USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1292 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: B 44 THR OG1 : rot -4:sc= 1.61 USER MOD Set 1.2: D 53 THR OG1 : rot 63:sc= -1.47 USER MOD Set 2.1: A 3 TYR OH : rot 119:sc= -2.88! USER MOD Set 2.2: D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 3 TYR OH : rot 119:sc= -2.66! USER MOD Set 3.2: C 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: B 53 THR OG1 : rot 59:sc= -1.38 USER MOD Set 4.2: D 44 THR OG1 : rot 0:sc= 1.49 USER MOD Set 5.1: B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: C 3 TYR OH : rot 119:sc= -3.01! USER MOD Set 6.1: A 53 THR OG1 : rot 64:sc= -1.5 USER MOD Set 6.2: C 44 THR OG1 : rot -4:sc= 1.56 USER MOD Set 7.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: D 3 TYR OH : rot 115:sc= -2.8! USER MOD Set 8.1: A 44 THR OG1 : rot -4:sc= 1.37 USER MOD Set 8.2: C 53 THR OG1 : rot 57:sc= -1.39 USER MOD Single : A 1 MET CE :methyl -146:sc= -2.29 (180deg=-4.79!) USER MOD Single : A 1 MET N :NH3+ -142:sc= 1.12 (180deg=0.319) USER MOD Single : A 2 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.29) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -117:sc= 1.21 (180deg=-0.362) USER MOD Single : A 32 GLN : amide:sc= -0.0327 K(o=-0.033,f=-0.92) USER MOD Single : A 35 ASN :FLIP amide:sc= -2.21 F(o=-5.4,f=-2.2) USER MOD Single : A 37 ASN : amide:sc= -8.12! C(o=-8.1!,f=-15!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.25 USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.73 USER MOD Single : B 1 MET CE :methyl -149:sc= -2.26 (180deg=-4.74!) USER MOD Single : B 1 MET N :NH3+ -144:sc= 1.11 (180deg=0.269) USER MOD Single : B 2 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.29) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.629 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -120:sc= 1.2 (180deg=-0.38) USER MOD Single : B 32 GLN : amide:sc= -0.0163 K(o=-0.016,f=-0.9) USER MOD Single : B 35 ASN :FLIP amide:sc= -2.29 F(o=-5.3,f=-2.3) USER MOD Single : B 37 ASN : amide:sc= -8.12! C(o=-8.1!,f=-15!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 THR OG1 : rot 180:sc= -2.25 USER MOD Single : B 55 THR OG1 : rot -160:sc= -0.865 USER MOD Single : C 1 MET CE :methyl -145:sc= -2.29 (180deg=-4.84!) USER MOD Single : C 1 MET N :NH3+ -145:sc= 1.14 (180deg=0.268) USER MOD Single : C 2 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.26) USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 25 THR OG1 : rot 180:sc= -0.644 USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 LYS NZ :NH3+ -97:sc= 1.21 (180deg=-0.38) USER MOD Single : C 32 GLN : amide:sc= -0.0279 K(o=-0.028,f=-0.95) USER MOD Single : C 35 ASN :FLIP amide:sc= -2.18 F(o=-5.4,f=-2.2) USER MOD Single : C 37 ASN : amide:sc= -8.07! C(o=-8.1!,f=-16!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 51 THR OG1 : rot 180:sc= -2.21 USER MOD Single : C 55 THR OG1 : rot -168:sc= -0.745 USER MOD Single : D 1 MET CE :methyl -146:sc= -2.2 (180deg=-4.75!) USER MOD Single : D 1 MET N :NH3+ -145:sc= 1.16 (180deg=0.292) USER MOD Single : D 2 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.27) USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 25 THR OG1 : rot 171:sc= -0.641 USER MOD Single : D 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 31 LYS NZ :NH3+ -119:sc= 1.25 (180deg=-0.349) USER MOD Single : D 32 GLN : amide:sc= -0.0398 K(o=-0.04,f=-0.96) USER MOD Single : D 35 ASN :FLIP amide:sc= -2.2 F(o=-5.3,f=-2.2) USER MOD Single : D 37 ASN : amide:sc= -8.1! C(o=-8.1!,f=-15!