1 GLU A 63 29.468 -29.148 -30.360 1.00 13.32 O ATOM 964 OE2 GLU A 63 28.551 -27.561 -31.573 1.00 63.41 O1- ATOM 0 H GLU A 63 29.143 -28.556 -25.224 1.00 44.04 H new ATOM 0 HA GLU A 63 28.876 -26.043 -26.727 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.247 -27.416 -28.176 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.243 -28.825 -27.894 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.334 -27.637 -29.009 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.410 -26.300 -29.362 1.00 41.01 H new ATOM 971 N HIS A 64 26.417 -26.381 -26.825 1.00 11.42 N ATOM 972 CA HIS A 64 24.976 -26.521 -26.705 1.00 43.11 C ATOM 973 C HIS A 64 24.289 -25.705 -27.802 1.00 20.11 C ATOM 974 O HIS A 64 24.887 -24.839 -28.441 1.00 22.41 O ATOM 975 CB HIS A 64 24.508 -26.140 -25.300 1.00 0.52 C ATOM 976 CG HIS A 64 25.632 -25.914 -24.318 1.00 30.40 C ATOM 977 ND1 HIS A 64 25.963 -26.829 -23.333 1.00 23.24 N ATOM 978 CD2 HIS A 64 26.498 -24.869 -24.180 1.00 51.01 C ATOM 979 CE1 HIS A 64 26.982 -26.346 -22.639 1.00 5.41 C ATOM 980 NE2 HIS A 64 27.313 -25.132 -23.165 1.00 33.03 N ATOM 0 H HIS A 64 26.732 -25.466 -27.147 1.00 11.42 H new ATOM 0 HA HIS A 64 24.695 -27.565 -26.847 1.00 43.11 H new ATOM 0 HB2 HIS A 64 23.906 -25.233 -25.362 1.00 0.52 H new ATOM 0 HB3 HIS A 64 23.859 -26.928 -24.918 1.00 0.52 H new ATOM 0 HD2 HIS A 64 26.517 -23.979 -24.792 1.00 51.01 H new ATOM 0 HE1 HIS A 64 27.466 -26.829 -21.803 1.00 5.41 H new ATOM 0 HE2 HIS A 64 28.063 -24.526 -22.833 1.00 33.03 H new ATOM 988 N GLN A 65 23.011 -26.003 -28.007 1.00 1.42 N ATOM 989 CA GLN A 65 22.219 -25.314 -29.018 1.00 75.43 C ATOM 990 C GLN A 65 21.030 -24.599 -28.385 1.00 40.13 C ATOM 991 O GLN A 65 20.254 -25.202 -27.643 1.00 52.02 O ATOM 992 CB GLN A 65 21.729 -26.305 -30.076 1.00 73.02 C ATOM 993 CG GLN A 65 22.705 -26.500 -31.224 1.00 71.31 C ATOM 994 CD GLN A 65 23.018 -27.961 -31.481 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.390 -28.604 -32.323 1.00 5.51 O ATOM 996 NE2 GLN A 65 23.994 -28.493 -30.757 1.00 53.03 N ATOM 0 H GLN A 65 22.502 -26.717 -27.486 1.00 1.42 H new ATOM 0 HA GLN A 65 22.855 -24.569 -29.495 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.542 -27.268 -29.601 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.776 -25.956 -30.475 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.289 -26.057 -32.129 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.630 -25.967 -31.004 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.488 -27.923 -30.070 1.00 53.03 H new ATOM 0 HE22 GLN A 65 24.250 -29.472 -30.887 1.00 53.03 H new ATOM 1005 N TYR A 66 20.892 -23.312 -28.682 1.00 4.15 N ATOM 1006 CA TYR A 66 19.799 -22.514 -28.139 1.00 72.34 C ATOM 1007 C TYR A 66 18.972 -21.890 -29.258 1.00 74.34 C ATOM 1008 O TYR A 66 19.335 -21.965 -30.431 1.00 1.32 O ATOM 1009 CB TYR A 66 20.346 -21.419 -27.221 1.00 10.24 C ATOM 1010 CG TYR A 66 21.152 -20.366 -27.948 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.489 -20.581 -28.262 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.577 -19.159 -28.323 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.229 -19.621 -28.926 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.309 -18.195 -28.988 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.635 -18.430 -29.287 1.00 22.23 C ATOM 1016 OH TYR A 66 23.368 -17.472 -29.949 1.00 12.33 O ATOM 0 H TYR A 66 21.524 -22.798 -29.296 1.00 4.15 H new ATOM 0 HA TYR A 66 19.153 -23.174 -27.560 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.514 -20.937 -26.708 1.00 10.24 H new ATOM 0 HB3 TYR A 66 20.971 -21.878 -26.454 1.00 10.24 H new ATOM 0 HD1 TYR A 66 22.957 -21.513 -27.983 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.539 -18.971 -28.091 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.267 -19.803 -29.161 1.00 2.40 H new ATOM 0 HE2 TYR A 66 20.846 -17.262 -29.273 1.00 71.43 H new ATOM 0 HH TYR A 66 22.868 -17.160 -30.732 1.00 12.33 H new ATOM 1026 N LYS A 67 17.857 -21.270 -28.886 1.00 53.20 N ATOM 1027 CA LYS A 67 16.976 -20.630 -29.855 1.00 62.12 C ATOM 1028 C LYS A 67 16.302 -19.403 -29.250 1.00 21.43 C ATOM 1029 O LYS A 67 15.970 -19.386 -28.064 1.00 63.05 O ATOM 1030 CB LYS A 67 15.916 -21.619 -30.344 1.00 52.15 C ATOM 1031 CG LYS A 67 15.057 -21.081 -31.475 1.00 4.31 C ATOM 1032 CD LYS A 67 15.800 -21.111 -32.801 1.00 75.43 C ATOM 1033 CE LYS A 67 14.957 -20.527 -33.924 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.886 -21.466 -34.360 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.542 -21.197 -27.919 1.00 53.20 H new ATOM 0 HA LYS A 67 17.582 -20.309 -30.702 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.409 -22.532 -30.677 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.272 -21.891 -29.508 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.145 -21.673 -31.554 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.755 -20.058 -31.249 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.729 -20.548 -32.712 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.071 -22.138 -33.044 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.507 -19.592 -33.591 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.598 -20.288 -34.773 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.214 -20.964 -34.975 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.311 -22.257 -34.885 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.385 -21.833 -33.526 1.00 33.33 H new ATOM 1048 N PHE A 68 16.101 -18.378 -30.071 1.00 0.13 N ATOM 1049 CA PHE A 68 15.465 -17.147 -29.617 1.00 34.41 C ATOM 1050 C PHE A 68 13.953 -17.210 -29.819 1.00 74.51 C ATOM 1051 O PHE A 68 13.467 -17.829 -30.764 1.00 43.04 O ATOM 1052 CB PHE A 68 16.042 -15.943 -30.366 1.00 21.54 C ATOM 1053 CG PHE A 68 17.406 -15.538 -29.888 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.677 -15.431 -28.533 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.419 -15.263 -30.793 1.00 24.44 C ATOM 1056 CE1 PHE A 68 18.932 -15.058 -28.089 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.675 -14.889 -30.356 1.00 64.40 C ATOM 1058 CZ PHE A 68 19.932 -14.787 -29.002 1.00 60.24 C ATOM 0 H PHE A 68 16.370 -18.375 -31.055 1.00 0.13 H new ATOM 0 HA PHE A 68 15.667 -17.034 -28.552 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.093 -16.177 -31.429 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.362 -15.098 -30.258 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.898 -15.642 -27.815 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.224 -15.342 -31.852 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.130 -14.979 -27.030 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.455 -14.677 -31.072 1.00 64.40 H new ATOM 0 HZ PHE A 68 20.914 -14.496 -28.658 1.00 60.24 H new ATOM 1068 N PHE A 69 13.217 -16.563 -28.922 1.00 64.40 N ATOM 1069 CA PHE A 69 11.760 -16.545 -28.999 1.00 63.41 C ATOM 1070 C PHE A 69 11.226 -15.123 -28.861 1.00 34.32 C ATOM 1071 O PHE A 69 11.039 -14.623 -27.751 1.00 62.44 O ATOM 1072 CB PHE A 69 11.160 -17.435 -27.910 1.00 5.13 C ATOM 1073 CG PHE A 69 9.659 -17.496 -27.943 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.006 -18.338 -28.829 1.00 42.11 C ATOM 1075 CD2 