USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 GLN : amide:sc= -0.0956 K(o=-0.91,f=-1.4) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.817 K(o=-0.91,f=-1.4) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 25 SER OG : rot 25:sc= 1.14 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -95:sc= -1.01 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.91! C(o=-1.9!,f=-8.8!) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= -0.926 (180deg=-0.971) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0333 K(o=-0.033,f=-1.2) USER MOD Single : A 64 HIS : no HE2:sc= -0.936 X(o=-0.94,f=-0.89) USER MOD Single : A 66 TYR OH : rot 30:sc= -0.981 USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= 0.5 (180deg=0.083) USER MOD Single : A 73 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.54 F(o=-3.9,f=-1.5) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.1!) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -4.14! C(o=-5!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 30.262 -22.770 -13.589 1.00 12.42 N ATOM 234 CA ALA A 17 30.136 -22.605 -15.032 1.00 42.35 C ATOM 235 C ALA A 17 30.105 -21.130 -15.415 1.00 62.44 C ATOM 236 O ALA A 17 29.499 -20.311 -14.723 1.00 42.53 O ATOM 237 CB ALA A 17 28.885 -23.310 -15.536 1.00 33.33 C ATOM 0 HA ALA A 17 31.009 -23.057 -15.503 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.803 -23.179 -16.615 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.948 -24.373 -15.303 1.00 33.33 H new ATOM 0 HB3 ALA A 17 28.007 -22.884 -15.051 1.00 33.33 H new ATOM 243 N ARG A 18 30.761 -20.797 -16.521 1.00 70.43 N ATOM 244 CA ARG A 18 30.810 -19.418 -16.995 1.00 32.44 C ATOM 245 C ARG A 18 29.486 -19.017 -17.637 1.00 34.41 C ATOM 246 O ARG A 18 28.687 -19.858 -18.049 1.00 12.32 O ATOM 247 CB ARG A 18 31.950 -19.242 -18.000 1.00 12.31 C ATOM 248 CG ARG A 18 33.179 -18.566 -17.416 1.00 64.34 C ATOM 249 CD ARG A 18 34.197 -18.230 -18.494 1.00 1.20 C ATOM 250 NE ARG A 18 34.423 -16.792 -18.605 1.00 31.54 N ATOM 251 CZ ARG A 18 35.086 -16.227 -19.608 1.00 74.52 C ATOM 252 NH1 ARG A 18 35.585 -16.976 -20.583 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 35.251 -14.910 -19.639 1.00 25.53 N ATOM 0 H ARG A 18 31.266 -21.462 -17.106 1.00 70.43 H new ATOM 0 HA ARG A 18 30.989 -18.771 -16.136 1.00 32.44 H new ATOM 0 HB2 ARG A 18 32.234 -20.220 -18.389 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.590 -18.655 -18.845 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.882 -17.654 -16.898 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.637 -19.220 -16.673 1.00 64.34 H new ATOM 0 HD2 ARG A 18 35.140 -18.729 -18.270 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.851 -18.618 -19.452 1.00 1.20 H new ATOM 0 HE ARG A 18 34.051 -16.188 -17.872 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.460 -17.988 -20.564 1.00 5.14 H new ATOM 0 HH12 ARG A 18 36.094 -16.540 -21.352 1.00 5.14 H new ATOM 0 HH21 ARG A 18 34.868 -14.330 -18.892 1.00 25.53 H new ATOM 0 HH22 ARG A 18 35.760 -14.478 -20.410 1.00 25.53 H new ATOM 267 N PRO A 19 29.245 -17.700 -17.723 1.00 3.15 N ATOM 268 CA PRO A 19 28.018 -17.156 -18.313 1.00 23.40 C ATOM 269 C PRO A 19 27.958 -17.366 -19.822 1.00 70.32 C ATOM 270 O PRO A 19 28.973 -17.644 -20.462 1.00 5.33 O ATOM 271 CB PRO A 19 28.096 -15.663 -17.983 1.00 44.10 C ATOM 272 CG PRO A 19 29.551 -15.387 -17.826 1.00 71.22 C ATOM 273 CD PRO A 19 30.152 -16.640 -17.252 1.00 71.44 C ATOM 0 HA PRO A 19 27.126 -17.646 -17.922 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.662 -15.058 -18.779 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.548 -15.430 -17.070 1.00 44.10 H new ATOM 0 HG2 PRO A 19 30.007 -15.140 -18.785 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.718 -14.536 -17.165 1.00 71.22 H new ATOM 0 HD2 PRO A 19 31.171 -16.796 -17.607 1.00 71.44 H new ATOM 0 HD3 PRO A 19 30.196 -16.603 -16.164 1.00 71.44 H new ATOM 281 N THR A 20 26.762 -17.230 -20.387 1.00 62.41 N ATOM 282 CA THR A 20 26.569 -17.404 -21.821 1.00 11.43 C ATOM 283 C THR A 20 26.658 -16.070 -22.554 1.00 21.11 C ATOM 284 O THR A 20 26.433 -15.013 -21.967 1.00 33.42 O ATOM 285 CB THR A 20 25.210 -18.058 -22.130 1.00 72.41 C ATOM 286 OG1 THR A 20 25.183 -18.515 -23.487 1.00 51.10 O ATOM 287 CG2 THR A 20 24.072 -17.075 -21.898 1.00 52.22 C ATOM 0 H THR A 20 25.912 -17.000 -19.872 1.00 62.41 H new ATOM 0 HA THR A 20 27.366 -18.060 -22.170 1.00 11.43 H new ATOM 0 HB THR A 20 25.079 -18.907 -21.459 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.316 -18.931 -23.675 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.122 -17.559 -22.123 1.00 52.22 H new ATOM 0 HG22 THR A 20 24.077 -16.751 -20.857 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.201 -16.209 -22.548 1.00 52.22 H new ATOM 295 N VAL A 21 26.987 -16.128 -23.841 1.00 64.42 N ATOM 296 CA VAL A 21 27.102 -14.924 -24.655 1.00 34.44 C ATOM 297 C VAL A 21 25.932 -14.802 -25.625 1.00 4.33 C ATOM 298 O VAL A 21 25.916 -15.438 -26.678 1.00 53.11 O ATOM 299 CB VAL A 21 28.419 -14.913 -25.454 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.564 -13.610 -26.225 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.607 -15.126 -24.527 1.00 42.33 C ATOM 0 H VAL A 21 27.178 -16.996 -24.342 1.00 64.42 H new ATOM 0 HA VAL A 21 27.092 -14.076 -23.970 1.00 34.44 H new ATOM 0 HB VAL A 21 28.395 -15.733 -26.172 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.500 -13.620 -26.784 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.729 -13.502 -26.918 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.567 -12.773 -25.527 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.529 -15.115 -25.109 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.637 -14.328 -23.785 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.507 -16.087 -24.023 1.00 42.33 H new ATOM 311 N ILE A 22 24.954 -13.979 -25.261 1.00 22.23 N ATOM 312 CA ILE A 22 23.780 -13.771 -26.099 1.00 2.23 C ATOM 313 C ILE A 22 23.506 -12.285 -26.302 1.00 11.25 C ATOM 314 O ILE A 22 23.623 -11.489 -25.370 1.00 71.43 O ATOM 315 CB ILE A 22 22.530 -14.434 -25.491 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.445 -15.901 -25.917 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.275 -13.682 -25.909 1.00 73.20 C ATOM 318 CD1 ILE A 22 23.014 -16.861 -24.895 1.00 75.24 C ATOM 0 H ILE A 22 24.952 -13.446 -24.392 1.00 22.23 H new ATOM 0 HA ILE A 22 23.994 -14.233 -27.063 1.00 2.23 H new ATOM 0 HB ILE A 22 22.609 -14.395 -24.405 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.402 -16.157 -26.103 1.00 14.22 H new ATOM 0 HG13 ILE A 22 22.977 -16.029 -26.859 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.400 -14.163 -25.471 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.335 -12.651 -25.560 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.189 -13.693 -26.996 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.920 -17.882 -25.264 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.066 -16.631 -24.726 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.466 -16.762 -23.958 1.00 75.24 H new ATOM 330 N ARG A 23 23.139 -11.918 -27.526 1.00 22.13 N ATOM 331 CA ARG A 23 22.847 -10.527 -27.851 1.00 2.21 C ATOM 332 C ARG A 23 21.814 -10.436 -28.971 1.00 24.52 C ATOM 333 O ARG A 23 22.120 -10.701 -30.134 1.00 2.42 O ATOM 334 CB ARG A 23 24.127 -9.798 -28.262 1.00 42.34 C ATOM 335 CG ARG A 23 24.906 -10.506 -29.359 1.00 24.01 C ATOM 336 CD ARG A 23 26.321 -9.963 -29.477 1.00 73.43 C ATOM 337 NE ARG A 23 27.148 -10.780 -30.362 1.00 13.23 N ATOM 338 CZ ARG A 23 28.440 -10.555 -30.574 1.00 71.22 C ATOM 339 NH1 ARG A 23 29.050 -9.546 -29.967 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 29.126 -11.342 -31.394 1.00 52.22 N ATOM 0 H ARG A 23 23.037 -12.564 -28.308 1.00 22.13 H new ATOM 0 HA ARG A 23 22.436 -10.050 -26.961 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.871 -8.794 -28.600 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.768 -9.686 -27.387 1.00 42.34 H new ATOM 0 HG2 ARG A 23 24.942 -11.575 -29.149 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.388 -10.385 -30.310 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.287 -8.941 -29.854 1.00 73.43 H new ATOM 0 HD3 ARG A 23 26.778 -9.923 -28.488 1.00 73.43 H new ATOM 0 HE ARG A 23 26.710 -11.565 -30.843 1.00 13.23 H new ATOM 0 HH11 ARG A 23 28.527 -8.940 -29.335 1.00 41.22 H new ATOM 0 HH12 ARG A 23 30.042 -9.376 -30.132 1.00 41.22 H new ATOM 0 HH21 ARG A 23 28.661 -12.120 -31.862 1.00 52.22 H new ATOM 0 HH22 ARG A 23 30.118 -11.169 -31.556 1.00 52.22 H new ATOM 354 N TRP A 24 20.592 -10.061 -28.612 1.00 71.11 N ATOM 355 CA TRP A 24 19.514 -9.936 -29.586 1.00 14.11 C ATOM 356 C TRP A 24 18.966 -8.514 -29.612 1.00 74.11 C ATOM 357 O TRP A 24 18.543 -7.983 -28.584 1.00 40.02 O ATOM 358 CB TRP A 24 18.392 -10.924 -29.266 1.00 23.53 C ATOM 359 CG TRP A 24 17.160 -10.713 -30.095 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.137 -9.846 -29.837 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.824 -11.384 -31.314 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.184 -9.938 -30.822 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.582 -10.874 -31.741 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.450 -12.365 -32.087 1.00 55.20 C ATOM 365 CZ2 TRP A 24 14.958 -11.313 -32.906 1.00 23.31 C ATOM 366 CZ3 TRP A 24 16.829 -12.799 -33.243 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.594 -12.274 -33.643 1.00 42.54 C