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 49 THR OG1 : rot 180:sc= 0 USER MOD Single : D 51 THR OG1 : rot 180:sc= -2.19 USER MOD Single : D 55 THR OG1 : rot -169:sc= -0.819 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.267 20.816 -0.463 1.00 0.00 N ATOM 2 CA MET A 1 9.516 20.225 0.674 1.00 0.00 C ATOM 3 C MET A 1 8.045 20.035 0.323 1.00 0.00 C ATOM 4 O MET A 1 7.365 20.982 -0.069 1.00 0.00 O ATOM 5 CB MET A 1 9.658 21.151 1.884 1.00 0.00 C ATOM 6 CG MET A 1 9.062 20.582 3.162 1.00 0.00 C ATOM 7 SD MET A 1 10.051 19.244 3.855 1.00 0.00 S ATOM 8 CE MET A 1 9.253 17.819 3.122 1.00 0.00 C ATOM 0 H1 MET A 1 11.212 20.385 -0.517 1.00 0.00 H new ATOM 0 H2 MET A 1 9.753 20.636 -1.349 1.00 0.00 H new ATOM 0 H3 MET A 1 10.362 21.842 -0.320 1.00 0.00 H new ATOM 0 HA MET A 1 9.926 19.242 0.904 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.715 21.360 2.048 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.176 22.103 1.661 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.968 21.379 3.900 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.056 20.216 2.957 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.283 16.985 3.823 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.216 18.062 2.891 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.774 17.542 2.206 1.00 0.00 H new ATOM 20 N GLN A 2 7.558 18.808 0.475 1.00 0.00 N ATOM 21 CA GLN A 2 6.164 18.496 0.179 1.00 0.00 C ATOM 22 C GLN A 2 5.298 18.704 1.414 1.00 0.00 C ATOM 23 O GLN A 2 5.548 18.113 2.465 1.00 0.00 O ATOM 24 CB GLN A 2 6.035 17.054 -0.318 1.00 0.00 C ATOM 25 CG GLN A 2 4.739 16.780 -1.064 1.00 0.00 C ATOM 26 CD GLN A 2 4.751 15.444 -1.780 1.00 0.00 C ATOM 27 OE1 GLN A 2 5.362 15.300 -2.839 1.00 0.00 O ATOM 28 NE2 GLN A 2 4.074 14.457 -1.204 1.00 0.00 N ATOM 0 H GLN A 2 8.108 18.013 0.801 1.00 0.00 H new ATOM 0 HA GLN A 2 5.820 19.170 -0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.876 16.828 -0.973 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.104 16.378 0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.907 16.804 -0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.566 17.575 -1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.582 14.621 -0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.046 13.535 -1.640 1.00 0.00 H new ATOM 37 N TYR A 3 4.286 19.560 1.290 1.00 0.00 N ATOM 38 CA TYR A 3 3.399 19.852 2.409 1.00 0.00 C ATOM 39 C TYR A 3 1.996 19.290 2.200 1.00 0.00 C ATOM 40 O TYR A 3 1.408 19.412 1.125 1.00 0.00 O ATOM 41 CB TYR A 3 3.324 21.360 2.649 1.00 0.00 C ATOM 42 CG TYR A 3 4.495 21.904 3.435 1.00 0.00 C ATOM 43 CD1 TYR A 3 5.647 22.345 2.795 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.447 21.975 4.821 1.00 0.00 C ATOM 45 CE1 TYR A 3 6.717 22.840 3.515 1.00 0.00 C ATOM 46 CE2 TYR A 3 5.512 22.470 5.549 1.00 0.00 C ATOM 47 CZ TYR A 3 6.645 22.901 4.891 1.00 0.00 C ATOM 48 OH TYR A 3 7.708 23.393 5.612 1.00 0.00 O ATOM 0 H TYR A 3 4.062 20.060 0.430 1.00 0.00 H new ATOM 0 HA TYR A 3 3.821 19.362 3.286 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.273 21.871 1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.401 21.590 3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.707 22.300 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.562 21.637 5.339 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.606 23.178 3.003 1.00 0.00 H new ATOM 0 HE2 TYR A 3 5.458 22.519 6.627 1.00 0.00 H new ATOM 0 HH TYR A 3 7.423 24.184 6.116 1.00 0.00 H new ATOM 58 N LYS A 4 1.477 18.675 3.258 1.00 0.00 N ATOM 59 CA LYS A 4 0.144 18.084 3.235 1.00 0.00 C ATOM 60 C LYS A 4 -0.837 18.931 4.038 1.00 0.00 C ATOM 61 O LYS A 4 -0.548 19.334 5.164 1.00 0.00 O ATOM 62 CB LYS A 4 0.182 16.660 3.793 1.00 0.00 C ATOM 63 CG LYS A 4 0.502 15.604 2.747 1.00 0.00 C ATOM 64 CD LYS A 4 0.111 14.214 3.223 1.00 0.00 C ATOM 65 CE LYS A 4 0.736 13.132 2.356 1.00 0.00 C ATOM 66 NZ LYS A 4 0.634 11.787 2.987 1.00 0.00 N ATOM 0 H LYS A 4 1.964 18.573 4.148 