PHE A 69 8.902 -16.711 -27.089 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.626 -18.394 -28.863 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.521 -16.763 -27.118 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.882 -17.606 -28.006 1.00 3.22 C ATOM 0 H PHE A 69 13.604 -16.044 -28.134 1.00 64.40 H new ATOM 0 HA PHE A 69 11.468 -16.931 -29.976 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.559 -18.444 -28.016 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.479 -17.067 -26.935 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.582 -18.957 -29.500 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.397 -16.050 -26.392 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.129 -19.053 -29.559 1.00 52.12 H new ATOM 0 HE2 PHE A 69 6.942 -16.145 -26.447 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.803 -17.649 -28.030 1.00 3.22 H new ATOM 1088 N VAL A 70 10.980 -14.477 -29.996 1.00 51.23 N ATOM 1089 CA VAL A 70 10.467 -13.112 -30.003 1.00 53.12 C ATOM 1090 C VAL A 70 9.173 -13.016 -30.805 1.00 13.23 C ATOM 1091 O VAL A 70 8.960 -13.773 -31.752 1.00 23.10 O ATOM 1092 CB VAL A 70 11.496 -12.128 -30.590 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.029 -10.692 -30.403 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.860 -12.340 -29.951 1.00 41.35 C ATOM 0 H VAL A 70 11.128 -14.877 -30.923 1.00 51.23 H new ATOM 0 HA VAL A 70 10.270 -12.843 -28.965 1.00 53.12 H new ATOM 0 HB VAL A 70 11.587 -12.319 -31.659 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.769 -10.011 -30.824 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.075 -10.551 -30.911 1.00 23.12 H new ATOM 0 HG13 VAL A 70 10.908 -10.484 -29.340 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.575 -11.636 -30.378 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.787 -12.177 -28.876 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.196 -13.359 -30.141 1.00 41.35 H new ATOM 1104 N ASP A 71 8.313 -12.080 -30.421 1.00 3.15 N ATOM 1105 CA ASP A 71 7.041 -11.882 -31.104 1.00 54.03 C ATOM 1106 C ASP A 71 6.175 -13.135 -31.013 1.00 20.14 C ATOM 1107 O ASP A 71 5.435 -13.459 -31.941 1.00 62.44 O ATOM 1108 CB ASP A 71 7.277 -11.516 -32.571 1.00 64.34 C ATOM 1109 CG ASP A 71 8.329 -10.436 -32.735 1.00 14.24 C ATOM 1110 OD1 ASP A 71 8.063 -9.283 -32.334 1.00 63.53 O ATOM 1111 OD2 ASP A 71 9.416 -10.744 -33.265 1.00 51.33 O1- ATOM 0 H ASP A 71 8.474 -11.445 -29.639 1.00 3.15 H new ATOM 0 HA ASP A 71 6.516 -11.062 -30.613 1.00 54.03 H new ATOM 0 HB2 ASP A 71 7.585 -12.406 -33.120 1.00 64.34 H new ATOM 0 HB3 ASP A 71 6.340 -11.177 -33.013 1.00 64.34 H new ATOM 1116 N GLY A 72 6.275 -13.837 -29.889 1.00 2.30 N ATOM 1117 CA GLY A 72 5.497 -15.047 -29.698 1.00 30.24 C ATOM 1118 C GLY A 72 5.865 -16.135 -30.687 1.00 72.25 C ATOM 1119 O GLY A 72 5.061 -17.023 -30.971 1.00 21.11 O ATOM 0 H GLY A 72 6.881 -13.589 -29.107 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.648 -15.416 -28.684 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.437 -14.813 -29.797 1.00 30.24 H new ATOM 1123 N GLN A 73 7.084 -16.067 -31.213 1.00 45.23 N ATOM 1124 CA GLN A 73 7.556 -17.054 -32.177 1.00 20.11 C ATOM 1125 C GLN A 73 9.059 -17.274 -32.040 1.00 25.04 C ATOM 1126 O GLN A 73 9.789 -16.383 -31.606 1.00 32.35 O ATOM 1127 CB GLN A 73 7.223 -16.606 -33.601 1.00 33.33 C ATOM 1128 CG GLN A 73 7.981 -15.365 -34.042 1.00 51.12 C ATOM 1129 CD GLN A 73 7.865 -15.108 -35.532 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.193 -14.171 -35.961 1.00 52.31 O ATOM 1131 NE2 GLN A 73 8.524 -15.941 -36.329 1.00 32.52 N ATOM 