ATOM 0 H TRP A 24 20.323 -9.838 -27.654 1.00 71.11 H new ATOM 0 HA TRP A 24 19.920 -10.166 -30.571 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.756 -11.939 -29.422 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.131 -10.837 -28.211 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.085 -9.185 -28.984 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.320 -9.397 -30.863 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.402 -12.777 -31.787 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.006 -10.909 -33.217 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.305 -13.556 -33.848 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.135 -12.635 -34.551 1.00 42.54 H new ATOM 378 N SER A 25 18.974 -7.901 -30.791 1.00 14.13 N ATOM 379 CA SER A 25 18.480 -6.538 -30.949 1.00 42.24 C ATOM 380 C SER A 25 17.471 -6.454 -32.090 1.00 64.44 C ATOM 381 O SER A 25 17.847 -6.410 -33.261 1.00 51.21 O ATOM 382 CB SER A 25 19.643 -5.578 -31.208 1.00 73.05 C ATOM 383 OG SER A 25 20.258 -5.848 -32.457 1.00 65.11 O ATOM 0 H SER A 25 19.317 -8.327 -31.652 1.00 14.13 H new ATOM 0 HA SER A 25 17.980 -6.250 -30.024 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.281 -4.550 -31.192 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.379 -5.669 -30.409 1.00 73.05 H new ATOM 0 HG SER A 25 19.615 -6.292 -33.049 1.00 65.11 H new ATOM 389 N GLU A 26 16.189 -6.433 -31.738 1.00 53.54 N ATOM 390 CA GLU A 26 15.127 -6.354 -32.734 1.00 53.15 C ATOM 391 C GLU A 26 14.131 -5.253 -32.382 1.00 73.25 C ATOM 392 O GLU A 26 14.060 -4.226 -33.055 1.00 53.42 O ATOM 393 CB GLU A 26 14.402 -7.698 -32.843 1.00 25.03 C ATOM 394 CG GLU A 26 13.428 -7.770 -34.008 1.00 61.21 C ATOM 395 CD GLU A 26 12.452 -8.924 -33.881 1.00 62.40 C ATOM 396 OE1 GLU A 26 11.657 -8.927 -32.917 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 12.482 -9.824 -34.747 1.00 31.44 O ATOM 0 H GLU A 26 15.861 -6.470 -30.773 1.00 53.54 H new ATOM 0 HA GLU A 26 15.581 -6.114 -33.695 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.141 -8.493 -32.948 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.861 -7.886 -31.916 1.00 25.03 H new ATOM 0 HG2 GLU A 26 12.873 -6.834 -34.071 1.00 61.21 H new ATOM 0 HG3 GLU A 26 13.987 -7.872 -34.938 1.00 61.21 H new ATOM 404 N GLY A 27 13.362 -5.477 -31.320 1.00 44.43 N ATOM 405 CA GLY A 27 12.380 -4.496 -30.896 1.00 31.34 C ATOM 406 C GLY A 27 10.993 -5.091 -30.748 1.00 63.32 C ATOM 407 O GLY A 27 9.997 -4.450 -31.079 1.00 61.55 O ATOM 0 H GLY A 27 13.402 -6.320 -30.746 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.690 -4.064 -29.945 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.348 -3.682 -31.620 1.00 31.34 H new ATOM 411 N GLY A 28 10.929 -6.322 -30.250 1.00 21.34 N ATOM 412 CA GLY A 28 9.649 -6.983 -30.070 1.00 62.33 C ATOM 413 C GLY A 28 9.000 -6.637 -28.745 1.00 50.05 C ATOM 414 O GLY A 28 9.245 -5.569 -28.184 1.00 23.31 O ATOM 0 H GLY A 28 11.740 -6.873 -29.968 1.00 21.34 H new ATOM 0 HA2 GLY A 28 8.980 -6.701 -30.883 1.00 62.33 H new ATOM 0 HA3 GLY A 28 9.789 -8.062 -30.132 1.00 62.33 H new ATOM 418 N LYS A 29 8.165 -7.541 -28.242 1.00 15.42 N ATOM 419 CA LYS A 29 7.477 -7.327 -26.975 1.00 45.44 C ATOM 420 C LYS A 29 8.124 -8.140 -25.860 1.00 12.10 C ATOM 421 O LYS A 29 8.165 -7.709 -24.708 1.00 63.53 O ATOM 422 CB LYS A 29 5.998 -7.703 -27.105 1.00 41.32 C ATOM 423 CG LYS A 29 5.289 -6.995 -28.246 1.00 72.44 C ATOM 424 CD LYS A 29 4.936 -5.563 -27.880 1.00 52.45 C ATOM 425 CE LYS A 29 3.794 -5.508 -26.878 1.00 71.52 C ATOM 426 NZ LYS A 29 3.379 -4.108 -26.586 1.00 53.32 N1+ ATOM 0 H LYS A 29 7.949 -8.430 -28.694 1.00 15.42 H new ATOM 0 HA LYS A 29 7.556 -6.270 -26.721 1.00 45.44 H new ATOM 0 HB2 LYS A 29 5.917 -8.780 -27.251 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.489 -7.468 -26.170 1.00 41.32 H new ATOM 0 HG2 LYS A 29 5.927 -6.999 -29.130 1.00 72.44 H new ATOM 0 HG3 LYS A 29 4.381 -7.540 -28.505 1.00 72.44 H new ATOM 0 HD2 LYS A 29 5.812 -5.067 -27.462 1.00 52.45 H new ATOM 0 HD3 LYS A 29 4.658 -5.014 -28.780 1.00 52.45 H new ATOM 0 HE2 LYS A 29 2.942 -6.066 -27.267 1.00 71.52 H new ATOM 0 HE3 LYS A 29 4.099 -5.997 -25.953 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 2.598 -4.113 -25.899 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 4.185 -3.582 -26.191 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 3.064 -3.649 -27.464 1.00 53.32 H new ATOM 440 N GLU A 30 8.628 -9.319 -26.209 1.00 44.21 N ATOM 441 CA GLU A 30 9.274 -10.193 -25.237 1.00 11.54 C ATOM 442 C GLU A 30 10.244 -11.149 -25.924 1.00 2.32 C ATOM 443 O GLU A 30 9.927 -11.738 -26.957 1.00 51.51 O ATOM 444 CB GLU A 30 8.224 -10.987 -24.456 1.00 14.34 C ATOM 445 CG GLU A 30 7.484 -12.011 -25.300 1.00 21.41 C ATOM 446 CD GLU A 30 6.274 -12.586 -24.591 1.00 54.10 C ATOM 447 OE1 GLU A 30 6.009 -12.176 -23.441 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.590 -13.445 -25.187 1.00 2.20 O ATOM 0 H GLU A 30 8.601 -9.691 -27.158 1.00 44.21 H new ATOM 0 HA GLU A 30 9.838 -9.569 -24.543 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.711 -11.497 -23.625 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.502 -10.293 -24.026 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.167 -11.546 -26.233 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.165 -12.820 -25.563 1.00 21.41 H new ATOM 455 N VAL A 31 11.431 -11.298 -25.342 1.00 1.21 N ATOM 456 CA VAL A 31 12.449 -12.183 -25.896 1.00 20.01 C ATOM 457 C VAL A 31 12.883 -13.229 -24.876 1.00 24.24 C ATOM 458 O VAL A 31 13.180 -12.904 -23.726 1.00 60.13 O ATOM 459 CB VAL A 31 13.685 -11.392 -26.363 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.684 -12.316 -27.044 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.274 -10.259 -27.292 1.00 53.33 C ATOM 0 H VAL A 31 11.711 -10.817 -24.487 1.00 1.21 H new ATOM 0 HA VAL A 31 12.001 -12.683 -26.755 1.00 20.01 H new ATOM 0 HB VAL A 31 14.167 -10.956 -25.488 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.551 -11.740 -27.367 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.002 -13.088 -26.343 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.215 -12.783 -27.910 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.160 -9.711 -27.612 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.767 -10.670 -28.165 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.600 -9.583 -26.766 1.00 53.33 H new ATOM 471 N PHE A 32 12.917 -14.487 -25.304 1.00 63.42 N ATOM 472 CA PHE A 32 13.315 -15.581 -24.427 1.00 64.12 C ATOM 473 C PHE A 32 14.292 -16.517 -25.134 1.00 21.54 C ATOM 474 O PHE A 32 14.250 -16.667 -26.356 1.00 42.43 O ATOM 475 CB PHE A 32 12.084 -16.365 -23.965 1.00 75.51 C ATOM 476 CG PHE A 32 11.161 -15.569 -23.090 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.360 -15.511 -21.720 1.00 62.05 C ATOM 478 CD2 PHE A 32 10.093 -14.875 -23.637 1.00 72.34 C ATOM 479 CE1 PHE A 32 10.509 -14.780 -20.912 1.00 3.23 C ATOM 480 CE2 PHE A 32 9.239 -14.142 -22.834 1.00 32.23 C ATOM 481 CZ PHE A 32 9.449 -14.093 -21.470 1.00 24.12 C ATOM 0 H PHE A 32 12.674 -14.773 -26.252 1.00 63.42 H new ATOM 0 HA PHE A 32 13.814 -15.154 -23.557 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.534 -16.711 -24.840 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.411 -17.252 -23.423 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.190 -16.043 -21.278 1.00 62.05 H new ATOM 0 HD2 PHE A 32 9.926 -14.907 -24.704 1.00 72.34 H new ATOM 0 HE1 PHE A 32 10.673 -14.746 -19.845 1.00 3.23 H new ATOM 0 HE2 PHE A 32 8.409 -13.608 -23.273 1.00 32.23 H new ATOM 0 HZ PHE A 32 8.785 -13.518 -20.841 1.00 24.12 H new ATOM 491 N ILE A 33 15.169 -17.144 -24.357 1.00 13.35 N ATOM 492 CA ILE A 33 16.156 -18.064 -24.908 1.00 22.33 C ATOM 493 C ILE A 33 15.997 -19.459 -24.314 1.00 62.43 C ATOM 494 O ILE A 33 15.705 -19.611 -23.128 1.00 63.03 O ATOM 495 CB ILE A 33 17.592 -17.570 -24.652 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.602 -18.492 -25.339 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.866 -17.492 -23.158 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.041 -18.151 -25.024 1.00 22.31 C ATOM 0 H ILE A 33 15.216 -17.032 -23.344 1.00 13.35 H new ATOM 0 HA ILE A 33 15.982 -18.107 -25.983 1.00 22.33 H new ATOM 0 HB ILE A 33 17.698 -16.570 -25.073 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.406 -19.521 -25.038 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.453 -18.442 -26.418 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.885 -17.141 -22.993 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.164 -16.799 -22.695 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.746 -18.480 -22.714 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.702 -18.845 -25.544 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.254 -17.133 -25.351 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.207 -18.229 -23.949 1.00 22.31 H new ATOM 510 N SER A 34 16.193 -20.476 -25.147 1.00 25.03 N ATOM 511 CA SER A 34 16.070 -21.861 -24.705 1.00 60.30 C ATOM 512 C SER A 34 17.036 -22.763 -25.468 1.00 10.42 C ATOM 513 O SER A 34 17.214 -22.618 -26.676 1.00 43.22 O ATOM 514 CB SER A 34 14.635 -22.353 -24.896 1.00 31.12 C ATOM 515 OG SER A 34 13.720 -21.558 -24.163 1.00 65.53 O ATOM 0 H SER A 34 16.438 -20.367 -26.131 1.00 25.03 H new ATOM 0 HA SER A 34 16.323 -21.903 -23.645 1.00 60.30 H new ATOM 0 HB2 SER A 34 14.377 -22.327 -25.955 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.558 -23.392 -24.574 1.00 31.12 H new ATOM 0 HG SER A 34 13.541 -21.980 -23.296 1.00 65.53 H new ATOM 521 N GLY A 35 17.656 -23.695 -24.752 1.00 50.42 N ATOM 522 CA GLY A 35 18.596 -24.607 -25.377 1.00 51.10 C ATOM 523 C GLY A 35 18.624 -25.964 -24.703 1.00 32.54 C ATOM 524 O GLY A 35 17.757 -26.276 -23.884 1.00 42.30 O ATOM 0 H GLY A 35 17.524 -23.835 -23.750 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.332 -24.732 -26.427 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.594 -24.170 -25.349 1.00 51.10 H new ATOM 528 N SER A 36 19.618 -26.776 -25.047 1.00 50.42 N ATOM 529 CA SER A 36 19.751 -28.110 -24.473 1.00 60.21 C ATOM 530 C SER A 36 20.194 -28.031 -23.014 1.00 34.32 C ATOM 531 O SER A 36 20.092 -29.006 -22.270 1.00 45.21 O ATOM 532 CB SER A 36 20.755 -28.937 -25.278 1.00 64.21 C ATOM 533 OG SER A 36 22.082 -28.691 -24.846 1.00 43.11 O ATOM 0 H SER A 36 20.344 -26.533 -25.721 1.00 50.42 H new ATOM 0 HA SER A 36 18.776 -28.595 -24.514 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.525 -29.997 -25.172 1.00 64.21 H new ATOM 0 HB3 SER A 36 20.663 -28.696 -26.337 1.00 64.21 H new ATOM 0 HG SER A 36 22.704 -29.233 -25.375 1.00 43.11 H new ATOM 539 N PHE A 37 20.686 -26.863 -22.614 1.00 5.12 N ATOM 540 CA PHE A 37 21.145 -26.657 -21.245 1.00 1.32 C ATOM 541 C PHE A 37 19.992 -26.799 -20.257 1.00 52.10 C ATOM 542 O PHE A 37 20.205 -27.018 -19.065 1.00 24.42 O ATOM 543 CB PHE A 37 21.786 -25.274 -21.103 1.00 52.43 C ATOM 544 CG PHE A 37 20.901 -24.153 -21.568 1.00 52.44 C ATOM 545 CD1 PHE A 37 19.932 -23.626 -20.729 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.038 -23.626 -22.841 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.116 -22.593 -21.153 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.226 -22.594 -23.270 1.00 24.25 C ATOM 549 CZ PHE A 37 19.263 -22.077 -22.425 1.00 63.21 C ATOM 0 H PHE A 37 20.777 -26.046 -23.217 1.00 5.12 H new ATOM 0 HA PHE A 37 21.889 -27.421 -21.019 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.049 -25.110 -20.058 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.715 -25.253 -21.672 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.813 -24.026 -19.733 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.789 -24.026 -23.506 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.365 -22.190 -20.490 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.344 -22.192 -24.265 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.627 -21.271 -22.759 1.00 63.21 H new ATOM 559 N ASN A 38 18.769 -26.672 -20.762 1.00 73.11 N ATOM 560 CA ASN A 38 17.581 -26.785 -19.924 1.00 10.42 C ATOM 561 C ASN A 38 16.612 -27.819 -20.490 1.00 21.43 C ATOM 562 O ASN A 38 15.463 -27.908 -20.060 1.00 31.21 O ATOM 563 CB ASN A 38 16.883 -25.428 -19.806 1.00 72.03 C ATOM 564 CG ASN A 38 15.960 -25.148 -20.975 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.771 -25.465 -20.932 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.505 -24.552 -22.029 1.00 44.21 N ATOM 0 H ASN A 38 18.575 -26.491 -21.747 1.00 73.11 H new ATOM 0 HA ASN A 38 17.896 -27.112 -18.933 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.310 -25.397 -18.879 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.634 -24.641 -19.743 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.934 -24.339 -22.847 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.495 -24.307 -22.021 1.00 44.21 H new ATOM 573 N ASN A 39 17.086 -28.598 -21.457 1.00 32.24 N ATOM 574 CA ASN A 39 16.261 -29.626 -22.083 1.00 20.50 C ATOM 575 C ASN A 39 15.073 -29.003 -22.808 1.00 23.03 C ATOM 576 O ASN A 39 14.069 -29.671 -23.062 1.00 14.24 O ATOM 577 CB ASN A 39 15.768 -30.622 -21.032 1.00 75.11 C ATOM 578 CG ASN A 39 15.576 -32.015 -21.601 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.414 -32.187 -22.809 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.592 -33.017 -20.730 1.00 64.12 N ATOM 0 H ASN A 39 18.036 -28.537 -21.824 1.00 32.24 H new ATOM 0 HA ASN A 39 16.873 -30.153 -22.815 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.483 -30.663 -20.211 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.824 -30.269 -20.615 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.467 -33.976 -21.054 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.729 -32.828 -19.737 1.00 64.12 H new ATOM 587 N TRP A 40 15.193 -27.723 -23.138 1.00 1.42 N ATOM 588 CA TRP A 40 14.128 -27.011 -23.836 1.00 70.44 C ATOM 589 C TRP A 40 12.794 -27.189 -23.119 1.00 14.41 C ATOM 590 O TRP A 40 11.747 -27.305 -23.757 1.00 75.11 O ATOM 591 CB TRP A 40 14.016 -27.503 -25.279 1.00 13.40 C ATOM 592 CG TRP A 40 15.332 -27.548 -25.995 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.328 -28.467 -25.823 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.795 -26.634 -26.995 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.383 -28.178 -26.655 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.080 -27.059 -27.385 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.249 -25.498 -27.600 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.824 -26.388 -28.351 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.989 -24.833 -28.558 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.265 -25.279 -28.928 1.00 62.54 C ATOM 0 H TRP A 40 16.016 -27.156 -22.934 1.00 1.42 H new ATOM 0 HA TRP A 40 14.378 -25.950 -23.841 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.574 -28.500 -25.282 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.335 -26.851 -25.826 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.292 -29.298 -25.135 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.251 -28.710 -26.719 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.266 -25.147 -27.323 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.808 -26.730 -28.636 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.577 -23.954 -29.030 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.818 -24.738 -29.682 1.00 62.54 H new ATOM 611 N SER A 41 12.839 -27.210 -21.791 1.00 25.55 N ATOM 612 CA SER A 41 11.632 -27.378 -20.989 1.00 24.31 C ATOM 613 C SER A 41 11.246 -26.069 -20.308 1.00 73.12 C ATOM 614 O SER A 41 10.287 -26.015 -19.536 1.00 72.53 O ATOM 615 CB SER A 41 11.842 -28.470 -19.938 1.00 23.43 C ATOM 616 OG SER A 41 11.897 -27.920 -18.634 1.00 55.35 O ATOM 0 H SER A 41 13.697 -27.113 -21.248 1.00 25.55 H new ATOM 0 HA SER A 41 10.821 -27.674 -21.654 1.00 24.31 H new ATOM 0 HB2 SER A 41 11.031 -29.195 -19.996 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.766 -29.008 -20.148 1.00 23.43 H new ATOM 0 HG SER A 41 12.030 -28.639 -17.981 1.00 55.35 H new ATOM 622 N THR A 42 11.999 -25.013 -20.598 1.00 74.23 N ATOM 623 CA THR A 42 11.738 -23.704 -20.014 1.00 14.13 C ATOM 624 C THR A 42 12.368 -22.594 -20.848 1.00 20.24 C ATOM 625 O THR A 42 13.363 -22.812 -21.541 1.00 53.41 O ATOM 626 CB THR A 42 12.273 -23.615 -18.572 1.00 54.43 C ATOM 627 OG1 THR A 42 11.999 -22.319 -18.028 1.00 52.32 O ATOM 628 CG2 THR A 42 13.770 -23.880 -18.534 1.00 23.45 C ATOM 0 H THR A 42 12.795 -25.039 -21.235 1.00 74.23 H new ATOM 0 HA THR A 42 10.656 -23.574 -20.000 1.00 14.13 H new ATOM 0 HB THR A 42 11.770 -24.374 -17.973 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.340 -22.270 -17.111 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.126 -23.812 -17.506 1.00 23.45 H new ATOM 0 HG22 THR A 42 13.973 -24.878 -18.923 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.286 -23.140 -19.146 1.00 23.45 H new ATOM 636 N LYS A 43 11.784 -21.402 -20.777 1.00 1.11 N ATOM 637 CA LYS A 43 12.291 -20.257 -21.523 1.00 64.11 C ATOM 638 C LYS A 43 12.980 -19.263 -20.594 1.00 3.12 C ATOM 639 O LYS A 43 12.363 -18.731 -19.671 1.00 72.24 O ATOM 640 CB LYS A 43 11.148 -19.564 -22.269 1.00 65.14 C ATOM 641 CG LYS A 43 11.247 -19.682 -23.780 1.00 42.20 C ATOM 642 CD LYS A 43 9.972 -19.216 -24.461 1.00 2.13 C ATOM 643 CE LYS A 43 9.051 -20.384 -24.779 1.00 63.12 C ATOM 644 NZ LYS A 43 8.953 -21.339 -23.641 1.00 4.54 N1+ ATOM 0 H LYS A 43 10.959 -21.204 -20.210 1.00 1.11 H new ATOM 0 HA LYS A 43 13.023 -20.620 -22.244 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.200 -19.991 -21.941 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.134 -18.509 -21.996 1.00 65.14 H new ATOM 0 HG2 LYS A 43 12.089 -19.089 -24.138 1.00 42.20 H new ATOM 0 HG3 LYS A 43 11.448 -20.718 -24.052 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.453 -18.507 -23.817 1.00 2.13 H new ATOM 0 HD3 LYS A 43 10.222 -18.687 -25.381 1.00 2.13 H new ATOM 0 HE2 LYS A 43 8.058 -20.007 -25.023 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.419 -20.907 -25.661 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 8.290 -22.102 -23.885 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 9.891 -21.744 -23.446 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 8.609 -20.839 -22.797 1.00 4.54 H new ATOM 658 N ILE A 44 14.262 -19.018 -20.844 1.00 22.14 N ATOM 659 CA ILE A 44 15.035 -18.087 -20.031 1.00 54.22 C ATOM 660 C ILE A 44 14.799 -16.646 -20.472 1.00 22.01 C ATOM 661 O ILE A 44 14.842 -16.318 -21.657 1.00 31.33 O ATOM 662 CB ILE A 44 16.542 -18.394 -20.104 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.897 -19.543 -19.158 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.352 -17.151 -19.764 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.303 -20.871 -19.571 1.00 62.32 C ATOM 0 H ILE A 44 14.787 -19.451 -21.603 1.00 22.14 H new ATOM 0 HA ILE A 44 14.697 -18.210 -19.002 