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= 0.449 X(o=-0.36,f=-0.23) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.811 X(o=-0.36,f=-0.23) USER MOD Set 2.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 50 HIS : no HD1:sc= -0.563 K(o=-0.56,f=-0.024) USER MOD Set 3.1: A 34 SER OG : rot 92:sc= 1.3 USER MOD Set 3.2: A 38 ASN : amide:sc= -3.91! C(o=-2.6!,f=-8.5!) USER MOD Single : A 20 THR OG1 : rot 170:sc= -1.29 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0985 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0733 K(o=-0.073,f=-1.7!) USER MOD Single : A 41 SER OG : rot -40:sc= 0.622 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= 1.85 (180deg=1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc=-0.000649 X(o=-0.00065,f=-0.15) USER MOD Single : A 64 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-0.33) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= 0.554 (180deg=-0.00133) USER MOD Single : A 73 GLN : amide:sc=-0.00708 K(o=-0.0071,f=-1.1) USER MOD Single : A 76 HIS : no HD1:sc= -3.96! K(o=-4!,f=-1.6) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.557 X(o=-0.56,f=-0.075) USER MOD Single : A 95 HIS : no HE2:sc= -2.38 K(o=-2.4,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.807 -22.705 -13.354 1.00 12.42 N ATOM 234 CA ALA A 17 29.966 -22.568 -14.797 1.00 42.35 C ATOM 235 C ALA A 17 29.958 -21.101 -15.213 1.00 62.44 C ATOM 236 O ALA A 17 29.391 -20.253 -14.523 1.00 42.53 O ATOM 237 CB ALA A 17 28.869 -23.331 -15.524 1.00 33.33 C ATOM 0 HA ALA A 17 30.932 -22.992 -15.073 1.00 42.35 H new ATOM 0 HB1 ALA A 17 29.000 -23.220 -16.600 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.923 -24.387 -15.259 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.896 -22.934 -15.234 1.00 33.33 H new ATOM 243 N ARG A 18 30.590 -20.808 -16.345 1.00 70.43 N ATOM 244 CA ARG A 18 30.657 -19.443 -16.852 1.00 32.44 C ATOM 245 C ARG A 18 29.337 -19.040 -17.503 1.00 34.41 C ATOM 246 O ARG A 18 28.543 -19.880 -17.926 1.00 12.32 O ATOM 247 CB ARG A 18 31.798 -19.306 -17.861 1.00 12.31 C ATOM 248 CG ARG A 18 33.119 -18.889 -17.234 1.00 64.34 C ATOM 249 CD ARG A 18 34.209 -18.734 -18.283 1.00 1.20 C ATOM 250 NE ARG A 18 35.216 -17.754 -17.885 1.00 31.54 N ATOM 251 CZ ARG A 18 34.985 -16.447 -17.822 1.00 74.52 C ATOM 252 NH1 ARG A 18 33.787 -15.967 -18.129 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 35.952 -15.618 -17.451 1.00 25.53 N ATOM 0 H ARG A 18 31.063 -21.498 -16.928 1.00 70.43 H new ATOM 0 HA ARG A 18 30.845 -18.778 -16.009 1.00 32.44 H new ATOM 0 HB2 ARG A 18 31.934 -20.258 -18.375 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.517 -18.573 -18.617 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.989 -17.947 -16.701 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.424 -19.632 -16.498 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.689 -19.698 -18.453 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.761 -18.430 -19.229 1.00 1.20 H new ATOM 0 HE ARG A 18 36.147 -18.091 -17.642 1.00 31.54 H new ATOM 0 HH11 ARG A 18 33.041 -16.602 -18.414 1.00 5.14 H new ATOM 0 HH12 ARG A 18 33.612 -14.963 -18.080 1.00 5.14 H new ATOM 0 HH21 ARG A 18 36.874 -15.984 -17.214 1.00 25.53 H new ATOM 0 HH22 ARG A 18 35.773 -14.615 -17.403 1.00 25.53 H new ATOM 267 N PRO A 19 29.096 -17.723 -17.585 1.00 3.15 N ATOM 268 CA PRO A 19 27.873 -17.178 -18.183 1.00 23.40 C ATOM 269 C PRO A 19 27.827 -17.380 -19.694 1.00 70.32 C ATOM 270 O PRO A 19 28.846 -17.661 -20.325 1.00 5.33 O ATOM 271 CB PRO A 19 27.947 -15.687 -17.845 1.00 44.10 C ATOM 272 CG PRO A 19 29.400 -15.409 -17.674 1.00 71.22 C ATOM 273 CD PRO A 19 29.998 -16.664 -17.101 1.00 71.44 C ATOM 0 HA PRO A 19 26.978 -17.671 -17.803 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.519 -15.079 -18.642 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.391 -15.459 -16.936 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.864 -15.156 -18.628 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.559 -14.561 -17.007 1.00 71.22 H new ATOM 0 HD2 PRO A 19 31.020 -16.817 -17.448 1.00 71.44 H new ATOM 0 HD3 PRO A 19 30.032 -16.632 -16.012 1.00 71.44 H new ATOM 281 N THR A 20 26.637 -17.235 -20.269 1.00 62.41 N ATOM 282 CA THR A 20 26.458 -17.403 -21.706 1.00 11.43 C ATOM 283 C THR A 20 26.575 -16.068 -22.434 1.00 21.11 C ATOM 284 O THR A 20 26.363 -15.008 -21.845 1.00 33.42 O ATOM 285 CB THR A 20 25.091 -18.033 -22.032 1.00 72.41 C ATOM 286 OG1 THR A 20 25.066 -18.470 -23.395 1.00 51.10 O ATOM 287 CG2 THR A 20 23.965 -17.039 -21.792 1.00 52.22 C ATOM 0 H THR A 20 25.783 -17.002 -19.762 1.00 62.41 H new ATOM 0 HA THR A 20 27.249 -18.071 -22.047 1.00 11.43 H new ATOM 0 HB THR A 20 24.944 -18.889 -21.373 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.263 -19.010 -23.551 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.010 -17.507 -22.029 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.968 -16.731 -20.746 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.109 -16.166 -22.428 1.00 52.22 H new ATOM 295 N VAL A 21 26.914 -16.128 -23.718 1.00 64.42 N ATOM 296 CA VAL A 21 27.058 -14.923 -24.527 1.00 34.44 C ATOM 297 C VAL A 21 25.909 -14.788 -25.520 1.00 4.33 C ATOM 298 O VAL A 21 25.913 -15.417 -26.578 1.00 53.11 O ATOM 299 CB VAL A 21 28.392 -14.921 -25.298 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.509 -13.673 -26.159 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.564 -15.027 -24.334 1.00 42.33 C ATOM 0 H VAL A 21 27.094 -16.997 -24.220 1.00 64.42 H new ATOM 0 HA VAL A 21 27.043 -14.076 -23.841 1.00 34.44 H new ATOM 0 HB VAL A 21 28.413 -15.790 -25.956 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.457 -13.689 -26.696 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.687 -13.646 -26.875 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.466 -12.788 -25.524 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.498 -15.024 -24.895 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.550 -14.179 -23.649 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.485 -15.954 -23.766 1.00 42.33 H new ATOM 311 N ILE A 22 24.928 -13.963 -25.172 1.00 22.23 N ATOM 312 CA ILE A 22 23.773 -13.743 -26.033 1.00 2.23 C ATOM 313 C ILE A 22 23.503 -12.254 -26.222 1.00 11.25 C ATOM 314 O ILE A 22 23.597 -11.471 -25.276 1.00 71.43 O ATOM 315 CB ILE A 22 22.510 -14.415 -25.463 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.461 -15.888 -25.872 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.262 -13.686 -25.939 1.00 73.20 C ATOM 318 CD1 ILE A 22 23.013 -16.826 -24.821 1.00 75.24 C ATOM 0 H ILE A 22 24.910 -13.435 -24.299 1.00 22.23 H new ATOM 0 HA ILE A 22 24.009 -14.192 -26.998 1.00 2.23 H new ATOM 0 HB ILE A 22 22.547 -14.360 -24.375 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.428 -16.163 -26.086 1.00 14.22 H new ATOM 0 HG13 ILE A 22 23.024 -16.019 -26.796 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.377 -14.173 -25.528 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.295 -12.650 -25.603 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.218 -13.713 -27.028 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.946 -17.853 -25.179 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.056 -16.578 -24.623 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.435 -16.724 -23.902 1.00 75.24 H new ATOM 330 N ARG A 23 23.164 -11.870 -27.448 1.00 22.13 N ATOM 331 CA ARG A 23 22.879 -10.475 -27.761 1.00 2.21 C ATOM 332 C ARG A 23 21.878 -10.369 -28.907 1.00 24.52 C ATOM 333 O ARG A 23 22.216 -10.619 -30.064 1.00 2.42 O ATOM 334 CB ARG A 23 24.169 -9.738 -28.126 1.00 42.34 C ATOM 335 CG ARG A 23 24.977 -10.426 -29.214 1.00 24.01 C ATOM 336 CD ARG A 23 26.395 -9.884 -29.282 1.00 73.43 C ATOM 337 NE ARG A 23 27.213 -10.610 -30.250 1.00 13.23 N ATOM 338 CZ ARG A 23 28.498 -10.352 -30.467 1.00 71.22 C ATOM 339 NH1 ARG A 23 29.109 -9.391 -29.787 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 29.175 -11.056 -31.365 1.00 52.22 N ATOM 0 H ARG A 23 23.080 -12.506 -28.241 1.00 22.13 H new ATOM 0 HA ARG A 23 22.442 -10.012 -26.876 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.920 -8.728 -28.453 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.787 -9.641 -27.233 1.00 42.34 H new ATOM 0 HG2 ARG A 23 25.005 -11.499 -29.024 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.486 -10.286 -30.177 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.367 -8.828 -29.551 1.00 73.43 H new ATOM 0 HD3 ARG A 23 26.856 -9.950 -28.296 1.00 73.43 H new ATOM 0 HE ARG A 23 26.773 -11.356 -30.789 1.00 13.23 H new ATOM 0 HH11 ARG A 23 28.592 -8.848 -29.095 1.00 41.22 H new ATOM 0 HH12 ARG A 23 30.096 -9.195 -29.956 1.00 41.22 H new ATOM 0 HH21 ARG A 23 28.709 -11.796 -31.890 1.00 52.22 H new ATOM 0 HH22 ARG A 23 30.162 -10.857 -31.531 1.00 52.22 H new ATOM 354 N TRP A 24 20.647 -9.997 -28.578 1.00 71.11 N ATOM 355 CA TRP A 24 19.596 -9.858 -29.580 1.00 14.11 C ATOM 356 C TRP A 24 19.077 -8.425 -29.629 1.00 74.11 C ATOM 357 O TRP A 24 18.721 -7.848 -28.602 1.00 40.02 O ATOM 358 CB TRP A 24 18.446 -10.820 -29.280 1.00 23.53 C ATOM 359 CG TRP A 24 17.252 -10.613 -30.163 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.239 -9.717 -29.974 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.948 -11.317 -31.371 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.323 -9.822 -30.993 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.735 -10.796 -31.863 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.583 -12.336 -32.087 