0 H GLN A 73 7.762 -15.339 -30.988 1.00 45.23 H new ATOM 0 HA GLN A 73 7.049 -17.997 -31.971 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.445 -17.421 -34.290 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.153 -16.412 -33.671 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.602 -14.500 -33.498 1.00 51.12 H new ATOM 0 HG3 GLN A 73 9.033 -15.473 -33.777 1.00 51.12 H new ATOM 0 HE21 GLN A 73 9.069 -16.705 -35.930 1.00 32.52 H new ATOM 0 HE22 GLN A 73 8.485 -15.817 -37.341 1.00 32.52 H new ATOM 1140 N TRP A 74 9.513 -18.465 -32.412 1.00 23.22 N ATOM 1141 CA TRP A 74 10.930 -18.803 -32.330 1.00 12.20 C ATOM 1142 C TRP A 74 11.686 -18.280 -33.546 1.00 60.11 C ATOM 1143 O TRP A 74 11.464 -18.735 -34.668 1.00 24.22 O ATOM 1144 CB TRP A 74 11.109 -20.317 -32.214 1.00 50.12 C ATOM 1145 CG TRP A 74 10.610 -20.877 -30.917 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.397 -21.459 -30.687 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.314 -20.907 -29.670 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.303 -21.848 -29.372 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.467 -21.521 -28.728 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.578 -20.476 -29.258 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.843 -21.713 -27.401 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 12.951 -20.666 -27.941 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.086 -21.282 -27.025 1.00 52.42 C ATOM 0 H TRP A 74 8.921 -19.213 -32.773 1.00 23.22 H new ATOM 0 HA TRP A 74 11.340 -18.327 -31.439 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.583 -20.802 -33.037 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.166 -20.560 -32.324 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.624 -21.594 -31.429 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.498 -22.306 -28.945 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.252 -20.003 -29.957 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.177 -22.185 -26.694 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.925 -20.335 -27.612 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.407 -21.419 -26.003 1.00 52.42 H new ATOM 1164 N VAL A 75 12.578 -17.322 -33.316 1.00 42.22 N ATOM 1165 CA VAL A 75 13.367 -16.739 -34.395 1.00 53.15 C ATOM 1166 C VAL A 75 14.859 -16.953 -34.162 1.00 42.43 C ATOM 1167 O VAL A 75 15.267 -17.468 -33.121 1.00 15.11 O ATOM 1168 CB VAL A 75 13.093 -15.230 -34.538 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.615 -14.978 -34.794 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.563 -14.483 -33.299 1.00 33.52 C ATOM 0 H VAL A 75 12.772 -16.933 -32.393 1.00 42.22 H new ATOM 0 HA VAL A 75 13.069 -17.244 -35.314 1.00 53.15 H new ATOM 0 HB VAL A 75 13.655 -14.856 -35.394 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.440 -13.907 -34.892 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.314 -15.481 -35.713 1.00 25.31 H new ATOM 0 HG13 VAL A 75 11.030 -15.366 -33.960 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.361 -13.418 -33.418 1.00 33.52 H new ATOM 0 HG22 VAL A 75 13.031 -14.858 -32.425 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.634 -14.637 -33.166 1.00 33.52 H new ATOM 1180 N HIS A 76 15.668 -16.553 -35.138 1.00 54.12 N ATOM 1181 CA HIS A 76 17.116 -16.700 -35.039 1.00 10.02 C ATOM 1182 C HIS A 76 17.828 -15.655 -35.893 1.00 43.22 C ATOM 1183 O HIS A 76 17.241 -15.089 -36.815 1.00 33.44 O ATOM 1184 CB HIS A 76 17.537 -18.105 -35.474 1.00 62.13 C ATOM 1185 CG HIS A 76 17.408 -18.339 -36.947 1.00 63.23 C ATOM 1186 ND1 HIS A 76 16.424 -19.134 -37.499 1.00 33.14 N ATOM 1187 CD2 HIS A 76 18.143 -17.878 -37.985 1.00 1.42 C ATOM 1188 CE1 HIS A 76 16.561 -19.153 -38.812 1.00 52.22 C ATOM 1189 NE2 HIS A 76 17.596 -18.397 -39.134 1.00 14.42 N ATOM 0 H HIS A 76 15.346 -16.125 -36.006 1.00 54.12 H new ATOM 0 HA HIS A 76 17.402 -16.548 -33.998 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.572 -18.274 -35.177 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.930 -18.838 -34.943 1.00 62.13 H new ATOM 0 HD2 HIS A 76 19.000 -17.224 -37.922 1.00 1.42 H new ATOM 0 HE1 HIS A 76 15.934 -19.694 -39.505 1.00 52.22 H new ATOM 0 HE2 HIS A 76 17.934 -18.226 -40.081 1.00 14.42 H new ATOM 1197 N ASP A 77 19.094 -15.405 -35.579 1.00 61.11 N ATOM 1198 CA ASP A 77 19.886 -14.428 -36.317 1.00 41.41 C ATOM 1199 C ASP A 77 20.754 -15.114 -37.367 1.00 24.02 C ATOM 1200 O ASP A 77 21.413 -16.119 -37.102 1.00 23.04 O ATOM 1201 CB ASP A 77 20.764 -13.622 -35.357 1.00 44.44 C ATOM 1202 CG ASP A 77 20.993 -12.202 -35.837 1.00 1.12 C ATOM 1203 OD1 ASP A 77 21.827 -12.010 -36.747 1.00 34.33 O ATOM 1204 OD2 ASP A 77 20.338 -11.283 -35.304 1.00 10.11 O1- ATOM 0 H ASP A 77 19.594 -15.865 -34.818 1.00 61.11 H new ATOM 0 HA ASP A 77 19.201 -13.750 -36.826 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.296 -13.599 -34.373 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.725 -14.123 -35.241 1.00 44.44 H new ATOM 1209 N PRO A 78 20.756 -14.559 -38.587 1.00 15.43 N ATOM 1210 CA PRO A 78 21.539 -15.102 -39.702 1.00 4.43 C ATOM 1211 C PRO A 78 23.039 -14.909 -39.506 1.00 61.31 C ATOM 1212 O PRO A 78 23.847 -15.668 -40.039 1.00 23.50 O ATOM 1213 CB PRO A 78 21.050 -14.293 -40.906 1.00 61.03 C ATOM 1214 CG PRO A 78 20.553 -13.013 -40.326 1.00 70.11 C ATOM 1215 CD PRO A 78 19.995 -13.359 -38.974 1.00 31.15 C ATOM 0 HA PRO A 78 21.402 -16.178 -39.809 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.856 -14.118 -41.619 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.259 -14.819 -41.441 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.359 -12.285 -40.240 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.788 -12.568 -40.962 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.136 -12.547 -38.261 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.925 -13.560 -39.021 1.00 31.15 H new ATOM 1223 N SER A 79 23.403 -13.889 -38.736 1.00 34.01 N ATOM 1224 CA SER A 79 24.807 -13.595 -38.471 1.00 21.01 C ATOM 1225 C SER A 79 25.394 -14.595 -37.479 1.00 1.21 C ATOM 1226 O SER A 79 26.594 -14.871 -37.497 1.00 44.53 O ATOM 1227 CB SER A 79 24.958 -12.173 -37.927 1.00 32.35 C ATOM 1228 OG SER A 79 25.129 -11.240 -38.980 1.00 23.51 O ATOM 0 H SER A 79 22.746 -13.252 -38.285 1.00 34.01 H new ATOM 0 HA SER A 79 25.353 -13.678 -39.411 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.077 -11.909 -37.342 1.00 32.35 H new ATOM 0 HB3 SER A 79 25.814 -12.127 -37.253 1.00 32.35 H new ATOM 0 HG SER A 79 25.221 -10.339 -38.607 1.00 23.51 H new ATOM 1234 N GLU A 80 24.539 -15.136 -36.617 1.00 41.40 N ATOM 1235 CA GLU A 80 24.973 -16.104 -35.617 1.00 72.34 C ATOM 1236 C GLU A 80 25.084 -17.500 -36.225 1.00 21.05 C ATOM 1237 O GLU A 80 24.508 -17.796 -37.272 1.00 74.53 O ATOM 1238 CB GLU A 80 23.998 -16.126 -34.438 1.00 2.30 C ATOM 1239 CG GLU A 80 24.377 -15.174 -33.317 1.00 10.13 C ATOM 1240 CD GLU A 80 23.446 -15.275 -32.125 1.00 3.42 C ATOM 1241 OE1 GLU A 80 22.541 -16.136 -32.149 1.00 21.22 O1- ATOM 1242 OE2 GLU A 80 23.621 -14.493 -31.168 1.00 15.10 O ATOM 0 H GLU A 80 23.542 -14.920 -36.591 1.00 41.40 H new ATOM 0 HA GLU A 80 25.957 -15.802 -35.259 1.00 72.34 H new ATOM 