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.193 18.050 2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.927 16.610 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.783 16.430 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.026 15.835 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.568 15.626 2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.427 14.080 4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.974 14.114 3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.243 13.115 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.784 13.371 2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.071 11.078 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.127 11.795 3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.367 11.548 3.134 1.00 0.00 H new ATOM 80 N VAL A 5 -2.000 19.198 3.451 1.00 0.00 N ATOM 81 CA VAL A 5 -3.027 19.998 4.110 1.00 0.00 C ATOM 82 C VAL A 5 -4.420 19.458 3.806 1.00 0.00 C ATOM 83 O VAL A 5 -4.780 19.266 2.646 1.00 0.00 O ATOM 84 CB VAL A 5 -2.955 21.474 3.676 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.890 22.326 4.519 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.526 21.989 3.764 1.00 0.00 C ATOM 0 H VAL A 5 -2.255 18.871 2.519 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.840 19.934 5.182 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.277 21.543 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.825 23.365 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.914 21.972 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.603 22.252 5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.496 23.033 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.172 21.906 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.885 21.397 3.110 1.00 0.00 H new ATOM 96 N ILE A 6 -5.200 19.215 4.854 1.00 0.00 N ATOM 97 CA ILE A 6 -6.554 18.699 4.695 1.00 0.00 C ATOM 98 C ILE A 6 -7.591 19.815 4.782 1.00 0.00 C ATOM 99 O ILE A 6 -7.638 20.555 5.765 1.00 0.00 O ATOM 100 CB ILE A 6 -6.879 17.636 5.764 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.735 16.628 5.881 1.00 0.00 C ATOM 102 CG2 ILE A 6 -8.183 16.928 5.427 1.00 0.00 C ATOM 103 CD1 ILE A 6 -5.866 15.701 7.069 1.00 0.00 C ATOM 0 H ILE A 6 -4.918 19.367 5.822 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.598 18.243 3.706 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.996 18.135 6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.691 16.033 4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.791 17.168 5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.399 16.181 6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.994 17.656 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.092 16.440 4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.020 15.014 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.879 16.287 7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.793 15.134 6.987 1.00 0.00 H new ATOM 115 N LEU A 7 -8.432 19.922 3.758 1.00 0.00 N ATOM 116 CA LEU A 7 -9.482 20.935 3.728 1.00 0.00 C ATOM 117 C LEU A 7 -10.797 20.304 3.281 1.00 0.00 C ATOM 118 O LEU A 7 -10.916 19.839 2.148 1.00 0.00 O ATOM 119 CB LEU A 7 -9.098 22.082 2.786 1.00 0.00 C ATOM 120 CG LEU A 7 -8.399 23.269 3.457 1.00 0.00 C ATOM 121 CD1 LEU A 7 -6.893 23.062 3.467 1.00 0.00 C ATOM 122 CD2 LEU A 7 -8.756 24.571 2.751 1.00 0.00 C ATOM 0 H LEU A 7 -8.407 19.318 2.936 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.604 21.342 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.445 21.689 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.000 22.443 2.292 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.745 23.334 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.412 23.914 