1.00 54.22 H new ATOM 0 HB ILE A 44 16.788 -18.697 -21.122 1.00 4.25 H new ATOM 0 HG12 ILE A 44 17.982 -19.639 -19.107 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.552 -19.296 -18.154 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.416 -17.383 -19.820 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.116 -16.358 -20.473 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.105 -16.821 -18.755 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.596 -21.639 -18.855 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.216 -20.792 -19.594 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.668 -21.140 -20.562 1.00 62.32 H new ATOM 677 N PRO A 45 14.543 -15.764 -19.494 1.00 72.14 N ATOM 678 CA PRO A 45 14.298 -14.342 -19.757 1.00 74.30 C ATOM 679 C PRO A 45 15.554 -13.613 -20.222 1.00 3.41 C ATOM 680 O PRO A 45 16.641 -13.820 -19.681 1.00 31.12 O ATOM 681 CB PRO A 45 13.840 -13.805 -18.398 1.00 2.44 C ATOM 682 CG PRO A 45 14.444 -14.733 -17.401 1.00 44.21 C ATOM 683 CD PRO A 45 14.476 -16.085 -18.059 1.00 20.33 C ATOM 0 HA PRO A 45 13.572 -14.194 -20.557 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.179 -12.781 -18.242 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.753 -13.795 -18.322 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.448 -14.410 -17.125 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.854 -14.759 -16.485 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.339 -16.668 -17.737 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.588 -16.670 -17.819 1.00 20.33 H new ATOM 691 N LEU A 46 15.398 -12.758 -21.226 1.00 64.14 N ATOM 692 CA LEU A 46 16.519 -11.996 -21.765 1.00 65.52 C ATOM 693 C LEU A 46 16.599 -10.615 -21.121 1.00 32.13 C ATOM 694 O LEU A 46 15.784 -9.739 -21.409 1.00 65.14 O ATOM 695 CB LEU A 46 16.386 -11.858 -23.283 1.00 61.33 C ATOM 696 CG LEU A 46 17.348 -12.701 -24.121 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.842 -14.132 -24.234 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.532 -12.087 -25.501 1.00 72.32 C ATOM 0 H LEU A 46 14.505 -12.575 -21.684 1.00 64.14 H new ATOM 0 HA LEU A 46 17.437 -12.537 -21.536 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.366 -12.121 -23.563 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.529 -10.810 -23.546 1.00 61.33 H new ATOM 0 HG LEU A 46 18.317 -12.718 -23.622 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.539 -14.718 -24.834 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.763 -14.570 -23.239 1.00 34.30 H new ATOM 0 HD13 LEU A 46 15.862 -14.135 -24.711 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.220 -12.700 -26.083 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.569 -12.039 -26.009 1.00 72.32 H new ATOM 0 HD23 LEU A 46 17.939 -11.081 -25.400 1.00 72.32 H new ATOM 710 N ILE A 47 17.586 -10.430 -20.253 1.00 14.12 N ATOM 711 CA ILE A 47 17.774 -9.154 -19.572 1.00 74.30 C ATOM 712 C ILE A 47 17.799 -7.998 -20.567 1.00 14.44 C ATOM 713 O ILE A 47 18.779 -7.806 -21.288 1.00 31.41 O ATOM 714 CB ILE A 47 19.077 -9.140 -18.752 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.072 -10.273 -17.725 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.256 -7.795 -18.064 1.00 33.01 C ATOM 717 CD1 ILE A 47 17.915 -10.203 -16.753 1.00 44.14 C ATOM 0 H ILE A 47 18.268 -11.146 -20.004 1.00 14.12 H new ATOM 0 HA ILE A 47 16.928 -9.030 -18.896 1.00 74.30 H new ATOM 0 HB ILE A 47 19.916 -9.294 -19.430 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.038 -11.228 -18.250 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.007 -10.250 -17.166 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.182 -7.801 -17.488 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.300 -7.006 -18.814 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.414 -7.613 -17.396 1.00 33.01 H new ATOM 0 HD11 ILE A 47 17.976 -11.037 -16.054 1.00 44.14 H new ATOM 0 HD12 ILE A 47 17.959 -9.264 -16.201 1.00 44.14 H new ATOM 0 HD13 ILE A 47 16.975 -10.257 -17.302 1.00 44.14 H new ATOM 729 N LYS A 48 16.717 -7.229 -20.600 1.00 15.21 N ATOM 730 CA LYS A 48 16.615 -6.089 -21.503 1.00 3.13 C ATOM 731 C LYS A 48 17.615 -5.003 -21.124 1.00 43.44 C ATOM 732 O LYS A 48 17.574 -4.467 -20.017 1.00 42.12 O ATOM 733 CB LYS A 48 15.194 -5.519 -21.479 1.00 15.03 C ATOM 734 CG LYS A 48 14.765 -4.902 -22.799 1.00 21.42 C ATOM 735 CD LYS A 48 13.251 -4.802 -22.901 1.00 24.00 C ATOM 736 CE LYS A 48 12.829 -3.917 -24.064 1.00 64.10 C ATOM 737 NZ LYS A 48 11.448 -4.230 -24.525 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.897 -7.375 -20.011 1.00 15.21 H new ATOM 0 HA LYS A 48 16.845 -6.434 -22.511 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.497 -6.314 -21.215 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.127 -4.764 -20.696 1.00 15.03 H new ATOM 0 HG2 LYS A 48 15.204 -3.909 -22.897 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.148 -5.503 -23.624 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.827 -5.798 -23.028 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.848 -4.400 -21.971 1.00 24.00 H new ATOM 0 HE2 LYS A 48 12.883 -2.871 -23.763 1.00 64.10 H new ATOM 0 HE3 LYS A 48 13.527 -4.047 -24.891 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 11.197 -3.606 -25.318 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 11.402 -5.221 -24.836 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 10.779 -4.081 -23.743 1.00 1.32 H new ATOM 751 N SER A 49 18.513 -4.683 -22.050 1.00 43.44 N ATOM 752 CA SER A 49 19.527 -3.662 -21.812 1.00 72.14 C ATOM 753 C SER A 49 19.264 -2.425 -22.665 1.00 60.13 C ATOM 754 O SER A 49 18.584 -2.497 -23.690 1.00 5.42 O ATOM 755 CB SER A 49 20.920 -4.216 -22.114 1.00 41.12 C ATOM 756 OG SER A 49 21.920 -3.491 -21.418 1.00 21.32 O ATOM 0 H SER A 49 18.559 -5.116 -22.972 1.00 43.44 H new ATOM 0 HA SER A 49 19.478 -3.375 -20.762 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.966 -5.268 -21.831 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.110 -4.166 -23.186 1.00 41.12 H new ATOM 0 HG SER A 49 22.801 -3.866 -21.627 1.00 21.32 H new ATOM 762 N HIS A 50 19.806 -1.291 -22.236 1.00 41.43 N ATOM 763 CA HIS A 50 19.631 -0.037 -22.959 1.00 30.33 C ATOM 764 C HIS A 50 20.103 -0.173 -24.404 1.00 5.15 C ATOM 765 O HIS A 50 19.653 0.557 -25.285 1.00 32.14 O ATOM 766 CB HIS A 50 20.395 1.089 -22.265 1.00 41.03 C ATOM 767 CG HIS A 50 19.616 1.761 -21.177 1.00 40.43 C ATOM 768 ND1 HIS A 50 19.638 3.124 -20.966 1.00 11.43 N ATOM 769 CD2 HIS A 50 18.786 1.251 -20.238 1.00 70.45 C ATOM 770 CE1 HIS A 50 18.857 3.422 -19.943 1.00 0.03 C ATOM 771 NE2 HIS A 50 18.328 2.302 -19.483 1.00 34.54 N ATOM 0 H HIS A 50 20.371 -1.214 -21.390 1.00 41.43 H new ATOM 0 HA HIS A 50 18.568 0.205 -22.963 1.00 30.33 H new ATOM 0 HB2 HIS A 50 21.317 0.686 -21.845 1.00 41.03 H new ATOM 0 HB3 HIS A 50 20.682 1.833 -23.008 1.00 41.03 H new ATOM 0 HD2 HIS A 50 18.531 0.210 -20.107 1.00 70.45 H new ATOM 0 HE1 HIS A 50 18.681 4.412 -19.550 1.00 0.03 H new ATOM 0 HE2 HIS A 50 17.684 2.230 -18.695 1.00 34.54 H new ATOM 779 N ASN A 51 21.014 -1.112 -24.637 1.00 15.24 N ATOM 780 CA ASN A 51 21.549 -1.343 -25.975 1.00 64.25 C ATOM 781 C ASN A 51 20.711 -2.373 -26.726 1.00 63.54 C ATOM 782 O ASN A 51 20.334 -2.161 -27.877 1.00 35.54 O ATOM 783 CB ASN A 51 23.002 -1.813 -25.891 1.00 63.32 C ATOM 784 CG ASN A 51 23.981 -0.657 -25.804 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.585 0.490 -25.602 1.00 43.11 O ATOM 786 ND2 ASN A 51 25.265 -0.958 -25.955 1.00 71.10 N ATOM 0 H ASN A 51 21.397 -1.725 -23.918 1.00 15.24 H new ATOM 0 HA ASN A 51 21.510 -0.401 -26.523 1.00 64.25 H new ATOM 0 HB2 ASN A 51 23.123 -2.455 -25.018 1.00 63.32 H new ATOM 0 HB3 ASN A 51 23.236 -2.418 -26.767 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.970 -0.223 -25.905 1.00 71.10 H new ATOM 0 HD22 ASN A 51 25.546 -1.924 -26.121 1.00 71.10 H new ATOM 793 N ASP A 52 20.423 -3.489 -26.064 1.00 2.33 N ATOM 794 CA ASP A 52 19.629 -4.552 -26.667 1.00 51.51 C ATOM 795 C ASP A 52 19.351 -5.662 -25.658 1.00 40.41 C ATOM 796 O ASP A 52 19.655 -5.528 -24.473 1.00 50.31 O ATOM 797 CB ASP A 52 20.348 -5.126 -27.889 1.00 20.42 C ATOM 798 CG ASP A 52 21.689 -5.740 -27.536 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.700 -6.812 -26.896 1.00 62.31 O ATOM 800 OD2 ASP A 52 22.726 -5.148 -27.900 1.00 62.02 O1- ATOM 0 H ASP A 52 20.728 -3.680 -25.110 1.00 2.33 H new ATOM 0 HA ASP A 52 18.677 -4.125 -26.983 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.717 -5.882 -28.356 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.496 -4.335 -28.625 1.00 20.42 H new ATOM 805 N PHE A 53 18.771 -6.758 -26.136 1.00 23.22 N ATOM 806 CA PHE A 53 18.449 -7.890 -25.276 1.00 74.32 C ATOM 807 C PHE A 53 19.649 -8.822 -25.133 1.00 74.52 C ATOM 808 O PHE A 53 20.465 -8.946 -26.046 1.00 63.11 O ATOM 809 CB PHE A 53 17.253 -8.662 -25.838 1.00 20.02 C ATOM 810 CG PHE A 53 16.017 -7.823 -25.991 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.877 -6.963 -27.068 1.00 71.15 C ATOM 812 CD2 PHE A 53 14.995 -7.895 -25.059 1.00 41.23 C ATOM 813 CE1 PHE A 53 14.740 -6.190 -27.213 1.00 34.33 C ATOM 814 CE2 PHE A 53 13.857 -7.124 -25.198 1.00 25.13 C ATOM 815 CZ PHE A 53 13.729 -6.270 -26.276 1.00 23.43 C ATOM 0 H PHE A 53 18.514 -6.886 -27.115 1.00 23.22 H new ATOM 0 HA PHE A 53 18.191 -7.503 -24.290 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.523 -9.078 -26.809 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.032 -9.503 -25.181 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.665 -6.896 -27.803 1.00 71.15 H new ATOM 0 HD2 PHE A 53 15.089 -8.561 -24.214 1.00 41.23 H new ATOM 0 HE1 PHE A 53 14.643 -5.524 -28.058 1.00 34.33 H new ATOM 0 HE2 PHE A 53 13.068 -7.189 -24.464 1.00 25.13 H new ATOM 0 HZ PHE A 53 12.840 -5.666 -26.386 1.00 23.43 H new ATOM 825 N VAL A 54 19.749 -9.476 -23.980 1.00 60.01 N ATOM 826 CA VAL A 54 20.847 -10.397 -23.716 1.00 21.43 C ATOM 827 C VAL A 54 20.426 -11.491 -22.742 1.00 43.31 C ATOM 828 O VAL A 54 19.383 -11.393 -22.095 1.00 73.14 O ATOM 829 CB VAL A 54 22.072 -9.661 -23.143 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.687 -8.749 -24.194 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.686 -8.872 -21.900 1.00 4.03 C ATOM 0 H VAL A 54 19.082 -9.385 -23.214 1.00 60.01 H new ATOM 0 HA VAL A 54 21.116 -10.848 -24.671 1.00 21.43 H new ATOM 0 HB VAL A 54 22.819 -10.402 -22.858 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.551 -8.237 -23.771 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.001 -9.343 -25.052 1.00 42.10 H new ATOM 0 HG13 VAL A 54 21.950 -8.012 -24.513 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.564 -8.358 -21.508 1.00 4.03 H new ATOM 0 HG22 VAL A 54 20.921 -8.139 -22.157 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.296 -9.553 -21.143 1.00 4.03 H new ATOM 841 N ALA A 55 21.243 -12.535 -22.643 1.00 4.51 N ATOM 842 CA ALA A 55 20.955 -13.648 -21.746 1.00 54.01 C ATOM 843 C ALA A 55 22.195 -14.049 -20.955 1.00 32.03 C ATOM 844 O ALA A 55 23.317 -13.953 -21.452 1.00 42.01 O ATOM 845 CB ALA A 55 20.421 -14.836 -22.533 1.00 40.42 C ATOM 0 H ALA A 55 22.109 -12.633 -23.173 1.00 4.51 H new ATOM 0 HA ALA A 55 20.193 -13.324 -21.037 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.210 -15.659 -21.851 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.505 -14.549 -23.049 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.165 -15.152 -23.264 1.00 40.42 H new ATOM 851 N ILE A 56 21.985 -14.498 -19.722 1.00 34.40 N ATOM 852 CA ILE A 56 23.086 -14.914 -18.863 1.00 21.40 C ATOM 853 C ILE A 56 22.737 -16.188 -18.100 1.00 72.24 C ATOM 854 O ILE A 56 21.797 -16.211 -17.304 1.00 72.43 O ATOM 855 CB ILE A 56 23.461 -13.812 -17.855 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.742 -12.497 -18.586 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.668 -14.236 -17.031 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.946 -12.560 -19.499 1.00 74.44 C ATOM 0 H ILE A 56 21.062 -14.583 -19.296 1.00 34.40 H new ATOM 0 HA ILE A 56 23.939 -15.105 -19.514 1.00 21.40 H new ATOM 0 HB ILE A 56 22.621 -13.657 -17.178 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.865 -12.222 -19.172 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.894 -11.707 -17.851 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.921 -13.447 -16.323 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.434 -15.150 -16.486 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.516 -14.415 -17.693 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.086 -11.594 -19.984 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.833 -12.804 -18.915 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.788 -13.327 -20.257 1.00 74.44 H new ATOM 870 N LEU A 57 23.501 -17.246 -18.346 1.00 23.15 N ATOM 871 CA LEU A 57 23.275 -18.524 -17.681 1.00 22.42 C ATOM 872 C LEU A 57 24.567 -19.332 -17.597 1.00 52.54 C ATOM 873 O LEU A 57 25.289 -19.471 -18.585 1.00 60.35 O ATOM 874 CB LEU A 57 22.207 -19.327 -18.425 1.00 74.01 C ATOM 875 CG LEU A 57 22.086 -19.055 -19.925 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.576 -20.289 -20.653 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.169 -17.867 -20.179 1.00 20.50 C ATOM 0 H LEU A 57 24.283 -17.244 -19.001 1.00 23.15 H new ATOM 0 HA LEU A 57 22.929 -18.321 -16.668 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.415 -20.388 -18.284 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.241 -19.127 -17.961 1.00 74.01 H new ATOM 0 HG LEU A 57 23.076 -18.814 -20.312 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.497 -20.076 -21.719 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.270 -21.115 -20.499 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.595 -20.562 -20.264 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.094 -17.688 -21.252 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.178 -18.079 -19.777 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.577 -16.982 -19.691 1.00 20.50 H new ATOM 889 N ASP A 58 24.852 -19.862 -16.413 1.00 34.22 N ATOM 890 CA ASP A 58 26.055 -20.658 -16.201 1.00 0.11 C ATOM 891 C ASP A 58 25.925 -22.026 -16.863 1.00 63.43 C ATOM 892 O ASP A 58 25.186 -22.890 -16.388 1.00 41.24 O ATOM 893 CB ASP A 58 26.324 -20.826 -14.704 1.00 24.31 C ATOM 894 CG ASP A 58 25.100 -21.296 -13.945 1.00 42.33 C ATOM 895 OD1 ASP A 58 24.282 -20.440 -13.549 1.00 22.34 O1- ATOM 896 OD2 ASP A 58 24.959 -22.521 -13.745 1.00 2.41 O ATOM 0 H ASP A 58 24.266 -19.755 -15.585 1.00 34.22 H new ATOM 0 HA ASP A 58 26.894 -20.132 -16.657 1.00 0.11 H new ATOM 0 HB2 ASP A 58 27.133 -21.542 -14.561 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.662 -19.876 -14.290 1.00 24.31 H new ATOM 901 N LEU A 59 26.646 -22.218 -17.962 1.00 33.22 N ATOM 902 CA LEU A 59 26.612 -23.481 -18.690 1.00 60.20 C ATOM 903 C LEU A 59 27.947 -24.208 -18.582 1.00 1.03 C ATOM 904 O LEU A 59 29.004 -23.598 -18.417 1.00 70.11 O ATOM 905 CB LEU A 59 26.269 -23.235 -20.161 1.00 32.04 C ATOM 906 CG LEU A 59 25.110 -22.274 -20.428 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.171 -21.749 -21.855 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.777 -22.961 -20.168 1.00 1.32 C ATOM 0 H LEU A 59 27.262 -21.514 -18.369 1.00 33.22 H new ATOM 0 HA LEU A 59 25.841 -24.109 -18.243 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.157 -22.849 -20.661 1.00 32.04 H new ATOM 0 HB3 LEU A 59 26.034 -24.193 -20.624 1.00 32.04 H new ATOM 0 HG LEU A 59 25.200 -21.428 -19.746 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.339 -21.067 -22.028 1.00 43.15 H new ATOM 0 HD12 LEU A 59 26.112 -21.220 -22.008 1.00 43.15 H new ATOM 0 HD13 LEU A 59 25.106 -22.584 -22.553 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.963 -22.262 -20.363 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.679 -23.825 -20.825 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.733 -23.288 -19.129 1.00 1.32 H new ATOM 920 N PRO A 60 27.903 -25.546 -18.678 1.00 53.42 N ATOM 921 CA PRO A 60 29.101 -26.387 -18.597 1.00 72.32 C ATOM 922 C PRO A 60 30.002 -26.230 -19.817 1.00 43.23 C ATOM 923 O PRO A 60 29.537 -25.882 -20.902 1.00 43.11 O ATOM 924 CB PRO A 60 28.534 -27.807 -18.528 1.00 45.22 C ATOM 925 CG PRO A 60 27.201 -27.715 -19.187 1.00 34.34 C ATOM 926 CD PRO A 60 26.678 -26.340 -18.875 1.00 31.23 C ATOM 0 HA PRO A 60 29.728 -26.123 -17.745 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.182 -28.517 -19.042 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.443 -28.147 -17.496 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.287 -27.865 -20.263 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.526 -28.484 -18.811 1.00 34.34 H new ATOM 0 HD2 PRO A 60 26.071 -25.946 -19.690 1.00 31.23 H new ATOM 0 HD3 PRO A 60 26.052 -26.341 -17.983 1.00 31.23 H new ATOM 934 N GLU A 61 31.292 -26.491 -19.631 1.00 34.34 N ATOM 935 CA GLU A 61 32.258 -26.379 -20.719 1.00 51.40 C ATOM 936 C GLU A 61 31.949 -27.383 -21.825 1.00 71.00 C ATOM 937 O GLU A 61 31.874 -28.587 -21.585 1.00 52.22 O ATOM 938 CB GLU A 61 33.678 -26.602 -20.194 1.00 14.52 C ATOM 939 CG GLU A 61 34.720 -26.723 -21.293 1.00 12.24 C ATOM 940 CD GLU A 61 35.090 -28.164 -21.590 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.441 -28.893 -20.639 1.00 62.21 O ATOM 942 OE2 GLU A 61 35.030 -28.560 -22.772 1.00 14.15 O1- ATOM 0 H GLU A 61 31.692 -26.781 -18.739 1.00 34.34 H new ATOM 0 HA GLU A 61 32.186 -25.374 -21.134 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.948 -25.774 -19.538 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.694 -27.508 -19.588 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.341 -26.255 -22.201 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.616 -26.174 -21.001 1.00 12.24 H new ATOM 949 N GLY A 62 31.769 -26.877 -23.042 1.00 75.14 N ATOM 950 CA GLY A 62 31.470 -27.742 -24.169 1.00 3.44 C ATOM 951 C GLY A 62 30.723 -27.019 -25.272 1.00 3.40 C ATOM 952 O GLY A 62 31.063 -25.889 -25.623 1.00 30.13 O ATOM 0 H GLY A 62 31.825 -25.884 -23.267 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.400 -28.147 -24.569 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.875 -28.588 -23.826 1.00 3.44 H new ATOM 956 N GLU A 63 29.704 -27.672 -25.821 1.00 44.04 N ATOM 957 CA GLU A 63 28.910 -27.084 -26.894 1.00 31.31 C ATOM 958 C GLU A 63 27.419 -27.298 -26.647 1.00 34.40 C ATOM 959 O GLU A 63 27.031 -28.374 -26.194 1.00 55.14 O ATOM 960 CB GLU A 63 29.306 -27.689 -28.242 1.00 71.45 C ATOM 961 CG GLU A 63 28.479 -27.172 -29.407 1.00 41.01 C ATOM 962 CD GLU A 63 28.648 -28.009 -30.660 1.00 64.35 C ATOM 963 OE1 GLU A 63 29.734 -28.599 -30.839 1.00 63.41 O1- ATOM 964 OE2 GLU A 63 27.692 -28.077 -31.461 1.00 13.32 O ATOM 0 H GLU A 63 29.409 -28.607 -25.541 1.00 44.04 H new ATOM 0 HA GLU A 63 29.108 -26.012 -26.913 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.358 -27.476 -28.431 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.205 -28.773 -28.188 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.427 -27.159 -29.123 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.764 -26.142 -29.621 1.00 41.01 H new ATOM 971 N HIS A 64 26.626 -26.279 -26.944 1.00 11.42 N ATOM 972 CA HIS A 64 25.189 -26.368 -26.749 1.00 43.11 C ATOM 973 C HIS A 64 24.471 -25.622 -27.876 1.00 20.11 C ATOM 974 O HIS A 64 25.070 -24.868 -28.643 1.00 22.41 O ATOM 975 CB HIS A 64 24.797 -25.863 -25.359 1.00 0.52 C ATOM 976 CG HIS A 64 25.955 -25.756 -24.396 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.223 -26.716 -23.436 1.00 23.24 N ATOM 978 CD2 HIS A 64 26.911 -24.794 -24.255 1.00 51.01 C ATOM 979 CE1 HIS A 64 27.294 -26.338 -22.753 1.00 5.41 C ATOM 980 NE2 HIS A 64 27.718 -25.146 -23.263 1.00 33.03 N ATOM 0 H HIS A 64 26.951 -25.388 -27.318 1.00 11.42 H new ATOM 0 HA HIS A 64 24.876 -27.411 -26.794 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.328 -24.884 -25.458 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.048 -26.534 -24.938 1.00 0.52 H new ATOM 0 HD1 HIS A 64 25.687 -27.570 -23.280 1.00 23.24 H new ATOM 0 HD2 HIS A 64 26.997 -23.897 -24.850 1.00 51.01 H new ATOM 0 HE1 HIS A 64 27.750 -26.878 -21.937 1.00 5.41 H new ATOM 988 N GLN A 65 23.164 -25.850 -27.957 1.00 1.42 N ATOM 989 CA GLN A 65 22.340 -25.213 -28.978 1.00 75.43 C ATOM 990 C GLN A 65 21.144 -24.507 -28.348 1.00 40.13 C ATOM 991 O GLN A 65 20.369 -25.116 -27.610 1.00 52.02 O ATOM 992 CB GLN A 65 21.860 -26.250 -29.994 1.00 73.02 C ATOM 993 CG GLN A 65 22.751 -26.360 -31.220 1.00 71.31 C ATOM 994 CD GLN A 65 22.744 -27.750 -31.825 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.425 -27.926 -33.000 1.00 5.51 O ATOM 996 NE2 GLN A 65 23.098 -28.746 -31.022 1.00 53.03 N ATOM 0 H GLN A 65 22.653 -26.470 -27.329 1.00 1.42 H new ATOM 0 HA GLN A 65 22.949 -24.468 -29.490 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.804 -27.224 -29.508 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.849 -25.994 -30.312 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.422 -25.640 -31.969 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.772 -26.092 -30.948 1.00 71.31 H new ATOM 0 HE21 GLN A 65 23.355 -28.554 -30.054 1.00 53.03 H new ATOM 0 HE22 GLN A 65 23.113 -29.704 -31.373 1.00 53.03 H new ATOM 1005 N TYR A 66 20.998 -23.220 -28.646 1.00 4.15 N ATOM 1006 CA TYR A 66 19.898 -22.431 -28.108 1.00 72.34 C ATOM 1007 C TYR A 66 19.032 -21.868 -29.229 1.00 74.34 C ATOM 1008 O TYR A 66 19.305 -22.084 -30.410 1.00 1.32 O ATOM 1009 CB TYR A 66 20.436 -21.290 -27.242 1.00 10.24 C ATOM 1010 CG TYR A 66 21.279 -20.295 -28.008 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.587 -20.593 -28.367 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.765 -19.057 -28.373 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.361 -19.687 -29.066 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.531 -18.144 -29.073 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.828 -18.464 -29.417 1.00 22.23 C ATOM 1016 OH TYR A 66 23.595 -17.559 -30.114 1.00 12.33 O ATOM 0 H TYR A 66 21.629 -22.702 -29.258 1.00 4.15 H new ATOM 0 HA TYR A 66 19.282 -23.086 -27.492 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.597 -20.766 -26.784 1.00 10.24 H new ATOM 0 HB3 TYR A 66 21.031 -21.710 -26.431 1.00 10.24 H new ATOM 0 HD1 TYR A 66 23.007 -21.550 -28.095 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.750 -18.804 -28.105 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.377 -19.935 -29.336 1.00 2.40 H new ATOM 0 HE2 TYR A 66 21.117 -17.186 -29.349 1.00 71.43 H new ATOM 0 HH TYR A 66 24.239 -18.040 -30.675 1.00 12.33 H new ATOM 1026 N LYS A 67 17.984 -21.142 -28.852 1.00 53.20 N ATOM 1027 CA LYS A 67 17.077 -20.544 -29.824 1.00 62.12 C ATOM 1028 C LYS A 67 16.405 -19.302 -29.249 1.00 21.43 C ATOM 1029 O LYS A 67 16.092 -19.248 -28.059 1.00 63.05 O ATOM 1030 CB LYS A 67 16.014 -21.559 -30.253 1.00 52.15 C ATOM 1031 CG LYS A 67 15.109 -21.060 -31.365 1.00 4.31 C ATOM 1032 CD LYS A 67 15.793 -21.143 -32.720 1.00 75.43 C ATOM 1033 CE LYS A 67 14.889 -20.633 -33.832 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.831 -21.621 -34.183 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.742 -20.954 -27.879 1.00 53.20 H new ATOM 0 HA LYS A 67 17.662 -20.249 -30.695 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.509 -22.473 -30.581 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.403 -21.820 -29.389 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.193 -21.650 -31.382 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.820 -20.028 -31.165 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.713 -20.559 -32.701 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.075 -22.176 -32.924 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.424 -19.697 -33.522 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.488 -20.413 -34.715 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.111 -21.162 -34.777 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.256 -22.414 -34.705 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.387 -21.978 -33.313 1.00 33.33 H new ATOM 1048 N PHE A 68 16.184 -18.305 -30.100 1.00 0.13 N ATOM 1049 CA PHE A 68 15.548 -17.063 -29.677 1.00 34.41 C ATOM 1050 C PHE A 68 14.039 -17.124 -29.893 1.00 74.51 C ATOM 1051 O PHE A 68 13.563 -17.714 -30.862 1.00 43.04 O ATOM 1052 CB PHE A 68 16.138 -15.877 -30.441 1.00 21.54 C ATOM 1053 CG PHE A 68 17.502 -15.471 -29.960 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.766 -15.353 -28.605 1.00 24.44 C ATOM 1055 CD2 PHE A 68 18.519 -15.208 -30.862 1.00 45.22 C ATOM 1056 CE1 PHE A 68 19.020 -14.979 -28.160 1.00 64.40 C ATOM 1057 CE2 PHE A 68 19.775 -14.833 -30.423 1.00 21.32 C ATOM 1058 CZ PHE A 68 20.026 -14.720 -29.070 1.00 60.24 C ATOM 0 H PHE A 68 16.436 -18.333 -31.088 1.00 0.13 H new ATOM 0 HA PHE A 68 15.739 -16.930 -28.612 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.195 -16.130 -31.500 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.462 -15.026 -30.353 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.983 -15.555 -27.889 1.00 24.44 H new ATOM 0 HD2 PHE A 68 18.329 -15.297 -31.921 1.00 45.22 H new ATOM 0 HE1 PHE A 68 19.213 -14.889 -27.101 1.00 64.40 H new ATOM 0 HE2 PHE A 68 20.559 -14.629 -31.137 1.00 21.32 H new ATOM 0 HZ PHE A 68 21.007 -14.430 -28.724 1.00 60.24 H new ATOM 1068 N PHE A 69 13.292 -16.509 -28.982 1.00 64.40 N ATOM 1069 CA PHE A 69 11.837 -16.493 -29.070 1.00 63.41 C ATOM 1070 C PHE A 69 11.300 -15.068 -28.964 1.00 34.32 C ATOM 1071 O PHE A 69 11.113 -14.545 -27.866 1.00 62.44 O ATOM 1072 CB PHE A 69 11.227 -17.364 -27.969 1.00 5.13 C ATOM 1073 CG PHE A 69 9.726 -17.390 -27.988 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.046 -18.275 -28.807 1.00 42.11 C ATOM 1075 CD2 PHE A 69 8.995 -16.529 -27.184 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.664 -18.301 -28.826 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.613 -16.551 -27.199 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.947 -17.439 -28.021 1.00 3.22 C ATOM 0 H PHE A 69 13.671 -16.015 -28.174 1.00 64.40 H new ATOM 0 HA PHE A 69 11.553 -16.898 -30.042 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.601 -18.382 -28.073 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.564 -16.998 -26.999 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.601 -18.953 -29.438 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.511 -15.833 -26.539 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.146 -18.995 -29.470 1.00 52.12 H new ATOM 0 HE2 PHE A 69 7.055 -15.875 -26.569 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.867 -17.459 -28.034 1.00 3.22 H new ATOM 1088 N VAL A 70 11.056 -14.447 -30.113 1.00 51.23 N ATOM 1089 CA VAL A 70 10.541 -13.083 -30.149 1.00 53.12 C ATOM 1090 C VAL A 70 9.250 -13.005 -30.956 1.00 13.23 C ATOM 1091 O VAL A 70 9.016 -13.814 -31.854 1.00 23.10 O ATOM 1092 CB VAL A 70 11.572 -12.111 -30.755 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.129 -10.670 -30.552 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.947 -12.346 -30.149 1.00 41.35 C ATOM 0 H VAL A 70 11.206 -14.866 -31.031 1.00 51.23 H new ATOM 0 HA VAL A 70 10.340 -12.792 -29.118 1.00 53.12 H new ATOM 0 HB VAL A 70 11.637 -12.299 -31.827 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.869 -9.997 -30.986 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.166 -10.513 -31.039 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.034 -10.465 -29.486 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.662 -11.651 -30.589 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.902 -12.187 -29.072 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.264 -13.369 -30.352 1.00 41.35 H new ATOM 1104 N ASP A 71 8.413 -12.026 -30.629 1.00 3.15 N ATOM 1105 CA ASP A 71 7.145 -11.841 -31.323 1.00 54.03 C ATOM 1106 C ASP A 71 6.228 -13.041 -31.111 1.00 20.14 C ATOM 1107 O ASP A 71 5.509 -13.455 -32.019 1.00 62.44 O ATOM 1108 CB ASP A 71 7.385 -11.625 -32.818 1.00 64.34 C ATOM 1109 CG ASP A 71 6.167 -11.061 -33.525 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.581 -10.085 -33.009 1.00 63.53 O ATOM 1111 OD2 ASP A 71 5.800 -11.594 -34.592 1.00 51.33 O1- ATOM 0 H ASP A 71 8.591 -11.349 -29.887 1.00 3.15 H new ATOM 0 HA ASP A 71 6.658 -10.958 -30.909 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.227 -10.946 -32.953 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.663 -12.573 -33.279 1.00 64.34 H new ATOM 1116 N GLY A 72 6.261 -13.598 -29.904 1.00 2.30 N ATOM 1117 CA GLY A 72 5.429 -14.747 -29.593 1.00 30.24 C ATOM 1118 C GLY A 72 5.716 -15.930 -30.495 1.00 72.25 C ATOM 1119 O GLY A 72 4.835 -16.751 -30.752 1.00 21.11 O ATOM 0 H GLY A 72 6.849 -13.274 -29.136 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.590 -15.038 -28.555 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.379 -14.468 -29.687 1.00 30.24 H new ATOM 1123 N GLN A 73 6.951 -16.018 -30.980 1.00 45.23 N ATOM 1124 CA GLN A 73 7.350 -17.109 -31.862 1.00 20.11 C ATOM 1125 C GLN A 73 8.849 -17.368 -31.763 1.00 25.04 C ATOM 1126 O GLN A 73 9.584 -16.589 -31.157 1.00 32.35 O ATOM 1127 CB GLN A 73 6.969 -16.789 -33.308 1.00 33.33 C ATOM 1128 CG GLN A 73 7.782 -15.657 -33.915 1.00 51.12 C ATOM 1129 CD GLN A 73 7.479 -15.444 -35.385 1.00 31.44 C ATOM 1130 OE1 GLN A 73 6.470 -14.836 -35.741 1.00 52.31 O ATOM 1131 NE2 GLN A 73 8.356 -15.945 -36.248 1.00 32.52 N ATOM 0 H GLN A 73 7.692 -15.347 -30.777 1.00 45.23 H new ATOM 0 HA GLN A 73 6.823 -18.010 -31.546 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.098 -17.685 -33.916 1.00 33.33 H new ATOM 0 HB3 GLN A 73 5.912 -16.527 -33.347 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.579 -14.736 -33.369 1.00 51.12 H new ATOM 0 HG3 GLN A 73 8.844 -15.872 -33.794 1.00 51.12 H new ATOM 0 HE21 GLN A 73 9.179 -16.442 -35.908 1.00 32.52 H new ATOM 0 HE22 GLN A 73 8.206 -15.832 -37.251 1.00 32.52 H new ATOM 1140 N TRP A 74 9.295 -18.466 -32.362 1.00 23.22 N ATOM 1141 CA TRP A 74 10.708 -18.827 -32.341 1.00 12.20 C ATOM 1142 C TRP A 74 11.430 -18.274 -33.565 1.00 60.11 C ATOM 1143 O TRP A 74 11.127 -18.649 -34.699 1.00 24.22 O ATOM 1144 CB TRP A 74 10.865 -20.348 -32.285 1.00 50.12 C ATOM 1145 CG TRP A 74 10.498 -20.935 -30.955 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.347 -21.599 -30.643 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.286 -20.906 -29.759 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.372 -21.987 -29.324 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.550 -21.574 -28.761 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.541 -20.384 -29.436 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 11.030 -21.730 -27.463 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 13.015 -20.541 -28.147 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.261 -21.209 -27.174 1.00 52.42 C ATOM 0 H TRP A 74 8.699 -19.121 -32.868 1.00 23.22 H new ATOM 0 HA TRP A 74 11.157 -18.389 -31.450 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.242 -20.799 -33.057 1.00 50.12 H new ATOM 0 HB3 TRP A 74 11.898 -20.608 -32.516 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.536 -21.791 -31.330 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.633 -22.499 -28.843 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.130 -19.867 -30.180 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.450 -22.244 -26.711 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.984 -20.142 -27.886 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.660 -21.315 -26.176 1.00 52.42 H new ATOM 1164 N VAL A 75 12.386 -17.381 -33.330 1.00 42.22 N ATOM 1165 CA VAL A 75 13.151 -16.778 -34.413 1.00 53.15 C ATOM 1166 C VAL A 75 14.650 -16.944 -34.187 1.00 42.43 C ATOM 1167 O VAL A 75 15.085 -17.332 -33.103 1.00 15.11 O ATOM 1168 CB VAL A 75 12.829 -15.278 -34.561 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.336 -15.071 -34.766 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.322 -14.506 -33.348 1.00 33.52 C ATOM 0 H VAL A 75 12.649 -17.059 -32.398 1.00 42.22 H new ATOM 0 HA VAL A 75 12.865 -17.296 -35.328 1.00 53.15 H new ATOM 0 HB VAL A 75 13.348 -14.897 -35.440 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.127 -14.006 -34.869 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.017 -15.592 -35.669 1.00 25.31 H new ATOM 0 HG13 VAL A 75 10.793 -15.466 -33.908 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.086 -13.449 -33.469 1.00 33.52 H new ATOM 0 HG22 VAL A 75 12.833 -14.886 -32.451 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.401 -14.629 -33.252 1.00 33.52 H new ATOM 1180 N HIS A 76 15.435 -16.647 -35.218 1.00 54.12 N ATOM 1181 CA HIS A 76 16.887 -16.763 -35.131 1.00 10.02 C ATOM 1182 C HIS A 76 17.568 -15.708 -35.997 1.00 43.22 C ATOM 1183 O HIS A 76 17.074 -15.357 -37.068 1.00 33.44 O ATOM 1184 CB HIS A 76 17.334 -18.160 -35.561 1.00 62.13 C ATOM 1185 CG HIS A 76 17.250 -18.387 -37.040 1.00 63.23 C ATOM 1186 ND1 HIS A 76 18.014 -17.915 -38.052 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.288 -19.183 -37.625 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.505 -18.430 -39.219 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.466 -19.193 -38.934 1.00 14.42 N flip ATOM 0 H HIS A 76 15.091 -16.325 -36.122 1.00 54.12 H new ATOM 0 HA HIS A 76 17.179 -16.600 -34.094 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.362 -18.320 -35.235 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.719 -18.902 -35.052 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.511 -19.715 -37.096 1.00 1.42 H new ATOM 0 HE1 HIS A 76 17.892 -18.241 -40.209 1.00 52.22 H new ATOM 0 HE2 HIS A 76 15.897 -19.703 -39.610 1.00 14.42 H new ATOM 1197 N ASP A 77 18.703 -15.205 -35.524 1.00 61.11 N ATOM 1198 CA ASP A 77 19.453 -14.191 -36.255 1.00 41.41 C ATOM 1199 C ASP A 77 20.470 -14.835 -37.191 1.00 24.02 C ATOM 1200 O ASP A 77 21.194 -15.760 -36.820 1.00 23.04 O ATOM 1201 CB ASP A 77 20.164 -13.250 -35.281 1.00 44.44 C ATOM 1202 CG ASP A 77 21.171 -13.973 -34.408 1.00 1.12 C ATOM 1203 OD1 ASP A 77 20.784 -14.960 -33.748 1.00 34.33 O ATOM 1204 OD2 ASP A 77 22.347 -13.553 -34.386 1.00 10.11 O1- ATOM 0 H ASP A 77 19.124 -15.483 -34.637 1.00 61.11 H new ATOM 0 HA ASP A 77 18.747 -13.616 -36.855 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.672 -12.466 -35.843 1.00 44.44 H new ATOM 0 HB3 ASP A 77 19.424 -12.760 -34.648 1.00 44.44 H new ATOM 1209 N PRO A 78 20.527 -14.338 -38.436 1.00 15.43 N ATOM 1210 CA PRO A 78 21.452 -14.851 -39.452 1.00 4.43 C ATOM 1211 C PRO A 78 22.904 -14.505 -39.142 1.00 61.31 C ATOM 1212 O PRO A 78 23.826 -15.096 -39.704 1.00 23.50 O ATOM 1213 CB PRO A 78 20.996 -14.148 -40.733 1.00 61.03 C ATOM 1214 CG PRO A 78 20.335 -12.897 -40.264 1.00 70.11 C ATOM 1215 CD PRO A 78 19.695 -13.236 -38.947 1.00 31.15 C ATOM 0 HA PRO A 78 21.427 -15.939 -39.514 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.841 -13.929 -41.386 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.306 -14.771 -41.302 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.060 -12.092 -40.150 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.591 -12.556 -40.983 1.00 70.11 H new ATOM 0 HD2 PRO A 78 19.697 -12.383 -38.268 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.656 -13.542 -39.072 1.00 31.15 H new ATOM 1223 N SER A 79 23.100 -13.546 -38.243 1.00 34.01 N ATOM 1224 CA SER A 79 24.441 -13.120 -37.861 1.00 21.01 C ATOM 1225 C SER A 79 25.102 -14.152 -36.953 1.00 1.21 C ATOM 1226 O SER A 79 26.327 -14.254 -36.901 1.00 44.53 O ATOM 1227 CB SER A 79 24.386 -11.764 -37.154 1.00 32.35 C ATOM 1228 OG SER A 79 25.676 -11.184 -37.061 1.00 23.51 O ATOM 0 H SER A 79 22.348 -13.050 -37.766 1.00 34.01 H new ATOM 0 HA SER A 79 25.037 -13.026 -38.769 1.00 21.01 H new ATOM 0 HB2 SER A 79 23.721 -11.093 -37.698 1.00 32.35 H new ATOM 0 HB3 SER A 79 23.967 -11.888 -36.156 1.00 32.35 H new ATOM 0 HG SER A 79 25.613 -10.318 -36.607 1.00 23.51 H new ATOM 1234 N GLU A 80 24.280 -14.917 -36.241 1.00 41.40 N ATOM 1235 CA GLU A 80 24.785 -15.942 -35.335 1.00 72.34 C ATOM 1236 C GLU A 80 24.870 -17.294 -36.037 1.00 21.05 C ATOM 1237 O GLU A 80 24.254 -17.522 -37.078 1.00 74.53 O ATOM 1238 CB GLU A 80 23.885 -16.052 -34.102 1.00 2.30 C ATOM 1239 CG GLU A 80 24.310 -15.150 -32.956 1.00 10.13 C ATOM 1240 CD GLU A 80 23.407 -15.279 -31.745 1.00 3.42 C ATOM 1241 OE1 GLU A 80 22.336 -15.910 -31.870 1.00 15.10 O ATOM 1242 OE2 GLU A 80 23.771 -14.752 -30.674 1.00 21.22 O1- ATOM 0 H GLU A 80 23.263 -14.846 -36.274 1.00 41.40 H new ATOM 0 HA GLU A 80 25.787 -15.651 -35.020 1.00 72.34 H new ATOM 0 HB2 GLU A 80 22.862 -15.806 -34.386 1.00 2.30 H new ATOM 0 HB3 GLU A 80 23.880 -17.086 -33.757 1.00 2.30 H new ATOM 0 HG2 GLU A 80 25.333 -15.392 -32.669 1.00 10.13 H new ATOM 0 HG3 GLU A 80 24.311 -14.114 -33.295 1.00 10.13 H new ATOM 1249 N PRO A 81 25.655 -18.214 -35.455 1.00 13.13 N ATOM 1250 CA PRO A 81 25.840 -19.559 -36.007 1.00 34.44 C ATOM 1251 C PRO A 81 24.583 -20.413 -35.888 1.00 52.34 C ATOM 1252 O PRO A 81 24.386 -21.111 -34.893 1.00 32.21 O ATOM 1253 CB PRO A 81 26.967 -20.142 -35.150 1.00 71.33 C ATOM 1254 CG PRO A 81 26.886 -19.397 -33.862 1.00 70.53 C ATOM 1255 CD PRO A 81 26.419 -18.011 -34.214 1.00 61.31 C ATOM 0 HA PRO A 81 26.066 -19.535 -37.073 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.835 -21.213 -34.997 1.00 71.33 H new ATOM 0 HB3 PRO A 81 27.938 -20.005 -35.626 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.191 -19.880 -33.175 1.00 70.53 H new ATOM 0 HG3 PRO A 81 27.856 -19.368 -33.366 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.799 -17.583 -33.426 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.257 -17.331 -34.365 1.00 61.31 H new ATOM 1263 N VAL A 82 23.735 -20.355 -36.910 1.00 53.33 N ATOM 1264 CA VAL A 82 22.497 -21.125 -36.920 1.00 75.02 C ATOM 1265 C VAL A 82 22.655 -22.409 -37.728 1.00 72.11 C ATOM 