0 HB2 GLU A 80 23.001 -15.872 -34.797 1.00 2.30 H new ATOM 0 HB3 GLU A 80 23.945 -17.139 -34.040 1.00 2.30 H new ATOM 0 HG2 GLU A 80 25.397 -15.385 -32.995 1.00 10.13 H new ATOM 0 HG3 GLU A 80 24.367 -14.152 -33.695 1.00 10.13 H new ATOM 1249 N PRO A 81 25.844 -18.378 -35.554 1.00 13.13 N ATOM 1250 CA PRO A 81 26.049 -19.756 -36.008 1.00 34.44 C ATOM 1251 C PRO A 81 24.788 -20.603 -35.883 1.00 52.34 C ATOM 1252 O PRO A 81 24.601 -21.315 -34.895 1.00 32.21 O ATOM 1253 CB PRO A 81 27.140 -20.281 -35.070 1.00 71.33 C ATOM 1254 CG PRO A 81 27.011 -19.452 -33.839 1.00 70.53 C ATOM 1255 CD PRO A 81 26.560 -18.093 -34.299 1.00 61.31 C ATOM 0 HA PRO A 81 26.317 -19.800 -37.064 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.999 -21.339 -34.851 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.129 -20.177 -35.516 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.290 -19.889 -33.148 1.00 70.53 H new ATOM 0 HG3 PRO A 81 27.962 -19.389 -33.310 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.911 -17.615 -33.565 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.404 -17.423 -34.461 1.00 61.31 H new ATOM 1263 N VAL A 82 23.923 -20.522 -36.889 1.00 53.33 N ATOM 1264 CA VAL A 82 22.678 -21.281 -36.891 1.00 75.02 C ATOM 1265 C VAL A 82 22.820 -22.565 -37.701 1.00 72.11 C ATOM 1266 O VAL A 82 23.668 -22.661 -38.588 1.00 30.20 O ATOM 1267 CB VAL A 82 21.515 -20.451 -37.465 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.270 -19.215 -36.612 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.796 -20.065 -38.909 1.00 55.33 C ATOM 0 H VAL A 82 24.062 -19.938 -37.714 1.00 53.33 H new ATOM 0 HA VAL A 82 22.458 -21.531 -35.853 1.00 75.02 H new ATOM 0 HB VAL A 82 20.612 -21.062 -37.446 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.445 -18.640 -37.033 1.00 54.42 H new ATOM 0 HG12 VAL A 82 21.020 -19.518 -35.595 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.170 -18.600 -36.596 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.963 -19.479 -39.298 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.710 -19.473 -38.956 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.917 -20.966 -39.510 1.00 55.33 H new ATOM 1279 N VAL A 83 21.983 -23.550 -37.392 1.00 45.51 N ATOM 1280 CA VAL A 83 22.013 -24.828 -38.092 1.00 23.24 C ATOM 1281 C VAL A 83 20.628 -25.463 -38.136 1.00 60.32 C ATOM 1282 O VAL A 83 19.867 -25.388 -37.171 1.00 51.55 O ATOM 1283 CB VAL A 83 22.995 -25.810 -37.425 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.534 -26.154 -36.018 1.00 32.22 C ATOM 1285 CG2 VAL A 83 23.144 -27.067 -38.269 1.00 63.11 C ATOM 0 H VAL A 83 21.275 -23.487 -36.660 1.00 45.51 H new ATOM 0 HA VAL A 83 22.349 -24.624 -39.109 1.00 23.24 H new ATOM 0 HB VAL A 83 23.971 -25.329 -37.353 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.240 -26.849 -35.563 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.483 -25.245 -35.419 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.548 -26.616 -36.061 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.841 -27.750 -37.784 1.00 63.11 H new ATOM 0 HG22 VAL A 83 22.174 -27.552 -38.374 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.524 -26.800 -39.255 1.00 63.11 H new ATOM 1377 N ILE A 90 15.521 -24.415 -37.698 1.00 10.10 N ATOM 1378 CA ILE A 90 16.791 -23.719 -37.528 1.00 62.35 C ATOM 1379 C ILE A 90 17.009 -23.320 -36.073 1.00 75.12 C ATOM 1380 O ILE A 90 16.097 -22.826 -35.411 1.00 35.51 O ATOM 1381 CB ILE A 90 16.865 -22.459 -38.411 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.519 -22.806 -39.861 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.248 -21.834 -38.327 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.528 -23.719 -40.522 1.00 52.12 C ATOM 0 HA ILE A 90 17.574 -24.413 -37.833 1.00 62.35 H new ATOM 0 HB ILE A 90 16.137 -21.734 -38.046 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.539 -23.282 -39.888 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.442 -21.884 -40.438 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.284 -20.945 -38.956 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.460 -21.557 -37.294 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.993 -22.552 -38.670 1.00 75.22 H new ATOM 0 HD11 ILE A 90 17.218 -23.922 -41.547 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.506 -23.237 -40.527 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.588 -24.656 -39.969 1.00 52.12 H new ATOM 1396 N ASN A 91 18.224 -23.535 -35.582 1.00 74.31 N ATOM 1397 CA ASN A 91 18.564 -23.196 -34.205 1.00 40.23 C ATOM 1398 C ASN A 91 19.991 -22.667 -34.110 1.00 12.32 C ATOM 1399 O ASN A 91 20.823 -22.938 -34.976 1.00 61.32 O ATOM 1400 CB ASN A 91 18.400 -24.420 -33.301 1.00 75.11 C ATOM 1401 CG ASN A 91 19.009 -25.669 -33.905 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.529 -26.180 -34.918 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.071 -26.170 -33.285 1.00 13.21 N ATOM 0 H ASN A 91 18.991 -23.943 -36.117 1.00 74.31 H new ATOM 0 HA ASN A 91 17.883 -22.413 -33.872 1.00 40.23 H new ATOM 0 HB2 ASN A 91 18.867 -24.221 -32.336 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.340 -24.590 -33.113 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.522 -27.011 -33.645 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.435 -25.714 -32.448 1.00 13.21 H new ATOM 1410 N ASN A 92 20.269 -21.912 -33.052 1.00 4.32 N ATOM 1411 CA ASN A 92 21.597 -21.345 -32.843 1.00 54.51 C ATOM 1412 C ASN A 92 22.544 -22.384 -32.251 1.00 33.33 C ATOM 1413 O ASN A 92 22.114 -23.443 -31.793 1.00 14.13 O ATOM 1414 CB ASN A 92 21.515 -20.128 -31.921 1.00 61.45 C ATOM 1415 CG ASN A 92 20.740 -18.982 -32.544 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.582 -18.745 -32.202 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.378 -18.266 -33.461 1.00 23.44 N ATOM 0 H ASN A 92 19.592 -21.678 -32.326 1.00 4.32 H new ATOM 0 HA ASN A 92 21.989 -21.032 -33.811 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.040 -20.417 -30.984 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.523 -19.792 -31.677 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.908 -17.482 -33.914 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.338 -18.499 -33.713 1.00 23.44 H new ATOM 1424 N LEU A 93 23.835 -22.073 -32.262 1.00 32.05 N ATOM 1425 CA LEU A 93 24.846 -22.979 -31.725 1.00 34.14 C ATOM 1426 C LEU A 93 25.866 -22.218 -30.884 1.00 2.14 C ATOM 1427 O LEU A 93 26.503 -21.279 -31.362 1.00 5.21 O ATOM 1428 CB LEU A 93 25.553 -23.716 -32.862 1.00 74.14 C ATOM 1429 CG LEU A 93 25.672 -25.233 -32.707 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.488 -25.824 -33.847 1.00 3.13 C ATOM 1431 CD2 LEU A 93 26.295 -25.585 -31.364 1.00 72.43 C ATOM 0 H LEU A 93 24.207 -21.200 -32.637 1.00 32.05 H new ATOM 0 HA LEU A 93 24.345 -23.706 -31.086 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.021 -23.506 -33.790 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.556 -23.302 -32.969 1.00 74.14 H new ATOM 0 HG LEU A 93 24.671 -25.662 -32.744 1.00 42.32 H new ATOM 0 HD11 LEU A 93 26.562 -26.904 -33.720 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.000 -25.603 -34.796 1.00 3.13 H new ATOM 0 HD13 LEU