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.147 -11.261 -33.036 1.00 23.31 C ATOM 366 CZ3 TRP A 24 16.997 -12.797 -33.251 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.790 -12.259 -33.717 1.00 42.54 C ATOM 0 H TRP A 24 20.351 -9.786 -27.625 1.00 71.11 H new ATOM 0 HA TRP A 24 20.021 -10.104 -30.553 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.800 -11.845 -29.394 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.144 -10.701 -28.239 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.168 -9.027 -29.146 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.474 -9.265 -31.086 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.515 -12.756 -31.737 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.216 -10.849 -33.396 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.478 -13.585 -33.811 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.359 -12.639 -34.631 1.00 42.54 H new ATOM 378 N SER A 25 19.036 -7.856 -30.830 1.00 14.13 N ATOM 379 CA SER A 25 18.564 -6.488 -31.012 1.00 42.24 C ATOM 380 C SER A 25 17.558 -6.409 -32.156 1.00 64.44 C ATOM 381 O SER A 25 17.930 -6.462 -33.328 1.00 51.21 O ATOM 382 CB SER A 25 19.742 -5.551 -31.287 1.00 73.05 C ATOM 383 OG SER A 25 20.916 -6.004 -30.637 1.00 65.11 O ATOM 0 H SER A 25 19.324 -8.321 -31.691 1.00 14.13 H new ATOM 0 HA SER A 25 18.068 -6.175 -30.093 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.918 -5.489 -32.361 1.00 73.05 H new ATOM 0 HB3 SER A 25 19.498 -4.545 -30.945 1.00 73.05 H new ATOM 0 HG SER A 25 21.655 -5.389 -30.830 1.00 65.11 H new ATOM 389 N GLU A 26 16.282 -6.281 -31.806 1.00 53.54 N ATOM 390 CA GLU A 26 15.222 -6.196 -32.804 1.00 53.15 C ATOM 391 C GLU A 26 14.212 -5.113 -32.434 1.00 73.25 C ATOM 392 O GLU A 26 14.070 -4.114 -33.137 1.00 53.42 O ATOM 393 CB GLU A 26 14.512 -7.544 -32.944 1.00 25.03 C ATOM 394 CG GLU A 26 13.678 -7.665 -34.208 1.00 61.21 C ATOM 395 CD GLU A 26 14.527 -7.711 -35.464 1.00 62.40 C ATOM 396 OE1 GLU A 26 14.918 -6.631 -35.955 1.00 31.44 O ATOM 397 OE2 GLU A 26 14.799 -8.825 -35.956 1.00 63.14 O1- ATOM 0 H GLU A 26 15.957 -6.234 -30.840 1.00 53.54 H new ATOM 0 HA GLU A 26 15.678 -5.933 -33.759 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.257 -8.340 -32.933 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.868 -7.697 -32.078 1.00 25.03 H new ATOM 0 HG2 GLU A 26 13.069 -8.567 -34.152 1.00 61.21 H new ATOM 0 HG3 GLU A 26 12.992 -6.820 -34.268 1.00 61.21 H new ATOM 404 N GLY A 27 13.512 -5.320 -31.322 1.00 44.43 N ATOM 405 CA GLY A 27 12.524 -4.355 -30.877 1.00 31.34 C ATOM 406 C GLY A 27 11.167 -4.985 -30.632 1.00 63.32 C ATOM 407 O GLY A 27 10.135 -4.391 -30.939 1.00 61.55 O ATOM 0 H GLY A 27 13.612 -6.139 -30.722 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.872 -3.881 -29.959 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.426 -3.568 -31.625 1.00 31.34 H new ATOM 411 N GLY A 28 11.169 -6.194 -30.078 1.00 21.34 N ATOM 412 CA GLY A 28 9.924 -6.886 -29.802 1.00 62.33 C ATOM 413 C GLY A 28 9.340 -6.515 -28.453 1.00 50.05 C ATOM 414 O GLY A 28 9.712 -5.499 -27.866 1.00 23.31 O ATOM 0 H GLY A 28 12.011 -6.706 -29.816 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.201 -6.652 -30.584 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.095 -7.962 -29.837 1.00 62.33 H new ATOM 418 N LYS A 29 8.422 -7.339 -27.961 1.00 15.42 N ATOM 419 CA LYS A 29 7.785 -7.094 -26.672 1.00 45.44 C ATOM 420 C LYS A 29 8.424 -7.943 -25.579 1.00 12.10 C ATOM 421 O LYS A 29 8.595 -7.488 -24.448 1.00 63.53 O ATOM 422 CB LYS A 29 6.287 -7.394 -26.756 1.00 41.32 C ATOM 423 CG LYS A 29 5.555 -6.554 -27.788 1.00 72.44 C ATOM 424 CD LYS A 29 4.066 -6.480 -27.493 1.00 52.45 C ATOM 425 CE LYS A 29 3.752 -5.392 -26.478 1.00 71.52 C ATOM 426 NZ LYS A 29 2.291 -5.285 -26.213 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.102 -8.183 -28.435 1.00 15.42 H new ATOM 0 HA LYS A 29 7.925 -6.043 -26.419 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.149 -8.449 -26.994 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.836 -7.227 -25.778 1.00 41.32 H new ATOM 0 HG2 LYS A 29 5.974 -5.548 -27.803 1.00 72.44 H new ATOM 0 HG3 LYS A 29 5.710 -6.979 -28.780 1.00 72.44 H new ATOM 0 HD2 LYS A 29 3.520 -6.286 -28.416 1.00 52.45 H new ATOM 0 HD3 LYS A 29 3.721 -7.442 -27.115 1.00 52.45 H new ATOM 0 HE2 LYS A 29 4.276 -5.603 -25.546 1.00 71.52 H new ATOM 0 HE3 LYS A 29 4.126 -4.436 -26.844 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 2.119 -4.532 -25.516 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 1.793 -5.058 -27.098 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 1.939 -6.190 -25.840 1.00 53.32 H new ATOM 440 N GLU A 30 8.775 -9.178 -25.924 1.00 44.21 N ATOM 441 CA GLU A 30 9.396 -10.090 -24.970 1.00 11.54 C ATOM 442 C GLU A 30 10.322 -11.073 -25.680 1.00 2.32 C ATOM 443 O GLU A 30 9.942 -11.694 -26.673 1.00 51.51 O ATOM 444 CB GLU A 30 8.325 -10.854 -24.189 1.00 14.34 C ATOM 445 CG GLU A 30 7.556 -11.857 -25.033 1.00 21.41 C ATOM 446 CD GLU A 30 6.216 -12.225 -24.426 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.660 -11.400 -23.671 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.724 -13.338 -24.707 1.00 2.20 O ATOM 0 H GLU A 30 8.640 -9.570 -26.856 1.00 44.21 H new ATOM 0 HA GLU A 30 9.989 -9.497 -24.274 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.797 -11.378 -23.358 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.623 -10.140 -23.758 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.398 -11.443 -26.029 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.156 -12.759 -25.155 1.00 21.41 H new ATOM 455 N VAL A 31 11.540 -11.209 -25.165 1.00 1.21 N ATOM 456 CA VAL A 31 12.520 -12.116 -25.748 1.00 20.01 C ATOM 457 C VAL A 31 12.935 -13.193 -24.751 1.00 24.24 C ATOM 458 O VAL A 31 13.240 -12.899 -23.595 1.00 60.13 O ATOM 459 CB VAL A 31 13.775 -11.358 -26.220 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.745 -12.307 -26.907 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.390 -10.214 -27.145 1.00 53.33 C ATOM 0 H VAL A 31 11.871 -10.702 -24.344 1.00 1.21 H new ATOM 0 HA VAL A 31 12.043 -12.586 -26.608 1.00 20.01 H new ATOM 0 HB VAL A 31 14.273 -10.937 -25.347 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.625 -11.754 -27.234 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.046 -13.088 -26.209 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.260 -12.760 -27.772 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.289 -9.690 -27.469 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.868 -10.610 -28.016 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.737 -9.521 -26.614 1.00 53.33 H new ATOM 471 N PHE A 32 12.943 -14.441 -25.206 1.00 63.42 N ATOM 472 CA PHE A 32 13.320 -15.563 -24.354 1.00 64.12 C ATOM 473 C PHE A 32 14.304 -16.484 -25.070 1.00 21.54 C ATOM 474 O PHE A 32 14.296 -16.583 -26.298 1.00 42.43 O ATOM 475 CB PHE A 32 12.078 -16.352 -23.935 1.00 75.51 C ATOM 476 CG PHE A 32 11.159 -15.586 -23.027 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.341 -15.611 -21.654 1.00 72.34 C ATOM 478 CD2 PHE A 32 10.112 -14.841 -23.547 1.00 62.05 C ATOM 479 CE1 PHE A 32 10.498 -14.907 -20.815 1.00 32.23 C ATOM 480 CE2 PHE A 32 9.266 -14.135 -22.713 1.00 3.23 C ATOM 481 CZ PHE A 32 9.458 -14.168 -21.346 1.00 24.12 C ATOM 0 H PHE A 32 12.693 -14.701 -26.160 1.00 63.42 H new ATOM 0 HA PHE A 32 13.806 -15.163 -23.464 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.528 -16.650 -24.828 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.391 -17.268 -23.433 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.152 -16.188 -21.234 1.00 72.34 H new ATOM 0 HD2 PHE A 32 9.956 -14.812 -24.615 1.00 62.05 H new ATOM 0 HE1 PHE A 32 10.652 -14.934 -19.746 1.00 32.23 H new ATOM 0 HE2 PHE A 32 8.455 -13.557 -23.130 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.797 -13.617 -20.693 1.00 24.12 H new ATOM 491 N ILE A 33 15.149 -17.154 -24.295 1.00 13.35 N ATOM 492 CA ILE A 33 16.139 -18.066 -24.854 1.00 22.33 C ATOM 493 C ILE A 33 15.981 -19.469 -24.278 1.00 62.43 C ATOM 494 O ILE A 33 15.676 -19.635 -23.097 1.00 63.03 O ATOM 495 CB ILE A 33 17.573 -17.573 -24.589 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.585 -18.471 -25.304 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.853 -17.536 -23.094 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.025 -18.123 -24.996 1.00 22.31 C ATOM 0 H ILE A 33 15.168 -17.083 -23.278 1.00 13.35 H new ATOM 0 HA ILE A 33 15.968 -18.096 -25.930 1.00 22.33 H new ATOM 0 HB ILE A 33 17.672 -16.561 -24.982 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.402 -19.508 -25.022 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.425 -18.401 -26.380 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.871 -17.185 -22.923 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.150 -16.859 -22.609 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.739 -18.537 -22.678 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.687 -18.800 -25.537 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.225 -17.097 -25.304 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.202 -18.221 -23.925 1.00 22.31 H new ATOM 510 N SER A 34 16.192 -20.476 -25.119 1.00 25.03 N ATOM 511 CA SER A 34 16.072 -21.866 -24.693 1.00 60.30 C ATOM 512 C SER A 34 16.997 -22.765 -25.507 1.00 10.42 C ATOM 513 O SER A 34 17.130 -22.603 -26.719 1.00 43.22 O ATOM 514 CB SER A 34 14.624 -22.341 -24.836 1.00 31.12 C ATOM 515 OG SER A 34 14.400 -23.524 -24.089 1.00 65.53 O ATOM 0 H SER A 34 16.447 -20.356 -26.099 1.00 25.03 H new ATOM 0 HA SER A 34 16.365 -21.927 -23.645 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.946 -21.558 -24.496 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.400 -22.523 -25.887 1.00 31.12 H new ATOM 0 HG SER A 34 14.077 -23.289 -23.194 1.00 65.53 H new ATOM 521 N GLY A 35 17.634 -23.716 -24.830 1.00 50.42 N ATOM 522 CA GLY A 35 18.539 -24.628 -25.506 1.00 51.10 C ATOM 523 C GLY A 35 18.575 -25.996 -24.855 1.00 32.54 C ATOM 524 O GLY A 35 17.710 -26.329 -24.045 1.00 42.30 O ATOM 0 H GLY A 35 17.540 -23.871 -23.826 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.234 -24.732 -26.547 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.543 -24.204 -25.509 1.00 51.10 H new ATOM 528 N SER A 36 19.577 -26.793 -25.211 1.00 50.42 N ATOM 529 CA SER A 36 19.720 -28.136 -24.660 1.00 60.21 C ATOM 530 C SER A 36 20.187 -28.081 -23.209 1.00 34.32 C ATOM 531 O SER A 36 20.063 -29.056 -22.468 1.00 45.21 O ATOM 532 CB SER A 36 20.709 -28.951 -25.496 1.00 64.21 C ATOM 533 OG SER A 36 21.943 -28.269 -25.633 1.00 43.11 O ATOM 0 H SER A 36 20.302 -26.532 -25.879 1.00 50.42 H new ATOM 0 HA SER A 36 18.744 -28.620 -24.691 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.876 -29.920 -25.026 1.00 64.21 H new ATOM 0 HB3 SER A 36 20.285 -29.144 -26.481 1.00 64.21 H new ATOM 0 HG SER A 36 22.558 -28.811 -26.170 1.00 43.11 H new ATOM 539 N PHE A 37 20.725 -26.933 -22.810 1.00 5.12 N ATOM 540 CA PHE A 37 21.212 -26.750 -21.448 1.00 1.32 C ATOM 541 C PHE A 37 20.075 -26.887 -20.440 1.00 52.10 C ATOM 542 O PHE A 37 20.308 -27.079 -19.248 1.00 24.42 O ATOM 543 CB PHE A 37 21.876 -25.379 -21.302 1.00 52.43 C ATOM 544 CG PHE A 37 20.994 -24.238 -21.721 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.068 -23.701 -20.841 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.090 -23.702 -22.995 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.255 -22.651 -21.223 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.280 -22.651 -23.383 1.00 24.25 C ATOM 549 CZ PHE A 37 19.361 -22.126 -22.496 1.00 63.21 C ATOM 0 H PHE A 37 20.835 -26.116 -23.411 1.00 5.12 H new ATOM 0 HA PHE A 37 21.949 -27.527 -21.245 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.172 -25.236 -20.263 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.788 -25.361 -21.898 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.981 -24.108 -19.844 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.806 -24.110 -23.693 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.538 -22.241 -20.527 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.366 -22.241 -24.378 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.726 -21.306 -22.797 1.00 63.21 H new ATOM 559 N ASN A 38 18.843 -26.786 -20.930 1.00 73.11 N ATOM 560 CA ASN A 38 17.668 -26.897 -20.072 1.00 10.42 C ATOM 561 C ASN A 38 16.680 -27.914 -20.634 1.00 21.43 C ATOM 562 O ASN A 38 15.532 -27.986 -20.196 1.00 31.21 O ATOM 563 CB ASN A 38 16.987 -25.535 -19.926 1.00 72.03 C ATOM 564 CG ASN A 38 16.048 -25.231 -21.077 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.875 -25.602 -21.050 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.562 -24.553 -22.097 1.00 44.21 N ATOM 0 H ASN A 38 18.633 -26.628 -21.915 1.00 73.11 H new ATOM 0 HA ASN A 38 17.996 -27.239 -19.090 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.430 -25.509 -18.990 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.747 -24.756 -19.866 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.978 -24.320 -22.900 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.540 -24.265 -22.077 1.00 44.21 H new ATOM 573 N ASN A 39 17.135 -28.700 -21.605 1.00 32.24 N ATOM 574 CA ASN A 39 16.291 -29.714 -22.226 1.00 20.50 C ATOM 575 C ASN A 39 15.111 -29.071 -22.949 1.00 23.03 C ATOM 576 O ASN A 39 14.096 -29.721 -23.202 1.00 14.24 O ATOM 577 CB ASN A 39 15.782 -30.699 -21.172 1.00 75.11 C ATOM 578 CG ASN A 39 15.488 -32.068 -21.755 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.624 -32.285 -22.959 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.083 -33.000 -20.900 1.00 64.12 N ATOM 0 H ASN A 39 18.083 -28.654 -21.978 1.00 32.24 H new ATOM 0 HA ASN A 39 16.893 -30.254 -22.957 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.525 -30.796 -20.380 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.877 -30.301 -20.713 1.00 75.11 H new ATOM 0 HD21 ASN A 39 14.871 -33.940 -21.233 1.00 64.12 H new ATOM 0 HD22 ASN A 39 14.984 -32.776 -19.910 1.00 64.12 H new ATOM 587 N TRP A 40 15.252 -27.792 -23.279 1.00 1.42 N ATOM 588 CA TRP A 40 14.198 -27.061 -23.974 1.00 70.44 C ATOM 589 C TRP A 40 12.863 -27.217 -23.254 1.00 14.41 C ATOM 590 O TRP A 40 11.807 -27.251 -23.887 1.00 75.11 O ATOM 591 CB TRP A 40 14.075 -27.553 -25.417 1.00 13.40 C ATOM 592 CG TRP A 40 15.381 -27.572 -26.152 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.388 -28.483 -26.009 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.820 -26.637 -27.143 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.428 -28.170 -26.851 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.104 -27.042 -27.558 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.254 -25.498 -27.721 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.827 -26.347 -28.523 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.973 -24.809 -28.679 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.249 -25.236 -29.073 1.00 62.54 C ATOM 0 H TRP A 40 16.085 -27.240 -23.077 1.00 1.42 H new ATOM 0 HA TRP A 40 14.465 -26.004 -23.980 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.652 -28.558 -25.416 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.374 -26.913 -25.953 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.370 -29.326 -25.334 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.300 -28.693 -26.936 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.272 -25.162 -27.424 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.810 -26.674 -28.827 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.545 -23.927 -29.132 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.786 -24.677 -29.825 1.00 62.54 H new ATOM 611 N SER A 41 12.916 -27.310 -21.930 1.00 25.55 N ATOM 612 CA SER A 41 11.710 -27.466 -21.125 1.00 24.31 C ATOM 613 C SER A 41 11.422 -26.197 -20.328 1.00 73.12 C ATOM 614 O SER A 41 10.623 -26.206 -19.391 1.00 72.53 O ATOM 615 CB SER A 41 11.855 -28.656 -20.175 1.00 23.43 C ATOM 616 OG SER A 41 10.626 -28.950 -19.534 1.00 55.35 O ATOM 0 H SER A 41 13.782 -27.280 -21.391 1.00 25.55 H new ATOM 0 HA SER A 41 10.874 -27.649 -21.800 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.197 -29.529 -20.731 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.616 -28.437 -19.426 1.00 23.43 H new ATOM 0 HG SER A 41 10.178 -28.114 -19.287 1.00 55.35 H new ATOM 622 N THR A 42 12.079 -25.105 -20.707 1.00 74.23 N ATOM 623 CA THR A 42 11.896 -23.829 -20.028 1.00 14.13 C ATOM 624 C THR A 42 12.485 -22.683 -20.843 1.00 20.24 C ATOM 625 O THR A 42 13.478 -22.857 -21.549 1.00 53.41 O ATOM 626 CB THR A 42 12.544 -23.837 -18.631 1.00 54.43 C ATOM 627 OG1 THR A 42 12.310 -22.586 -17.974 1.00 52.32 O ATOM 628 CG2 THR A 42 14.041 -24.090 -18.730 1.00 23.45 C ATOM 0 H THR A 42 12.743 -25.079 -21.481 1.00 74.23 H new ATOM 0 HA THR A 42 10.822 -23.680 -19.920 1.00 14.13 H new ATOM 0 HB THR A 42 12.092 -24.642 -18.051 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.724 -22.600 -17.086 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.477 -24.091 -17.731 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.216 -25.056 -19.203 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.504 -23.304 -19.327 1.00 23.45 H new ATOM 636 N LYS A 43 11.868 -21.511 -20.739 1.00 1.11 N ATOM 637 CA LYS A 43 12.332 -20.335 -21.465 1.00 64.11 C ATOM 638 C LYS A 43 13.019 -19.351 -20.523 1.00 3.12 C ATOM 639 O LYS A 43 12.405 -18.845 -19.583 1.00 72.24 O ATOM 640 CB LYS A 43 11.160 -19.649 -22.170 1.00 65.14 C ATOM 641 CG LYS A 43 10.826 -20.253 -23.522 1.00 42.20 C ATOM 642 CD LYS A 43 10.229 -19.219 -24.463 1.00 2.13 C ATOM 643 CE LYS A 43 9.168 -19.832 -25.364 1.00 63.12 C ATOM 644 NZ LYS A 43 7.899 -19.054 -25.333 1.00 4.54 N1+ ATOM 0 H LYS A 43 11.045 -21.350 -20.159 1.00 1.11 H new ATOM 0 HA LYS A 43 13.055 -20.662 -22.212 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.280 -19.703 -21.530 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.394 -18.593 -22.301 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.728 -20.673 -23.967 1.00 42.20 H new ATOM 0 HG3 LYS A 43 10.123 -21.075 -23.390 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.790 -18.408 -23.882 1.00 2.13 H new ATOM 0 HD3 LYS A 43 11.019 -18.783 -25.074 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.542 -19.877 -26.387 1.00 63.12 H new ATOM 0 HE3 LYS A 43 8.973 -20.858 -25.050 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.119 -19.648 -25.681 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.698 -18.756 -24.357 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 7.992 -18.214 -25.939 1.00 4.54 H new ATOM 658 N ILE A 44 14.294 -19.082 -20.783 1.00 22.14 N ATOM 659 CA ILE A 44 15.062 -18.157 -19.959 1.00 54.22 C ATOM 660 C ILE A 44 14.825 -16.713 -20.388 1.00 22.01 C ATOM 661 O ILE A 44 14.872 -16.374 -21.571 1.00 31.33 O ATOM 662 CB ILE A 44 16.571 -18.459 -20.030 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.925 -19.617 -19.094 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.377 -17.219 -19.675 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.346 -20.945 -19.530 1.00 62.32 C ATOM 0 H ILE A 44 14.817 -19.491 -21.557 1.00 22.14 H new ATOM 0 HA ILE A 44 14.720 -18.291 -18.933 1.00 54.22 H new ATOM 0 HB ILE A 44 16.821 -18.751 -21.050 1.00 4.25 H new ATOM 0 HG12 ILE A 44 18.010 -19.705 -19.033 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.567 -19.385 -18.091 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.441 -17.449 -19.730 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.142 -16.419 -20.377 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.126 -16.899 -18.663 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.637 -21.719 -18.820 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.259 -20.874 -19.564 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.724 -21.199 -20.520 1.00 62.32 H new ATOM 677 N PRO A 45 14.565 -15.839 -19.404 1.00 72.14 N ATOM 678 CA PRO A 45 14.317 -14.416 -19.655 1.00 74.30 C ATOM 679 C PRO A 45 15.573 -13.680 -20.110 1.00 3.41 C ATOM 680 O PRO A 45 16.660 -13.895 -19.572 1.00 31.12 O ATOM 681 CB PRO A 45 13.854 -13.891 -18.293 1.00 2.44 C ATOM 682 CG PRO A 45 14.457 -14.826 -17.302 1.00 44.21 C ATOM 683 CD PRO A 45 14.493 -16.172 -17.972 1.00 20.33 C ATOM 0 HA PRO A 45 13.593 -14.264 -20.455 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.191 -12.868 -18.128 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.766 -13.884 -18.220 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.459 -14.503 -17.020 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.865 -14.861 -16.388 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.355 -16.757 -17.652 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.605 -16.760 -17.740 1.00 20.33 H new ATOM 691 N LEU A 46 15.416 -12.811 -21.102 1.00 64.14 N ATOM 692 CA LEU A 46 16.538 -12.042 -21.629 1.00 65.52 C ATOM 693 C LEU A 46 16.592 -10.654 -20.999 1.00 32.13 C ATOM 694 O LEU A 46 15.774 -9.788 -21.310 1.00 65.14 O ATOM 695 CB LEU A 46 16.428 -11.919 -23.150 1.00 61.33 C ATOM 696 CG LEU A 46 17.433 -12.735 -23.964 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.991 -14.187 -24.056 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.604 -12.138 -25.353 1.00 72.32 C ATOM 0 H LEU A 46 14.523 -12.621 -21.558 1.00 64.14 H new ATOM 0 HA LEU A 46 17.458 -12.571 -21.378 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.423 -12.218 -23.447 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.541 -10.869 -23.419 1.00 61.33 H new ATOM 0 HG LEU A 46 18.396 -12.702 -23.455 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.718 -14.752 -24.639 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.921 -14.610 -23.054 1.00 34.30 H new ATOM 0 HD13 LEU A 46 16.016 -14.241 -24.541 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.323 -12.731 -25.918 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.645 -12.140 -25.871 1.00 72.32 H new ATOM 0 HD23 LEU A 46 17.967 -11.114 -25.267 1.00 72.32 H new ATOM 710 N ILE A 47 17.560 -10.450 -20.112 1.00 14.12 N ATOM 711 CA ILE A 47 17.722 -9.166 -19.440 1.00 74.30 C ATOM 712 C ILE A 47 17.763 -8.021 -20.446 1.00 14.44 C ATOM 713 O ILE A 47 18.756 -7.833 -21.150 1.00 31.41 O ATOM 714 CB ILE A 47 19.006 -9.134 -18.590 1.00 0.44 C ATOM 715 CG1 ILE A 47 18.988 -10.263 -17.557 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.153 -7.784 -17.904 1.00 33.01 C ATOM 717 CD1 ILE A 47 17.793 -10.216 -16.631 1.00 44.14 C ATOM 0 H ILE A 47 18.244 -11.157 -19.842 1.00 14.12 H new ATOM 0 HA ILE A 47 16.859 -9.041 -18.785 1.00 74.30 H new ATOM 0 HB ILE A 47 19.863 -9.281 -19.247 1.00 0.44 H new ATOM 0 HG12 ILE A 47 18.997 -11.221 -18.077 1.00 30.24 H new ATOM 0 HG13 ILE A 47 19.900 -10.215 -16.962 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.065 -7.777 -17.307 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.206 -6.997 -18.657 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.294 -7.610 -17.256 1.00 33.01 H new ATOM 0 HD11 ILE A 47 17.846 -11.046 -15.926 1.00 44.14 H new ATOM 0 HD12 ILE A 47 17.794 -9.274 -16.083 1.00 44.14 H new ATOM 0 HD13 ILE A 47 16.876 -10.295 -17.216 1.00 44.14 H new ATOM 729 N LYS A 48 16.679 -7.256 -20.508 1.00 15.21 N ATOM 730 CA LYS A 48 16.590 -6.126 -21.425 1.00 3.13 C ATOM 731 C LYS A 48 17.590 -5.038 -21.046 1.00 43.44 C ATOM 732 O LYS A 48 17.552 -4.506 -19.936 1.00 42.12 O ATOM 733 CB LYS A 48 15.171 -5.552 -21.424 1.00 15.03 C ATOM 734 CG LYS A 48 14.774 -4.910 -22.742 1.00 21.42 C ATOM 735 CD LYS A 48 13.264 -4.822 -22.887 1.00 24.00 C ATOM 736 CE LYS A 48 12.868 -4.001 -24.105 1.00 64.10 C ATOM 737 NZ LYS A 48 12.689 -2.561 -23.768 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.848 -7.398 -19.933 1.00 15.21 H new ATOM 0 HA LYS A 48 16.830 -6.483 -22.426 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.466 -6.350 -21.191 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.088 -4.811 -20.629 1.00 15.03 H new ATOM 0 HG2 LYS A 48 15.205 -3.911 -22.806 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.187 -5.489 -23.568 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.846 -5.825 -22.972 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.837 -4.374 -21.990 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.633 -4.102 -24.875 1.00 64.10 H new ATOM 0 HE3 LYS A 48 11.941 -4.394 -24.523 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 12.420 -2.035 -24.624 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 11.942 -2.462 -23.051 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 13.581 -2.179 -23.393 1.00 1.32 H new ATOM 751 N SER A 49 18.482 -4.711 -21.975 1.00 43.44 N ATOM 752 CA SER A 49 19.494 -3.688 -21.737 1.00 72.14 C ATOM 753 C SER A 49 19.229 -2.453 -22.593 1.00 60.13 C ATOM 754 O SER A 49 18.585 -2.535 -23.639 1.00 5.42 O ATOM 755 CB SER A 49 20.889 -4.240 -22.036 1.00 41.12 C ATOM 756 OG SER A 49 21.879 -3.558 -21.286 1.00 21.32 O ATOM 0 H SER A 49 18.525 -5.139 -22.900 1.00 43.44 H new ATOM 0 HA SER A 49 19.443 -3.399 -20.687 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.920 -5.304 -21.802 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.102 -4.141 -23.100 1.00 41.12 H new ATOM 0 HG SER A 49 22.761 -3.930 -21.494 1.00 21.32 H new ATOM 762 N HIS A 50 19.732 -1.309 -22.141 1.00 41.43 N ATOM 763 CA HIS A 50 19.551 -0.055 -22.865 1.00 30.33 C ATOM 764 C HIS A 50 20.057 -0.179 -24.299 1.00 5.15 C ATOM 765 O HIS A 50 19.601 0.535 -25.192 1.00 32.14 O ATOM 766 CB HIS A 50 20.283 1.081 -22.150 1.00 41.03 C ATOM 767 CG HIS A 50 21.773 0.937 -22.164 1.00 40.43 C ATOM 768 ND1 HIS A 50 22.629 1.994 -22.389 1.00 11.43 N ATOM 769 CD2 HIS A 50 22.560 -0.149 -21.978 1.00 70.45 C ATOM 770 CE1 HIS A 50 23.878 1.565 -22.343 1.00 0.03 C ATOM 771 NE2 HIS A 50 23.863 0.268 -22.094 1.00 34.54 N ATOM 0 H HIS A 50 20.268 -1.224 -21.277 1.00 41.43 H new ATOM 0 HA HIS A 50 18.485 0.170 -22.892 1.00 30.33 H new ATOM 0 HB2 HIS A 50 20.014 2.027 -22.619 1.00 41.03 H new ATOM 0 HB3 HIS A 50 19.941 1.129 -21.116 1.00 41.03 H new ATOM 0 HD2 HIS A 50 22.225 -1.156 -21.776 1.00 70.45 H new ATOM 0 HE1 HIS A 50 24.760 2.171 -22.485 1.00 0.03 H new ATOM 0 HE2 HIS A 50 24.686 -0.327 -22.003 1.00 34.54 H new ATOM 779 N ASN A 51 21.003 -1.088 -24.512 1.00 15.24 N ATOM 780 CA ASN A 51 21.572 -1.303 -25.837 1.00 64.25 C ATOM 781 C ASN A 51 20.768 -2.343 -26.612 1.00 63.54 C ATOM 782 O ASN A 51 20.391 -2.120 -27.762 1.00 35.54 O ATOM 783 CB ASN A 51 23.030 -1.752 -25.722 1.00 63.32 C ATOM 784 CG ASN A 51 23.850 -1.372 -26.941 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.869 -0.212 -27.353 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.531 -2.351 -27.524 1.00 71.10 N ATOM 0 H ASN A 51 21.392 -1.687 -23.784 1.00 15.24 H new ATOM 0 HA ASN A 51 21.531 -0.359 -26.380 1.00 64.25 H new ATOM 0 HB2 ASN A 51 23.476 -1.305 -24.834 1.00 63.32 H new ATOM 0 HB3 ASN A 51 23.065 -2.833 -25.587 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.100 -2.156 -28.348 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.486 -3.298 -27.148 1.00 71.10 H new ATOM 793 N ASP A 52 20.509 -3.478 -25.973 1.00 2.33 N ATOM 794 CA ASP A 52 19.748 -4.553 -26.600 1.00 51.51 C ATOM 795 C ASP A 52 19.441 -5.659 -25.597 1.00 40.41 C ATOM 796 O ASP A 52 19.716 -5.524 -24.404 1.00 50.31 O ATOM 797 CB ASP A 52 20.520 -5.126 -27.790 1.00 20.42 C ATOM 798 CG ASP A 52 21.867 -5.692 -27.387 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.894 -6.622 -26.553 1.00 62.02 O1- ATOM 800 OD2 ASP A 52 22.895 -5.205 -27.904 1.00 62.31 O ATOM 0 H ASP A 52 20.815 -3.678 -25.021 1.00 2.33 H new ATOM 0 HA ASP A 52 18.805 -4.138 -26.954 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.926 -5.909 -28.262 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.666 -4.344 -28.535 1.00 20.42 H new ATOM 805 N PHE A 53 18.868 -6.753 -26.087 1.00 23.22 N ATOM 806 CA PHE A 53 18.521 -7.883 -25.232 1.00 74.32 C ATOM 807 C PHE A 53 19.712 -8.820 -25.060 1.00 74.52 C ATOM 808 O PHE A 53 20.539 -8.965 -25.960 1.00 63.11 O ATOM 809 CB PHE A 53 17.335 -8.650 -25.822 1.00 20.02 C ATOM 810 CG PHE A 53 16.103 -7.809 -25.995 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.968 -6.974 -27.093 1.00 41.23 C ATOM 812 CD2 PHE A 53 15.081 -7.853 -25.062 1.00 71.15 C ATOM 813 CE1 PHE A 53 14.835 -6.198 -27.255 1.00 25.13 C ATOM 814 CE2 PHE A 53 13.946 -7.079 -25.218 1.00 34.33 C ATOM 815 CZ PHE A 53 13.823 -6.252 -26.317 1.00 23.43 C ATOM 0 H PHE A 53 18.634 -6.882 -27.071 1.00 23.22 H new ATOM 0 HA PHE A 53 18.243 -7.494 -24.252 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.623 -9.061 -26.790 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.100 -9.495 -25.174 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.756 -6.929 -27.830 1.00 41.23 H new ATOM 0 HD2 PHE A 53 15.171 -8.500 -24.202 1.00 71.15 H new ATOM 0 HE1 PHE A 53 14.742 -5.550 -28.114 1.00 25.13 H new ATOM 0 HE2 PHE A 53 13.157 -7.121 -24.482 1.00 34.33 H new ATOM 0 HZ PHE A 53 12.936 -5.648 -26.443 1.00 23.43 H new ATOM 825 N VAL A 54 19.794 -9.456 -23.895 1.00 60.01 N ATOM 826 CA VAL A 54 20.883 -10.380 -23.602 1.00 21.43 C ATOM 827 C VAL A 54 20.440 -11.459 -22.621 1.00 43.31 C ATOM 828 O VAL A 54 19.431 -11.309 -21.932 1.00 73.14 O ATOM 829 CB VAL A 54 22.104 -9.642 -23.020 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.718 -8.721 -24.063 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.711 -8.864 -21.774 1.00 4.03 C ATOM 0 H VAL A 54 19.118 -9.348 -23.139 1.00 60.01 H new ATOM 0 HA VAL A 54 21.165 -10.846 -24.546 1.00 21.43 H new ATOM 0 HB VAL A 54 22.854 -10.381 -22.737 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.579 -8.208 -23.634 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.037 -9.308 -24.924 1.00 42.10 H new ATOM 0 HG13 VAL A 54 21.978 -7.986 -24.380 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.585 -8.349 -21.376 1.00 4.03 H new ATOM 0 HG22 VAL A 54 20.944 -8.133 -22.028 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.322 -9.552 -21.023 1.00 4.03 H new ATOM 841 N ALA A 55 21.200 -12.547 -22.564 1.00 4.51 N ATOM 842 CA ALA A 55 20.888 -13.651 -21.665 1.00 54.01 C ATOM 843 C ALA A 55 22.111 -14.061 -20.852 1.00 32.03 C ATOM 844 O ALA A 55 23.244 -13.957 -21.323 1.00 42.01 O ATOM 845 CB ALA A 55 20.353 -14.838 -22.453 1.00 40.42 C ATOM 0 H ALA A 55 22.037 -12.688 -23.130 1.00 4.51 H new ATOM 0 HA ALA A 55 20.119 -13.314 -20.970 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.124 -15.655 -21.769 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.447 -14.544 -22.983 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.104 -15.166 -23.172 1.00 40.42 H new ATOM 851 N ILE A 56 21.875 -14.526 -19.630 1.00 34.40 N ATOM 852 CA ILE A 56 22.959 -14.952 -18.753 1.00 21.40 C ATOM 853 C ILE A 56 22.599 -16.240 -18.020 1.00 72.24 C ATOM 854 O ILE A 56 21.643 -16.280 -17.244 1.00 72.43 O ATOM 855 CB ILE A 56 23.305 -13.865 -17.718 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.649 -12.551 -18.422 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.460 -14.320 -16.839 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.920 -12.618 -19.239 1.00 74.44 C ATOM 0 H ILE A 56 20.943 -14.617 -19.225 1.00 34.40 H new ATOM 0 HA ILE A 56 23.828 -15.128 -19.387 1.00 21.40 H new ATOM 0 HB ILE A 56 22.435 -13.698 -17.083 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.822 -12.270 -19.074 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.748 -11.763 -17.675 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.693 -13.541 -16.113 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.180 -15.234 -16.315 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.336 -14.511 -17.459 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.101 -11.652 -19.709 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.758 -12.868 -18.588 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.818 -13.383 -20.009 1.00 74.44 H new ATOM 870 N LEU A 57 23.372 -17.291 -18.270 1.00 23.15 N ATOM 871 CA LEU A 57 23.137 -18.582 -17.632 1.00 22.42 C ATOM 872 C LEU A 57 24.430 -19.386 -17.537 1.00 52.54 C ATOM 873 O LEU A 57 25.175 -19.499 -18.510 1.00 60.35 O ATOM 874 CB LEU A 57 22.086 -19.375 -18.412 1.00 74.01 C ATOM 875 CG LEU A 57 22.032 -19.116 -19.918 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.540 -20.352 -20.655 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.141 -17.921 -20.223 1.00 20.50 C ATOM 0 H LEU A 57 24.166 -17.275 -18.910 1.00 23.15 H new ATOM 0 HA LEU A 57 22.770 -18.399 -16.622 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.269 -20.438 -18.253 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.106 -19.154 -17.990 1.00 74.01 H new ATOM 0 HG LEU A 57 23.040 -18.889 -20.264 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.508 -20.149 -21.725 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.218 -21.184 -20.464 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.541 -20.611 -20.305 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.115 -17.752 -21.300 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.132 -18.118 -19.862 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.537 -17.035 -19.726 1.00 20.50 H new ATOM 889 N ASP A 58 24.688 -19.943 -16.359 1.00 34.22 N ATOM 890 CA ASP A 58 25.889 -20.740 -16.137 1.00 0.11 C ATOM 891 C ASP A 58 25.779 -22.094 -16.831 1.00 63.43 C ATOM 892 O ASP A 58 25.050 -22.978 -16.380 1.00 41.24 O ATOM 893 CB ASP A 58 26.126 -20.939 -14.639 1.00 24.31 C ATOM 894 CG ASP A 58 24.876 -21.393 -13.911 1.00 42.33 C ATOM 895 OD1 ASP A 58 24.647 -22.618 -13.834 1.00 22.34 O1- ATOM 896 OD2 ASP A 58 24.126 -20.524 -13.419 1.00 2.41 O ATOM 0 H ASP A 58 24.082 -19.857 -15.543 1.00 34.22 H new ATOM 0 HA ASP A 58 26.736 -20.201 -16.562 1.00 0.11 H new ATOM 0 HB2 ASP A 58 26.916 -21.676 -14.494 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.478 -20.004 -14.202 1.00 24.31 H new ATOM 901 N LEU A 59 26.507 -22.250 -17.932 1.00 33.22 N ATOM 902 CA LEU A 59 26.491 -23.496 -18.690 1.00 60.20 C ATOM 903 C LEU A 59 27.835 -24.211 -18.591 1.00 1.03 C ATOM 904 O LEU A 59 28.883 -23.592 -18.406 1.00 70.11 O ATOM 905 CB LEU A 59 26.154 -23.219 -20.156 1.00 32.04 C ATOM 906 CG LEU A 59 24.982 -22.270 -20.408 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.038 -21.716 -21.823 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.658 -22.980 -20.164 1.00 1.32 C ATOM 0 H LEU A 59 27.116 -21.529 -18.319 1.00 33.22 H new ATOM 0 HA LEU A 59 25.724 -24.143 -18.263 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.040 -22.807 -20.640 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.937 -24.169 -20.644 1.00 32.04 H new ATOM 0 HG LEU A 59 25.059 -21.436 -19.710 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.196 -21.043 -21.984 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.971 -21.170 -21.963 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.987 -22.537 -22.538 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.835 -22.289 -20.348 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.573 -23.833 -20.837 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.616 -23.327 -19.132 1.00 1.32 H new ATOM 920 N PRO A 60 27.806 -25.545 -18.720 1.00 53.42 N ATOM 921 CA PRO A 60 29.014 -26.373 -18.651 1.00 72.32 C ATOM 922 C PRO A 60 29.920 -26.178 -19.862 1.00 43.23 C ATOM 923 O PRO A 60 29.458 -25.801 -20.939 1.00 43.11 O ATOM 924 CB PRO A 60 28.463 -27.801 -18.619 1.00 45.22 C ATOM 925 CG PRO A 60 27.133 -27.710 -19.284 1.00 34.34 C ATOM 926 CD PRO A 60 26.592 -26.349 -18.942 1.00 31.23 C ATOM 0 HA PRO A 60 29.633 -26.121 -17.790 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.122 -28.491 -19.145 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.370 -28.166 -17.596 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.227 -27.833 -20.363 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.465 -28.496 -18.931 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.984 -25.944 -19.751 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.962 -26.379 -18.053 1.00 31.23 H new ATOM 934 N GLU A 61 31.210 -26.438 -19.678 1.00 34.34 N ATOM 935 CA GLU A 61 32.180 -26.290 -20.757 1.00 51.40 C ATOM 936 C GLU A 61 31.873 -27.253 -21.900 1.00 71.00 C ATOM 937 O GLU A 61 32.017 -28.467 -21.759 1.00 52.22 O ATOM 938 CB GLU A 61 33.598 -26.536 -20.235 1.00 14.52 C ATOM 939 CG GLU A 61 34.643 -26.627 -21.334 1.00 12.24 C ATOM 940 CD GLU A 61 34.948 -28.058 -21.732 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.056 -28.914 -20.829 1.00 62.21 O ATOM 942 OE2 GLU A 61 35.080 -28.322 -22.945 1.00 14.15 O1- ATOM 0 H GLU A 61 31.608 -26.752 -18.793 1.00 34.34 H new ATOM 0 HA GLU A 61 32.112 -25.270 -21.136 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.870 -25.731 -19.552 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.608 -27.460 -19.658 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.294 -26.077 -22.208 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.561 -26.144 -20.999 1.00 12.24 H new ATOM 949 N GLY A 62 31.448 -26.702 -23.033 1.00 75.14 N ATOM 950 CA GLY A 62 31.127 -27.525 -24.184 1.00 3.44 C ATOM 951 C GLY A 62 30.359 -26.763 -25.246 1.00 3.40 C ATOM 952 O GLY A 62 30.347 -25.532 -25.248 1.00 30.13 O ATOM 0 H GLY A 62 31.320 -25.700 -23.174 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.049 -27.915 -24.616 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.538 -28.383 -23.860 1.00 3.44 H new ATOM 956 N GLU A 63 29.718 -27.495 -26.151 1.00 44.04 N ATOM 957 CA GLU A 63 28.946 -26.879 -27.224 1.00 31.31 C ATOM 958 C GLU A 63 27.460 -27.188 -27.072 1.00 34.40 C ATOM 959 O GLU A 63 27.093 -28.359 -26.988 1.00 55.14 O ATOM 960 CB GLU A 63 29.443 -27.369 -28.585 1.00 71.45 C ATOM 961 CG GLU A 63 28.618 -26.858 -29.754 1.00 41.01 C ATOM 962 CD GLU A 63 29.007 -27.505 -31.070 1.00 64.35 C ATOM 963 OE1 GLU A 63 30.077 -27.153 -31.609 1.00 13.32 O ATOM 964 OE2 GLU A 63 28.242 -28.361 -31.560 1.00 63.41 O1- ATOM 0 H GLU A 63 29.718 -28.515 -26.163 1.00 44.04 H new ATOM 0 HA GLU A 63 29.083 -25.799 -27.162 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.479 -27.057 -28.718 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.435 -28.459 -28.594 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.562 -27.047 -29.559 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.739 -25.778 -29.835 1.00 41.01 H new ATOM 971 N HIS A 64 26.646 -26.143 -27.039 1.00 11.42 N ATOM 972 CA HIS A 64 25.211 -26.316 -26.897 1.00 43.11 C ATOM 973 C HIS A 64 24.488 -25.539 -27.999 1.00 20.11 C ATOM 974 O HIS A 64 25.067 -24.704 -28.694 1.00 22.41 O ATOM 975 CB HIS A 64 24.752 -25.917 -25.492 1.00 0.52 C ATOM 976 CG HIS A 64 25.880 -25.752 -24.502 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.185 -26.706 -23.547 1.00 23.24 N ATOM 978 CD2 HIS A 64 26.772 -24.735 -24.328 1.00 51.01 C ATOM 979 CE1 HIS A 64 27.215 -26.273 -22.836 1.00 5.41 C ATOM 980 NE2 HIS A 64 27.578 -25.050 -23.322 1.00 33.03 N ATOM 0 H HIS A 64 26.954 -25.173 -27.108 1.00 11.42 H new ATOM 0 HA HIS A 64 24.955 -27.369 -27.015 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.197 -24.981 -25.554 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.061 -26.673 -25.118 1.00 0.52 H new ATOM 0 HD1 HIS A 64 25.699 -27.593 -23.413 1.00 23.24 H new ATOM 0 HD2 HIS A 64 26.815 -23.827 -24.911 1.00 51.01 H new ATOM 0 HE1 HIS A 64 27.685 -26.795 -22.016 1.00 5.41 H new ATOM 988 N GLN A 65 23.201 -25.835 -28.144 1.00 1.42 N ATOM 989 CA GLN A 65 22.375 -25.181 -29.152 1.00 75.43 C ATOM 990 C GLN A 65 21.155 -24.524 -28.514 1.00 40.13 C ATOM 991 O GLN A 65 20.386 -25.175 -27.808 1.00 52.02 O ATOM 992 CB GLN A 65 21.931 -26.191 -30.211 1.00 73.02 C ATOM 993 CG GLN A 65 22.853 -26.253 -31.418 1.00 71.31 C ATOM 994 CD GLN A 65 22.925 -27.639 -32.027 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.298 -27.914 -33.050 1.00 5.51 O ATOM 996 NE2 GLN A 65 23.694 -28.522 -31.399 1.00 53.03 N ATOM 0 H GLN A 65 22.707 -26.524 -27.576 1.00 1.42 H new ATOM 0 HA GLN A 65 22.974 -24.405 -29.629 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.874 -27.180 -29.756 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.925 -25.936 -30.545 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.506 -25.547 -32.172 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.854 -25.938 -31.123 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.196 -28.251 -30.554 1.00 53.03 H new ATOM 0 HE22 GLN A 65 23.782 -29.471 -31.762 1.00 53.03 H new ATOM 1005 N TYR A 66 20.985 -23.232 -28.768 1.00 4.15 N ATOM 1006 CA TYR A 66 19.860 -22.486 -28.217 1.00 72.34 C ATOM 1007 C TYR A 66 19.001 -21.893 -29.330 1.00 74.34 C ATOM 1008 O TYR A 66 19.314 -22.031 -30.513 1.00 1.32 O ATOM 1009 CB TYR A 66 20.361 -21.372 -27.296 1.00 10.24 C ATOM 1010 CG TYR A 66 21.171 -20.314 -28.010 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.494 -20.545 -28.366 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.612 -19.083 -28.331 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.238 -19.581 -29.018 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.348 -18.113 -28.985 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.660 -18.367 -29.325 1.00 22.23 C ATOM 1016 OH TYR A 66 23.397 -17.404 -29.976 1.00 12.33 O ATOM 0 H TYR A 66 21.612 -22.679 -29.352 1.00 4.15 H new ATOM 0 HA TYR A 66 19.247 -23.178 -27.639 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.506 -20.899 -26.814 1.00 10.24 H new ATOM 0 HB3 TYR A 66 20.970 -21.812 -26.506 1.00 10.24 H new ATOM 0 HD1 TYR A 66 22.949 -21.495 -28.129 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.585 -18.881 -28.065 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.266 -19.777 -29.286 1.00 2.40 H new ATOM 0 HE2 TYR A 66 20.898 -17.162 -29.228 1.00 71.43 H new ATOM 0 HH TYR A 66 22.843 -16.609 -30.119 1.00 12.33 H new ATOM 1026 N LYS A 67 17.917 -21.230 -28.942 1.00 53.20 N ATOM 1027 CA LYS A 67 17.012 -20.613 -29.904 1.00 62.12 C ATOM 1028 C LYS A 67 16.321 -19.396 -29.298 1.00 21.43 C ATOM 1029 O LYS A 67 15.984 -19.387 -28.114 1.00 63.05 O ATOM 1030 CB LYS A 67 15.965 -21.626 -30.374 1.00 52.15 C ATOM 1031 CG LYS A 67 15.075 -21.107 -31.489 1.00 4.31 C ATOM 1032 CD LYS A 67 15.777 -21.164 -32.836 1.00 75.43 C ATOM 1033 CE LYS A 67 14.925 -20.547 -33.935 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.820 -21.453 -34.355 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.644 -21.106 -27.967 1.00 53.20 H new ATOM 0 HA LYS A 67 17.601 -20.285 -30.760 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.472 -22.528 -30.716 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.342 -21.912 -29.526 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.160 -21.697 -31.530 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.782 -20.079 -31.274 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.729 -20.638 -32.774 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.002 -22.201 -33.087 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.507 -19.603 -33.584 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.553 -20.317 -34.796 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.105 -20.909 -34.878 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.200 -22.204 -34.967 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.383 -21.880 -33.514 1.00 33.33 H new ATOM 1048 N PHE A 68 16.111 -18.371 -30.117 1.00 0.13 N ATOM 1049 CA PHE A 68 15.459 -17.149 -29.661 1.00 34.41 C ATOM 1050 C PHE A 68 13.949 -17.228 -29.868 1.00 74.51 C ATOM 1051 O PHE A 68 13.470 -17.915 -30.771 1.00 43.04 O ATOM 1052 CB PHE A 68 16.024 -15.937 -30.405 1.00 21.54 C ATOM 1053 CG PHE A 68 17.387 -15.524 -29.930 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.664 -15.429 -28.575 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.392 -15.231 -30.837 1.00 24.44 C ATOM 1056 CE1 PHE A 68 18.918 -15.050 -28.135 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.648 -14.852 -30.402 1.00 64.40 C ATOM 1058 CZ PHE A 68 19.911 -14.760 -29.049 1.00 60.24 C ATOM 0 H PHE A 68 16.383 -18.362 -31.100 1.00 0.13 H new ATOM 0 HA PHE A 68 15.656 -17.037 -28.595 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.073 -16.165 -31.470 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.338 -15.098 -30.290 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.891 -15.654 -27.855 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.192 -15.299 -31.896 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.121 -14.981 -27.077 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.423 -14.628 -31.120 1.00 64.40 H new ATOM 0 HZ PHE A 68 20.891 -14.462 -28.707 1.00 60.24 H new ATOM 1068 N PHE A 69 13.204 -16.521 -29.024 1.00 64.40 N ATOM 1069 CA PHE A 69 11.749 -16.512 -29.112 1.00 63.41 C ATOM 1070 C PHE A 69 11.202 -15.099 -28.933 1.00 34.32 C ATOM 1071 O PHE A 69 11.004 -14.635 -27.810 1.00 62.44 O ATOM 1072 CB PHE A 69 11.147 -17.441 -28.056 1.00 5.13 C ATOM 1073 CG PHE A 69 9.646 -17.489 -28.084 1.00 23.30 C ATOM 1074 CD1 PHE A 69 8.984 -18.376 -28.917 1.00 42.11 C ATOM 1075 CD2 PHE A 69 8.898 -16.647 -27.278 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.603 -18.421 -28.946 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.516 -16.687 -27.302 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.868 -17.577 -28.137 1.00 3.22 C ATOM 0 H PHE A 69 13.584 -15.947 -28.272 1.00 64.40 H new ATOM 0 HA PHE A 69 11.468 -16.869 -30.103 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.537 -18.448 -28.205 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.474 -17.115 -27.068 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.553 -19.040 -29.551 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.400 -15.951 -26.623 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.099 -19.116 -29.601 1.00 52.12 H new ATOM 0 HE2 PHE A 69 6.944 -16.024 -26.669 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.789 -17.613 -28.157 1.00 3.22 H new ATOM 1088 N VAL A 70 10.961 -14.419 -30.050 1.00 51.23 N ATOM 1089 CA VAL A 70 10.436 -13.059 -30.018 1.00 53.12 C ATOM 1090 C VAL A 70 9.153 -12.945 -30.834 1.00 13.23 C ATOM 1091 O VAL A 70 8.956 -13.675 -31.805 1.00 23.10 O ATOM 1092 CB VAL A 70 11.466 -12.048 -30.557 1.00 52.31 C ATOM 1093 CG1 VAL A 70 10.987 -10.623 -30.325 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.824 -12.274 -29.910 1.00 41.35 C ATOM 0 H VAL A 70 11.121 -14.788 -30.988 1.00 51.23 H new ATOM 0 HA VAL A 70 10.221 -12.827 -28.975 1.00 53.12 H new ATOM 0 HB VAL A 70 11.571 -12.201 -31.631 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.727 -9.923 -30.712 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.038 -10.470 -30.840 1.00 23.12 H new ATOM 0 HG13 VAL A 70 10.852 -10.454 -29.257 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.539 -11.551 -30.303 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.738 -12.150 -28.831 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.170 -13.284 -30.133 1.00 41.35 H new ATOM 1104 N ASP A 71 8.284 -12.024 -30.433 1.00 3.15 N ATOM 1105 CA ASP A 71 7.019 -11.813 -31.127 1.00 54.03 C ATOM 1106 C ASP A 71 6.136 -13.054 -31.038 1.00 20.14 C ATOM 1107 O ASP A 71 5.357 -13.341 -31.945 1.00 62.44 O ATOM 1108 CB ASP A 71 7.271 -11.456 -32.593 1.00 64.34 C ATOM 1109 CG ASP A 71 6.147 -10.633 -33.190 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.950 -9.483 -32.743 1.00 63.53 O ATOM 1111 OD2 ASP A 71 5.464 -11.138 -34.105 1.00 51.33 O1- ATOM 0 H ASP A 71 8.432 -11.412 -29.631 1.00 3.15 H new ATOM 0 HA ASP A 71 6.501 -10.985 -30.643 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.206 -10.901 -32.673 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.393 -12.372 -33.171 1.00 64.34 H new ATOM 1116 N GLY A 72 6.265 -13.788 -29.936 1.00 2.30 N ATOM 1117 CA GLY A 72 5.474 -14.990 -29.749 1.00 30.24 C ATOM 1118 C GLY A 72 5.817 -16.073 -30.753 1.00 72.25 C ATOM 1119 O GLY A 72 4.954 -16.853 -31.153 1.00 21.11 O ATOM 0 H GLY A 72 6.903 -13.571 -29.170 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.632 -15.371 -28.740 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.416 -14.742 -29.834 1.00 30.24 H new ATOM 1123 N GLN A 73 7.081 -16.119 -31.162 1.00 45.23 N ATOM 1124 CA GLN A 73 7.536 -17.112 -32.127 1.00 20.11 C ATOM 1125 C GLN A 73 9.043 -17.323 -32.024 1.00 25.04 C ATOM 1126 O GLN A 73 9.780 -16.418 -31.631 1.00 32.35 O ATOM 1127 CB GLN A 73 7.165 -16.681 -33.547 1.00 33.33 C ATOM 1128 CG GLN A 73 7.919 -15.451 -34.026 1.00 51.12 C ATOM 1129 CD GLN A 73 7.699 -15.168 -35.499 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.414 -16.075 -36.281 1.00 52.31 O ATOM 1131 NE2 GLN A 73 7.831 -13.905 -35.885 1.00 32.52 N ATOM 0 H GLN A 73 7.808 -15.480 -30.840 1.00 45.23 H new ATOM 0 HA GLN A 73 7.040 -18.056 -31.900 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.361 -17.506 -34.231 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.095 -16.480 -33.589 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.603 -14.586 -33.443 1.00 51.12 H new ATOM 0 HG3 GLN A 73 8.984 -15.588 -33.842 1.00 51.12 H new ATOM 0 HE21 GLN A 73 8.068 -13.185 -35.202 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.695 -13.654 -36.864 1.00 32.52 H new ATOM 1140 N TRP A 74 9.493 -18.521 -32.378 1.00 23.22 N ATOM 1141 CA TRP A 74 10.913 -18.850 -32.324 1.00 12.20 C ATOM 1142 C TRP A 74 11.645 -18.300 -33.543 1.00 60.11 C ATOM 1143 O TRP A 74 11.382 -18.709 -34.674 1.00 24.22 O ATOM 1144 CB TRP A 74 11.104 -20.365 -32.239 1.00 50.12 C ATOM 1145 CG TRP A 74 10.617 -20.953 -30.949 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.411 -21.554 -30.726 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.324 -20.995 -29.705 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.326 -21.967 -29.418 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.487 -21.636 -28.771 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.583 -20.554 -29.289 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.870 -21.845 -27.449 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 12.962 -20.762 -27.977 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.108 -21.404 -27.069 1.00 52.42 C ATOM 0 H TRP A 74 8.896 -19.280 -32.705 1.00 23.22 H new ATOM 0 HA TRP A 74 11.334 -18.388 -31.431 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.577 -20.838 -33.068 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.162 -20.598 -32.360 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.638 -21.685 -31.468 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.528 -22.443 -28.997 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.248 -20.059 -29.981 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.213 -22.338 -26.748 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.933 -20.424 -27.645 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.434 -21.553 -26.050 1.00 52.42 H new ATOM 1164 N VAL A 75 12.567 -17.372 -33.307 1.00 42.22 N ATOM 1165 CA VAL A 75 13.338 -16.768 -34.386 1.00 53.15 C ATOM 1166 C VAL A 75 14.833 -16.980 -34.179 1.00 42.43 C ATOM 1167 O VAL A 75 15.261 -17.490 -33.143 1.00 15.11 O ATOM 1168 CB VAL A 75 13.056 -15.258 -34.501 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.583 -15.010 -34.787 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.491 -14.537 -33.234 1.00 33.52 C ATOM 0 H VAL A 75 12.798 -17.022 -32.377 1.00 42.22 H new ATOM 0 HA VAL A 75 13.029 -17.259 -35.309 1.00 53.15 H new ATOM 0 HB VAL A 75 13.635 -14.860 -35.335 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.403 -13.938 -34.865 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.308 -15.493 -35.725 1.00 25.31 H new ATOM 0 HG13 VAL A 75 10.981 -15.421 -33.977 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.284 -13.471 -33.333 1.00 33.52 H new ATOM 0 HG22 VAL A 75 12.941 -14.936 -32.381 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.559 -14.687 -33.079 1.00 33.52 H new ATOM 1180 N HIS A 76 15.625 -16.585 -35.171 1.00 54.12 N ATOM 1181 CA HIS A 76 17.074 -16.730 -35.096 1.00 10.02 C ATOM 1182 C HIS A 76 17.771 -15.689 -35.968 1.00 43.22 C ATOM 1183 O HIS A 76 17.173 -15.141 -36.895 1.00 33.44 O ATOM 1184 CB HIS A 76 17.490 -18.136 -35.531 1.00 62.13 C ATOM 1185 CG HIS A 76 17.343 -18.376 -37.002 1.00 63.23 C ATOM 1186 ND1 HIS A 76 16.348 -19.165 -37.540 1.00 33.14 N ATOM 1187 CD2 HIS A 76 18.071 -17.925 -38.050 1.00 1.42 C ATOM 1188 CE1 HIS A 76 16.471 -19.190 -38.855 1.00 52.22 C ATOM 1189 NE2 HIS A 76 17.510 -18.445 -39.190 1.00 14.42 N ATOM 0 H HIS A 76 15.288 -16.162 -36.036 1.00 54.12 H new ATOM 0 HA HIS A 76 17.377 -16.573 -34.061 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.529 -18.303 -35.246 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.889 -18.867 -34.990 1.00 62.13 H new ATOM 0 HD2 HIS A 76 18.933 -17.276 -37.999 1.00 1.42 H new ATOM 0 HE1 HIS A 76 15.832 -19.728 -39.540 1.00 52.22 H new ATOM 0 HE2 HIS A 76 17.841 -18.283 -40.141 1.00 14.42 H new ATOM 1197 N ASP A 77 19.036 -15.421 -35.665 1.00 61.11 N ATOM 1198 CA ASP A 77 19.813 -14.446 -36.420 1.00 41.41 C ATOM 1199 C ASP A 77 20.682 -15.137 -37.467 1.00 24.02 C ATOM 1200 O ASP A 77 21.351 -16.134 -37.194 1.00 23.04 O ATOM 1201 CB ASP A 77 20.689 -13.620 -35.478 1.00 44.44 C ATOM 1202 CG ASP A 77 20.893 -12.201 -35.972 1.00 1.12 C ATOM 1203 OD1 ASP A 77 19.888 -11.539 -36.305 1.00 34.33 O ATOM 1204 OD2 ASP A 77 22.057 -11.752 -36.023 1.00 10.11 O1- ATOM 0 H ASP A 77 19.545 -15.866 -34.901 1.00 61.11 H new ATOM 0 HA ASP A 77 19.117 -13.782 -36.932 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.231 -13.595 -34.489 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.658 -14.106 -35.368 1.00 44.44 H new ATOM 1209 N PRO A 78 20.671 -14.597 -38.695 1.00 15.43 N ATOM 1210 CA PRO A 78 21.452 -15.146 -39.807 1.00 4.43 C ATOM 1211 C PRO A 78 22.951 -14.938 -39.622 1.00 61.31 C ATOM 1212 O PRO A 78 23.764 -15.678 -40.177 1.00 23.50 O ATOM 1213 CB PRO A 78 20.948 -14.357 -41.018 1.00 61.03 C ATOM 1214 CG PRO A 78 20.445 -13.074 -40.451 1.00 70.11 C ATOM 1215 CD PRO A 78 19.897 -13.409 -39.091 1.00 31.15 C ATOM 0 HA PRO A 78 21.325 -16.225 -39.900 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.747 -14.185 -41.739 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.158 -14.896 -41.541 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.246 -12.339 -40.379 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.673 -12.642 -41.087 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.035 -12.587 -38.389 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.828 -13.620 -39.129 1.00 31.15 H new ATOM 1223 N SER A 79 23.311 -13.927 -38.838 1.00 34.01 N ATOM 1224 CA SER A 79 24.713 -13.620 -38.582 1.00 21.01 C ATOM 1225 C SER A 79 25.323 -14.630 -37.615 1.00 1.21 C ATOM 1226 O SER A 79 26.524 -14.896 -37.655 1.00 44.53 O ATOM 1227 CB SER A 79 24.852 -12.205 -38.015 1.00 32.35 C ATOM 1228 OG SER A 79 24.995 -11.251 -39.053 1.00 23.51 O ATOM 0 H SER A 79 22.651 -13.307 -38.369 1.00 34.01 H new ATOM 0 HA SER A 79 25.251 -13.679 -39.528 1.00 21.01 H new ATOM 0 HB2 SER A 79 23.976 -11.963 -37.413 1.00 32.35 H new ATOM 0 HB3 SER A 79 25.716 -12.159 -37.353 1.00 32.35 H new ATOM 0 HG SER A 79 25.080 -10.355 -38.665 1.00 23.51 H new ATOM 1234 N GLU A 80 24.486 -15.189 -36.747 1.00 41.40 N ATOM 1235 CA GLU A 80 24.942 -16.169 -35.769 1.00 72.34 C ATOM 1236 C GLU A 80 25.029 -17.559 -36.392 1.00 21.05 C ATOM 1237 O GLU A 80 24.426 -17.843 -37.427 1.00 74.53 O ATOM 1238 CB GLU A 80 24.000 -16.197 -34.563 1.00 2.30 C ATOM 1239 CG GLU A 80 24.366 -15.194 -33.482 1.00 10.13 C ATOM 1240 CD GLU A 80 25.791 -15.360 -32.991 1.00 3.42 C ATOM 1241 OE1 GLU A 80 26.005 -16.147 -32.045 1.00 15.10 O ATOM 1242 OE2 GLU A 80 26.693 -14.703 -33.553 1.00 21.22 O1- ATOM 0 H GLU A 80 23.489 -14.980 -36.701 1.00 41.40 H new ATOM 0 HA GLU A 80 25.938 -15.875 -35.436 1.00 72.34 H new ATOM 0 HB2 GLU A 80 22.983 -15.998 -34.902 1.00 2.30 H new ATOM 0 HB3 GLU A 80 24.003 -17.199 -34.133 1.00 2.30 H new ATOM 0 HG2 GLU A 80 24.234 -14.184 -33.869 1.00 10.13 H new ATOM 0 HG3 GLU A 80 23.681 -15.305 -32.642 1.00 10.13 H new ATOM 1249 N PRO A 81 25.800 -18.449 -35.748 1.00 13.13 N ATOM 1250 CA PRO A 81 25.985 -19.824 -36.220 1.00 34.44 C ATOM 1251 C PRO A 81 24.721 -20.664 -36.070 1.00 52.34 C ATOM 1252 O PRO A 81 24.566 -21.403 -35.098 1.00 32.21 O ATOM 1253 CB PRO A 81 27.095 -20.363 -35.314 1.00 71.33 C ATOM 1254 CG PRO A 81 27.001 -19.546 -34.072 1.00 70.53 C ATOM 1255 CD PRO A 81 26.548 -18.180 -34.508 1.00 61.31 C ATOM 0 HA PRO A 81 26.226 -19.861 -37.282 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.953 -21.423 -35.102 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.074 -20.260 -35.783 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.294 -19.985 -33.368 1.00 70.53 H new ATOM 0 HG3 PRO A 81 27.965 -19.494 -33.565 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.920 -17.705 -33.754 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.392 -17.514 -34.684 1.00 61.31 H new ATOM 1263 N VAL A 82 23.819 -20.545 -37.039 1.00 53.33 N ATOM 1264 CA VAL A 82 22.568 -21.294 -37.016 1.00 75.02 C ATOM 1265 C VAL A 82 22.708 -22.620 -37.756 1.00 72.11 C ATOM 1266 O VAL A 