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.654 22.152 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.531 22.971 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.250 25.402 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.440 24.518 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.834 24.725 2.796 1.00 0.00 H new ATOM 337 N ASP A 22 -12.348 25.024 2.524 1.00 0.00 N ATOM 338 CA ASP A 22 -12.919 24.552 1.266 1.00 0.00 C ATOM 339 C ASP A 22 -11.838 24.332 0.222 1.00 0.00 C ATOM 340 O ASP A 22 -10.846 25.056 0.168 1.00 0.00 O ATOM 341 CB ASP A 22 -13.947 25.556 0.743 1.00 0.00 C ATOM 342 CG ASP A 22 -15.316 25.358 1.364 1.00 0.00 C ATOM 343 OD1 ASP A 22 -15.380 25.049 2.572 1.00 0.00 O ATOM 344 OD2 ASP A 22 -16.323 25.512 0.642 1.00 0.00 O ATOM 0 HA ASP A 22 -13.411 23.598 1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.600 26.568 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.025 25.461 -0.340 1.00 0.00 H new ATOM 349 N ALA A 23 -12.047 23.325 -0.610 1.00 0.00 N ATOM 350 CA ALA A 23 -11.108 22.993 -1.668 1.00 0.00 C ATOM 351 C ALA A 23 -10.729 24.232 -2.477 1.00 0.00 C ATOM 352 O ALA A 23 -9.557 24.449 -2.789 1.00 0.00 O ATOM 353 CB ALA A 23 -11.722 21.930 -2.559 1.00 0.00 C ATOM 0 H ALA A 23 -12.866 22.719 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.191 22.606 -1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.023 21.675 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.938 21.040 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.646 22.310 -2.995 1.00 0.00 H new ATOM 359 N ALA A 24 -11.729 25.046 -2.804 1.00 0.00 N ATOM 360 CA ALA A 24 -11.506 26.269 -3.568 1.00 0.00 C ATOM 361 C ALA A 24 -10.713 27.293 -2.759 1.00 0.00 C ATOM 362 O ALA A 24 -9.981 28.109 -3.319 1.00 0.00 O ATOM 363 CB ALA A 24 -12.834 26.862 -4.013 1.00 0.00 C ATOM 0 H ALA A 24 -12.703 24.880 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.919 26.011 -4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.653 27.774 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.362 26.143 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.440 27.095 -3.137 1.00 0.00 H new ATOM 369 N THR A 25 -10.870 27.245 -1.439 1.00 0.00 N ATOM 370 CA THR A 25 -10.175 28.170 -0.548 1.00 0.00 C ATOM 371 C THR A 25 -8.664 27.990 -0.649 1.00 0.00 C ATOM 372 O THR A 25 -7.909 28.961 -0.650 1.00 0.00 O ATOM 373 CB THR A 25 -10.632 27.949 0.897 1.00 0.00 C ATOM 374 OG1 THR A 25 -12.012 28.235 1.035 1.00 0.00 O ATOM 375 CG2 THR A 25 -9.885 28.793 1.907 1.00 0.00 C ATOM 0 H THR A 25 -11.473 26.575 -0.962 1.00 0.00 H new ATOM 0 HA THR A 25 -10.421 29.188 -0.851 1.00 0.00 H new ATOM 0 HB THR A 25 -10.420 26.900 1.104 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.286 28.086 1.964 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.263 28.583 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.822 28.557 1.863 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.032 29.849 1.678 1.00 0.00 H new ATOM 383 N PHE A 26 -8.236 26.738 -0.747 1.00 0.00 N ATOM 384 CA PHE A 26 -6.818 26.423 -0.862 1.00 0.00 C ATOM 385 C PHE A 26 -6.262 26.913 -2.198 1.00 0.00 C ATOM 386 O PHE A 26 -5.170 27.476 -2.262 1.00 0.00 O ATOM 387 CB PHE A 26 -6.592 24.917 -0.723 1.00 0.00 C ATOM 388 CG PHE A 26 -5.183 24.559 -0.346 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.750 24.693 0.964 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.293 24.092 -1.299 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.455 24.366 1.316 1.00 0.00 C ATOM 392 CE2 PHE A 26 -2.995 23.763 -0.951 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.576 23.901 0.358 1.00 0.00 C ATOM 0 H PHE A 26 -8.851 25.924 -0.749 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.291 26.935 -0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.274 24.523 0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.843 24.431 -1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.433 25.057 1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.615 23.984 -2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.130 24.474 2.340 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.310 23.399 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.563 23.646 0.632 1.00 0.00 H new ATOM 403 N GLU A 27 -7.021 26.677 -3.260 1.00 0.00 N ATOM 404 CA GLU A 27 -6.619 27.067 -4.609 1.00 0.00 C ATOM 405 C GLU A 27 -6.371 28.570 -4.727 1.00 0.00 C ATOM 406 O GLU A 27 -5.316 28.997 -5.197 1.00 0.00 O ATOM 407 CB GLU A 27 -7.695 26.644 -5.612 1.00 0.00 C ATOM 408 CG GLU A 27 -7.333 26.942 -7.059 1.00 0.00 C ATOM 409 CD GLU A 27 -8.469 27.592 -7.823 1.00 0.00 C ATOM 410 OE1 GLU A 27 -9.555 26.980 -7.909 1.00 0.00 O ATOM 411 OE2 GLU A 27 -8.274 28.714 -8.336 1.00 0.00 O ATOM 0 H GLU A 27 -7.928 26.213 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.680 26.560 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.878 25.575 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.627 27.153 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.462 27.597 -7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.049 26.015 -7.557 1.00 0.00 H new ATOM 418 N LYS A 28 -7.357 29.367 -4.333 1.00 0.00 N ATOM 419 CA LYS A 28 -7.254 30.821 -4.433 1.00 0.00 C ATOM 420 C LYS A 28 -6.215 31.407 -3.477 1.00 0.00 C ATOM 421 O LYS A 28 -5.406 32.244 -3.876 1.00 0.00 O ATOM 422 CB LYS A 28 -8.614 31.466 -4.167 1.00 0.00 C ATOM 423 CG LYS A 28 -8.707 32.906 -4.642 1.00 0.00 C ATOM 424 CD LYS A 28 -10.098 33.480 -4.425 1.00 0.00 C ATOM 425 CE LYS A 28 -11.083 32.957 -5.457 1.00 0.00 C ATOM 426 NZ LYS A 28 -12.262 33.856 -5.605 1.00 0.00 N ATOM 0 H LYS A 28 -8.237 29.033 -3.941 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.926 31.043 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.388 30.879 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.821 31.431 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.975 33.513 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.453 32.957 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.447 33.223 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.056 34.568 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.581 32.855 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.419 31.962 -5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.910 33.464 -6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.756 33.933 -4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.944 34.799 -5.907 1.00 0.00 H new ATOM 440 N VAL A 29 -6.239 30.980 -2.220 1.00 0.00 N ATOM 441 CA VAL A 29 -5.295 31.487 -1.226 1.00 0.00 C ATOM 442 C VAL A 29 -3.850 31.138 -1.570 1.00 0.00 C ATOM 443 O VAL A 29 -2.953 31.969 -1.430 1.00 0.00 O ATOM 444 CB VAL A 29 -5.613 30.944 0.180 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.638 31.504 1.208 1.00 0.00 C ATOM 446 CG2 VAL A 29 -7.049 31.267 0.563 1.00 0.00 C ATOM 0 H VAL A 29 -6.898 30.287 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.406 32.571 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.499 29.860 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.881 31.107 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.622 31.215 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.713 32.591 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.257 30.876 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.192 32.348 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.729 30.809 -0.155 1.00 0.00 H new ATOM 456 N VAL A 30 -3.627 29.902 -1.998 1.00 0.00 N ATOM 457 CA VAL A 30 -2.283 29.446 -2.334 1.00 0.00 C ATOM 