A 93 27.487 -25.389 -33.843 1.00 3.13 H new ATOM 0 HD21 LEU A 93 26.372 -26.668 -31.271 1.00 72.43 H new ATOM 0 HD22 LEU A 93 27.289 -25.144 -31.297 1.00 72.43 H new ATOM 0 HD23 LEU A 93 25.671 -25.195 -30.560 1.00 72.43 H new ATOM 1443 N ILE A 94 26.018 -22.632 -29.630 1.00 14.30 N ATOM 1444 CA ILE A 94 26.963 -21.993 -28.725 1.00 21.03 C ATOM 1445 C ILE A 94 28.009 -22.986 -28.229 1.00 2.32 C ATOM 1446 O ILE A 94 27.715 -24.165 -28.030 1.00 25.24 O ATOM 1447 CB ILE A 94 26.247 -21.371 -27.510 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.258 -20.678 -26.594 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.477 -22.438 -26.747 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.764 -19.362 -26.034 1.00 45.44 C ATOM 0 H ILE A 94 25.498 -23.407 -29.219 1.00 14.30 H new ATOM 0 HA ILE A 94 27.455 -21.203 -29.292 1.00 21.03 H new ATOM 0 HB ILE A 94 25.538 -20.624 -27.867 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.505 -21.345 -25.768 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.180 -20.504 -27.149 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.977 -21.984 -25.892 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.734 -22.890 -27.404 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.168 -23.205 -26.398 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.532 -18.928 -25.394 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.544 -18.677 -26.853 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.859 -19.532 -25.451 1.00 45.44 H new ATOM 1462 N HIS A 95 29.231 -22.501 -28.033 1.00 34.15 N ATOM 1463 CA HIS A 95 30.321 -23.347 -27.558 1.00 64.32 C ATOM 1464 C HIS A 95 31.059 -22.683 -26.400 1.00 64.02 C ATOM 1465 O HIS A 95 31.868 -21.777 -26.604 1.00 35.41 O ATOM 1466 CB HIS A 95 31.297 -23.643 -28.697 1.00 24.45 C ATOM 1467 CG HIS A 95 30.624 -24.036 -29.976 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.003 -23.130 -30.809 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.478 -25.246 -30.565 1.00 34.13 C ATOM 1470 CE1 HIS A 95 29.502 -23.765 -31.853 1.00 5.54 C ATOM 1471 NE2 HIS A 95 29.777 -25.051 -31.729 1.00 74.23 N ATOM 0 H HIS A 95 29.491 -21.528 -28.195 1.00 34.15 H new ATOM 0 HA HIS A 95 29.893 -24.284 -27.203 1.00 64.32 H new ATOM 0 HB2 HIS A 95 31.912 -22.761 -28.876 1.00 24.45 H new ATOM 0 HB3 HIS A 95 31.970 -24.444 -28.389 1.00 24.45 H new ATOM 0 HD2 HIS A 95 30.845 -26.190 -30.189 1.00 34.13 H new ATOM 0 HE1 HIS A 95 28.960 -23.310 -32.669 1.00 5.54 H new ATOM 0 HE2 HIS A 95 29.512 -25.781 -32.391 1.00 74.23 H new ATOM 1479 N VAL A 96 30.775 -23.138 -25.184 1.00 71.10 N ATOM 1480 CA VAL A 96 31.412 -22.589 -23.993 1.00 11.24 C ATOM 1481 C VAL A 96 32.701 -23.334 -23.666 1.00 23.32 C ATOM 1482 O VAL A 96 32.781 -24.554 -23.814 1.00 52.24 O ATOM 1483 CB VAL A 96 30.472 -22.651 -22.775 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.158 -22.083 -21.541 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.176 -21.909 -23.064 1.00 41.02 C ATOM 0 H VAL A 96 30.107 -23.886 -24.998 1.00 71.10 H new ATOM 0 HA VAL A 96 31.644 -21.546 -24.210 1.00 11.24 H new ATOM 0 HB VAL A 96 30.230 -23.695 -22.578 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.478 -22.135 -20.690 1.00 42.13 H new ATOM 0 HG12 VAL A 96 32.055 -22.662 -21.324 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.432 -21.044 -21.723 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.524 -21.963 -22.192 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.396 -20.865 -23.288 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.678 -22.366 -23.919 1.00 41.02 H new