82 23.610 -22.794 -38.575 1.00 30.20 O ATOM 1267 CB VAL A 82 21.418 -20.486 -37.646 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.175 -19.204 -36.865 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.719 -20.182 -39.106 1.00 55.33 C ATOM 0 H VAL A 82 23.931 -19.937 -37.850 1.00 53.33 H new ATOM 0 HA VAL A 82 22.334 -21.488 -35.969 1.00 75.02 H new ATOM 0 HB VAL A 82 20.509 -21.086 -37.603 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.359 -18.647 -37.325 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.912 -19.449 -35.836 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.080 -18.596 -36.873 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.896 -19.611 -39.536 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.639 -19.601 -39.175 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.838 -21.116 -39.655 1.00 55.33 H new ATOM 1279 N VAL A 83 21.809 -23.553 -37.461 1.00 45.51 N ATOM 1280 CA VAL A 83 21.831 -24.864 -38.099 1.00 23.24 C ATOM 1281 C VAL A 83 20.447 -25.504 -38.087 1.00 60.32 C ATOM 1282 O VAL A 83 19.693 -25.363 -37.123 1.00 51.55 O ATOM 1283 CB VAL A 83 22.828 -25.810 -37.404 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.497 -25.943 -35.926 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.831 -27.172 -38.082 1.00 63.11 C ATOM 0 H VAL A 83 21.056 -23.426 -36.784 1.00 45.51 H new ATOM 0 HA VAL A 83 22.148 -24.709 -39.130 1.00 23.24 H new ATOM 0 HB VAL A 83 23.827 -25.383 -37.491 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.212 -26.615 -35.452 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.551 -24.963 -35.452 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.491 -26.346 -35.813 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.541 -27.828 -37.578 1.00 63.11 H new ATOM 0 HG22 VAL A 83 21.833 -27.608 -38.028 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.121 -27.058 -39.127 1.00 63.11 H new ATOM 1377 N ILE A 90 15.407 -24.614 -37.522 1.00 10.10 N ATOM 1378 CA ILE A 90 16.654 -23.866 -37.418 1.00 62.35 C ATOM 1379 C ILE A 90 16.911 -23.423 -35.982 1.00 75.12 C ATOM 1380 O ILE A 90 16.012 -22.923 -35.305 1.00 35.51 O ATOM 1381 CB ILE A 90 16.645 -22.627 -38.332 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.238 -23.018 -39.754 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.012 -21.959 -38.331 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.235 -23.927 -40.439 1.00 52.12 C ATOM 0 HA ILE A 90 17.452 -24.537 -37.737 1.00 62.35 H new ATOM 0 HB ILE A 90 15.914 -21.915 -37.948 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.268 -23.514 -39.722 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.114 -22.114 -40.350 1.00 0.30 H new ATOM 0 HG21 ILE A 90 17.990 -21.085 -38.982 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.265 -21.650 -37.317 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.761 -22.663 -38.694 1.00 75.22 H new ATOM 0 HD11 ILE A 90 16.882 -24.163 -41.443 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.201 -23.426 -40.503 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.342 -24.848 -39.866 1.00 52.12 H new ATOM 1396 N ASN A 91 18.144 -23.608 -35.523 1.00 74.31 N ATOM 1397 CA ASN A 91 18.520 -23.226 -34.166 1.00 40.23 C ATOM 1398 C ASN A 91 19.917 -22.611 -34.142 1.00 12.32 C ATOM 1399 O ASN A 91 20.725 -22.847 -35.039 1.00 61.32 O ATOM 1400 CB ASN A 91 18.470 -24.442 -33.239 1.00 75.11 C ATOM 1401 CG ASN A 91 19.122 -25.665 -33.854 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.627 -26.218 -34.836 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.238 -26.094 -33.276 1.00 13.21 N ATOM 0 H ASN A 91 18.900 -24.020 -36.070 1.00 74.31 H new ATOM 0 HA ASN A 91 17.807 -22.480 -33.814 1.00 40.23 H new ATOM 0 HB2 ASN A 91 18.969 -24.201 -32.301 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.432 -24.670 -32.998 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.721 -26.913 -33.645 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.612 -25.604 -32.463 1.00 13.21 H new ATOM 1410 N ASN A 92 20.192 -21.823 -33.108 1.00 4.32 N ATOM 1411 CA ASN A 92 21.491 -21.174 -32.966 1.00 54.51 C ATOM 1412 C ASN A 92 22.526 -22.145 -32.408 1.00 33.33 C ATOM 1413 O ASN A 92 22.206 -23.287 -32.075 1.00 14.13 O ATOM 1414 CB ASN A 92 21.376 -19.952 -32.053 1.00 61.45 C ATOM 1415 CG ASN A 92 20.661 -18.794 -32.723 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.548 -18.433 -32.341 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.300 -18.207 -33.728 1.00 23.44 N ATOM 0 H ASN A 92 19.534 -21.618 -32.356 1.00 4.32 H new ATOM 0 HA ASN A 92 21.818 -20.851 -33.954 1.00 54.51 H new ATOM 0 HB2 ASN A 92 20.841 -20.229 -31.145 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.373 -19.633 -31.750 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.869 -17.423 -34.218 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.222 -18.540 -34.010 1.00 23.44 H new ATOM 1424 N LEU A 93 23.767 -21.684 -32.306 1.00 32.05 N ATOM 1425 CA LEU A 93 24.851 -22.511 -31.786 1.00 34.14 C ATOM 1426 C LEU A 93 25.747 -21.708 -30.849 1.00 2.14 C ATOM 1427 O LEU A 93 26.118 -20.574 -31.150 1.00 5.21 O ATOM 1428 CB LEU A 93 25.680 -23.083 -32.938 1.00 74.14 C ATOM 1429 CG LEU A 93 26.902 -23.911 -32.539 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.488 -25.087 -31.668 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.645 -24.395 -33.775 1.00 72.43 C ATOM 0 H LEU A 93 24.048 -20.742 -32.576 1.00 32.05 H new ATOM 0 HA LEU A 93 24.410 -23.332 -31.221 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.030 -23.705 -33.553 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.015 -22.256 -33.564 1.00 74.14 H new ATOM 0 HG LEU A 93 27.574 -23.277 -31.961 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.370 -25.665 -31.394 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.001 -24.718 -30.765 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.795 -25.722 -32.220 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.512 -24.982 -33.472 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.981 -25.013 -34.380 1.00 72.43 H new ATOM 0 HD23 LEU A 93 27.975 -23.537 -34.360 1.00 72.43 H new ATOM 1443 N ILE A 94 26.093 -22.306 -29.714 1.00 14.30 N ATOM 1444 CA ILE A 94 26.949 -21.648 -28.734 1.00 21.03 C ATOM 1445 C ILE A 94 28.085 -22.564 -28.293 1.00 2.32 C ATOM 1446 O ILE A 94 27.907 -23.777 -28.172 1.00 25.24 O ATOM 1447 CB ILE A 94 26.149 -21.206 -27.495 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.075 -20.538 -26.475 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.437 -22.397 -26.871 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.450 -19.349 -25.780 1.00 45.44 C ATOM 0 H ILE A 94 25.794 -23.245 -29.450 1.00 14.30 H new ATOM 0 HA ILE A 94 27.366 -20.766 -29.220 1.00 21.03 H new ATOM 0 HB ILE A 94 25.397 -20.480 -27.806 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.368 -21.274 -25.726 1.00 25.24 H new ATOM 0 HG13 ILE A 94 27.986 -20.216 -26.979 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.876 -22.068 -25.996 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.752 -22.834 -27.598 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.172 -23.144 -26.571 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.162 -18.926 -25.072 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.182 -18.595 -26.520 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.555 -19.669 -25.247 1.00 45.44 H new ATOM 1462 N HIS A 95 29.252 -21.976 -28.051 1.00 34.15 N ATOM 1463 CA HIS A 95 30.418 -22.740 -27.620 1.00 64.32 C ATOM 1464 C HIS A 95 31.024 -22.138 -26.355 1.00 64.02 C ATOM 1465 O HIS A 95 31.566 -21.034 -26.379 1.00 35.41 O ATOM 1466 CB HIS A 95 31.467 -22.781 -28.732 1.00 24.45 C ATOM 1467 CG HIS A 95 30.890 -23.040 -30.090 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.538 -22.032 -30.962 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.605 -24.201 -30.724 1.00 34.13 C ATOM 1470 CE1 HIS A 95 30.061 -22.562 -32.074 1.00 5.54 C ATOM 1471 NE2 HIS A 95 30.091 -23.877 -31.956 1.00 74.23 N ATOM 0 H HIS A 95 29.416 -20.974 -28.146 1.00 34.15 H new ATOM 0 HA HIS A 95 30.094 -23.757 -27.399 1.00 64.32 H new ATOM 0 HB2 HIS A 95 32.004 -21.832 -28.749 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.198 -23.557 -28.503 1.00 24.45 H new ATOM 0 HD1 HIS A 95 30.631 -21.033 -30.777 1.00 4.01 H new ATOM 0 HD2 HIS A 95 30.754 -25.197 -30.334 1.00 34.13 H new ATOM 0 HE1 HIS A 95 29.707 -22.013 -32.934 1.00 5.54 H new ATOM 1479 N VAL A 96 30.927 -22.873 -25.251 1.00 71.10 N ATOM 1480 CA VAL A 96 31.465 -22.412 -23.977 1.00 11.24 C ATOM 1481 C VAL A 96 32.782 -23.110 -23.653 1.00 23.32 C ATOM 1482 O VAL A 96 32.963 -24.289 -23.955 1.00 52.24 O ATOM 1483 CB VAL A 96 30.471 -22.656 -22.827 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.076 -22.230 -21.498 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.165 -21.920 -23.087 1.00 41.02 C ATOM 0 H VAL A 96 30.481 -23.790 -25.214 1.00 71.10 H new ATOM 0 HA VAL A 96 31.639 -21.340 -24.075 1.00 11.24 H new ATOM 0 HB VAL A 96 30.257 -23.724 -22.776 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.359 -22.410 -20.697 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.982 -22.806 -21.310 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.321 -21.169 -21.533 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.474 -22.103 -22.264 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.360 -20.850 -23.166 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.725 -22.278 -24.018 1.00 41.02 H new