1266 O VAL A 82 23.345 -22.432 -38.747 1.00 30.20 O ATOM 1267 CB VAL A 82 21.330 -20.305 -37.502 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.046 -19.090 -36.632 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.635 -19.887 -38.933 1.00 55.33 C ATOM 0 H VAL A 82 23.883 -19.783 -37.741 1.00 53.33 H new ATOM 0 HA VAL A 82 22.272 -21.377 -35.883 1.00 75.02 H new ATOM 0 HB VAL A 82 20.438 -20.931 -37.513 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.219 -18.523 -37.058 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.782 -19.416 -35.626 1.00 54.42 H new ATOM 0 HG13 VAL A 82 21.934 -18.459 -36.587 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.800 -19.309 -39.329 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.539 -19.278 -38.949 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.785 -20.775 -39.547 1.00 55.33 H new ATOM 1279 N VAL A 83 22.009 -23.475 -37.268 1.00 45.51 N ATOM 1280 CA VAL A 83 22.075 -24.762 -37.949 1.00 23.24 C ATOM 1281 C VAL A 83 20.714 -25.447 -37.964 1.00 60.32 C ATOM 1282 O VAL A 83 19.928 -25.315 -37.025 1.00 51.55 O ATOM 1283 CB VAL A 83 23.100 -25.698 -37.281 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.625 -26.112 -35.897 1.00 32.22 C ATOM 1285 CG2 VAL A 83 23.355 -26.919 -38.153 1.00 63.11 C ATOM 0 H VAL A 83 21.434 -23.473 -36.426 1.00 45.51 H new ATOM 0 HA VAL A 83 22.389 -24.562 -38.973 1.00 23.24 H new ATOM 0 HB VAL A 83 24.039 -25.157 -37.169 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.363 -26.773 -35.442 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.499 -25.226 -35.275 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.672 -26.635 -35.981 1.00 32.22 H new ATOM 0 HG21 VAL A 83 24.082 -27.569 -37.665 1.00 63.11 H new ATOM 0 HG22 VAL A 83 22.422 -27.463 -38.299 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.744 -26.601 -39.120 1.00 63.11 H new ATOM 1377 N ILE A 90 15.543 -24.614 -37.485 1.00 10.10 N ATOM 1378 CA ILE A 90 16.775 -23.842 -37.378 1.00 62.35 C ATOM 1379 C ILE A 90 17.007 -23.372 -35.946 1.00 75.12 C ATOM 1380 O ILE A 90 16.120 -22.788 -35.323 1.00 35.51 O ATOM 1381 CB ILE A 90 16.756 -22.618 -38.312 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.335 -23.032 -39.723 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.122 -21.949 -38.336 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.320 -23.959 -40.401 1.00 52.12 C ATOM 0 HA ILE A 90 17.588 -24.503 -37.677 1.00 62.35 H new ATOM 0 HB ILE A 90 16.028 -21.901 -37.932 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.362 -23.522 -39.674 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.211 -22.138 -40.333 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.093 -21.086 -39.001 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.385 -21.624 -37.330 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.868 -22.658 -38.695 1.00 75.22 H new ATOM 0 HD11 ILE A 90 16.956 -24.211 -41.397 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.288 -23.465 -40.482 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.426 -24.870 -39.813 1.00 52.12 H new ATOM 1396 N ASN A 91 18.205 -23.629 -35.431 1.00 74.31 N ATOM 1397 CA ASN A 91 18.553 -23.232 -34.072 1.00 40.23 C ATOM 1398 C ASN A 91 19.948 -22.615 -34.026 1.00 12.32 C ATOM 1399 O ASN A 91 20.764 -22.835 -34.921 1.00 61.32 O ATOM 1400 CB ASN A 91 18.486 -24.437 -33.131 1.00 75.11 C ATOM 1401 CG ASN A 91 18.994 -25.708 -33.784 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.378 -26.232 -34.712 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.124 -26.211 -33.299 1.00 13.21 N ATOM 0 H ASN A 91 18.951 -24.110 -35.934 1.00 74.31 H new ATOM 0 HA ASN A 91 17.832 -22.484 -33.744 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.075 -24.230 -32.237 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.456 -24.585 -32.807 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.514 -27.065 -33.697 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.601 -25.743 -32.529 1.00 13.21 H new ATOM 1410 N ASN A 92 20.215 -21.843 -32.979 1.00 4.32 N ATOM 1411 CA ASN A 92 21.510 -21.194 -32.816 1.00 54.51 C ATOM 1412 C ASN A 92 22.547 -22.177 -32.280 1.00 33.33 C ATOM 1413 O ASN A 92 22.210 -23.287 -31.866 1.00 14.13 O ATOM 1414 CB ASN A 92 21.391 -19.997 -31.871 1.00 61.45 C ATOM 1415 CG ASN A 92 20.458 -18.928 -32.409 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.308 -18.821 -31.983 1.00 53.33 O ATOM 1417 ND2 ASN A 92 20.953 -18.131 -33.348 1.00 23.44 N ATOM 0 H ASN A 92 19.551 -21.651 -32.229 1.00 4.32 H new ATOM 0 HA ASN A 92 21.837 -20.844 -33.795 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.029 -20.338 -30.901 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.379 -19.566 -31.709 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.374 -17.392 -33.747 1.00 23.44 H new ATOM 0 HD22 ASN A 92 21.912 -18.257 -33.670 1.00 23.44 H new ATOM 1424 N LEU A 93 23.809 -21.761 -32.291 1.00 32.05 N ATOM 1425 CA LEU A 93 24.896 -22.604 -31.805 1.00 34.14 C ATOM 1426 C LEU A 93 25.785 -21.839 -30.831 1.00 2.14 C ATOM 1427 O LEU A 93 26.114 -20.675 -31.058 1.00 5.21 O ATOM 1428 CB LEU A 93 25.732 -23.118 -32.979 1.00 74.14 C ATOM 1429 CG LEU A 93 26.186 -24.576 -32.891 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.713 -24.889 -31.499 1.00 3.13 C ATOM 1431 CD2 LEU A 93 25.044 -25.514 -33.255 1.00 72.43 C ATOM 0 H LEU A 93 24.104 -20.846 -32.631 1.00 32.05 H new ATOM 0 HA LEU A 93 24.458 -23.452 -31.279 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.153 -22.993 -33.894 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.616 -22.488 -33.073 1.00 74.14 H new ATOM 0 HG LEU A 93 26.995 -24.727 -33.605 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.031 -25.931 -31.456 1.00 3.13 H new ATOM 0 HD12 LEU A 93 27.561 -24.241 -31.277 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.925 -24.720 -30.765 1.00 3.13 H new ATOM 0 HD21 LEU A 93 25.386 -26.547 -33.187 1.00 72.43 H new ATOM 0 HD22 LEU A 93 24.213 -25.360 -32.566 1.00 72.43 H new ATOM 0 HD23 LEU A 93 24.714 -25.308 -34.273 1.00 72.43 H new ATOM 1443 N ILE A 94 26.171 -22.501 -29.746 1.00 14.30 N ATOM 1444 CA ILE A 94 27.025 -21.884 -28.738 1.00 21.03 C ATOM 1445 C ILE A 94 28.097 -22.855 -28.257 1.00 2.32 C ATOM 1446 O ILE A 94 27.841 -24.048 -28.089 1.00 25.24 O ATOM 1447 CB ILE A 94 26.206 -21.400 -27.527 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.132 -20.810 -26.460 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.386 -22.544 -26.950 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.571 -19.576 -25.790 1.00 45.44 C ATOM 0 H ILE A 94 25.906 -23.465 -29.542 1.00 14.30 H new ATOM 0 HA ILE A 94 27.502 -21.025 -29.211 1.00 21.03 H new ATOM 0 HB ILE A 94 25.521 -20.620 -27.859 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.329 -21.568 -25.702 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.089 -20.562 -26.918 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.813 -22.186 -26.095 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.704 -22.923 -27.711 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.053 -23.345 -26.630 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.280 -19.212 -25.046 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.400 -18.802 -26.538 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.628 -19.824 -25.302 1.00 45.44 H new ATOM 1462 N HIS A 95 29.301 -22.336 -28.034 1.00 34.15 N ATOM 1463 CA HIS A 95 30.413 -23.157 -27.568 1.00 64.32 C ATOM 1464 C HIS A 95 31.087 -22.523 -26.355 1.00 64.02 C ATOM 1465 O HIS A 95 31.705 -21.463 -26.458 1.00 35.41 O ATOM 1466 CB HIS A 95 31.435 -23.352 -28.689 1.00 24.45 C ATOM 1467 CG HIS A 95 30.919 -24.165 -29.836 1.00 31.14 C ATOM 1468 ND1 HIS A 95 29.905 -23.932 -30.701 1.00 4.01 N flip ATOM 1469 CD2 HIS A 95 31.458 -25.382 -30.199 1.00 34.13 C flip ATOM 1470 CE1 HIS A 95 29.851 -25.000 -31.563 1.00 5.54 C flip ATOM 1471 NE2 HIS A 95 30.799 -25.860 -31.239 1.00 74.23 N flip ATOM 0 H HIS A 95 29.531 -21.351 -28.168 1.00 34.15 H new ATOM 0 HA HIS A 95 30.016 -24.129 -27.274 1.00 64.32 H new ATOM 0 HB2 HIS A 95 31.747 -22.375 -29.058 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.322 -23.837 -28.281 1.00 24.45 H new ATOM 0 HD2 HIS A 95 32.289 -25.868 -29.709 1.00 34.13 H new ATOM 0 HE1 HIS A 95 29.147 -25.117 -32.374 1.00 5.54 H new ATOM 0 HE2 HIS A 95 30.990 -26.743 -31.712 1.00 74.23 H new ATOM 1479 N VAL A 96 30.961 -23.177 -25.205 1.00 71.10 N ATOM 1480 CA VAL A 96 31.557 -22.677 -23.972 1.00 11.24 C ATOM 1481 C VAL A 96 32.876 -23.382 -23.674 1.00 23.32 C ATOM 1482 O VAL A 96 33.016 -24.583 -23.902 1.00 52.24 O ATOM 1483 CB VAL A 96 30.607 -22.864 -22.774 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.274 -22.402 -21.486 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.304 -22.115 -23.006 1.00 41.02 C ATOM 0 H VAL A 96 30.451 -24.054 -25.101 1.00 71.10 H new ATOM 0 HA VAL A 96 31.741 -21.613 -24.118 1.00 11.24 H new ATOM 0 HB VAL A 96 30.378 -23.925 -22.677 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.588 -22.542 -20.651 1.00 42.13 H new ATOM 0 HG12 VAL A 96 32.178 -22.986 -21.315 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.534 -21.347 -21.569 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.645 -22.258 -22.150 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.512 -21.052 -23.130 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.820 -22.497 -23.905 1.00 41.02 H new