458 C VAL A 30 -1.768 30.059 -3.630 1.00 0.00 C ATOM 459 O VAL A 30 -0.614 30.483 -3.699 1.00 0.00 O ATOM 460 CB VAL A 30 -2.208 27.908 -2.425 1.00 0.00 C ATOM 461 CG1 VAL A 30 -0.783 27.453 -2.711 1.00 0.00 C ATOM 462 CG2 VAL A 30 -2.722 27.276 -1.141 1.00 0.00 C ATOM 0 H VAL A 30 -4.356 29.199 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.642 29.784 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.841 27.582 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.754 26.365 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.448 27.878 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.126 27.790 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.663 26.191 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.114 27.612 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.759 27.572 -0.979 1.00 0.00 H new ATOM 472 N LYS A 31 -2.607 30.109 -4.659 1.00 0.00 N ATOM 473 CA LYS A 31 -2.195 30.676 -5.936 1.00 0.00 C ATOM 474 C LYS A 31 -1.864 32.156 -5.789 1.00 0.00 C ATOM 475 O LYS A 31 -0.839 32.627 -6.276 1.00 0.00 O ATOM 476 CB LYS A 31 -3.306 30.490 -6.973 1.00 0.00 C ATOM 477 CG LYS A 31 -2.929 30.959 -8.369 1.00 0.00 C ATOM 478 CD LYS A 31 -3.714 30.214 -9.438 1.00 0.00 C ATOM 479 CE LYS A 31 -3.099 28.855 -9.733 1.00 0.00 C ATOM 480 NZ LYS A 31 -3.447 28.374 -11.099 1.00 0.00 N ATOM 0 H LYS A 31 -3.568 29.767 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.299 30.154 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.577 29.435 -7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.192 31.034 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.117 32.029 -8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.861 30.808 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.745 30.085 -9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.742 30.808 -10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.015 28.918 -9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.444 28.132 -8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.005 27.499 -11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.004 29.101 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.575 28.185 -11.633 1.00 0.00 H new ATOM 494 N GLN A 32 -2.740 32.884 -5.109 1.00 0.00 N ATOM 495 CA GLN A 32 -2.543 34.309 -4.893 1.00 0.00 C ATOM 496 C GLN A 32 -1.304 34.577 -4.043 1.00 0.00 C ATOM 497 O GLN A 32 -0.507 35.461 -4.358 1.00 0.00 O ATOM 498 CB GLN A 32 -3.775 34.921 -4.225 1.00 0.00 C ATOM 499 CG GLN A 32 -3.715 36.435 -4.109 1.00 0.00 C ATOM 500 CD GLN A 32 -3.809 37.128 -5.454 1.00 0.00 C ATOM 501 OE1 GLN A 32 -4.389 36.595 -6.400 1.00 0.00 O ATOM 502 NE2 GLN A 32 -3.238 38.324 -5.545 1.00 0.00 N ATOM 0 H GLN A 32 -3.595 32.509 -4.697 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.394 34.774 -5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.662 34.643 -4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.888 34.493 -3.229 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.528 36.779 -3.470 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.783 36.721 -3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.768 38.728 -4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.270 38.839 -6.425 1.00 0.00 H new ATOM 511 N PHE A 33 -1.139 33.809 -2.967 1.00 0.00 N ATOM 512 CA PHE A 33 0.003 33.957 -2.073 1.00 0.00 C ATOM 513 C PHE A 33 1.326 33.555 -2.728 1.00 0.00 C ATOM 514 O PHE A 33 2.313 34.284 -2.632 1.00 0.00 O ATOM 515 CB PHE A 33 -0.272 33.159 -0.789 1.00 0.00 C ATOM 516 CG PHE A 33 0.944 32.751 -0.002 1.00 0.00 C ATOM 517 CD1 PHE A 33 1.844 33.687 0.483 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.162 31.412 0.273 1.00 0.00 C ATOM 519 CE1 PHE A 33 2.947 33.287 1.220 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.259 31.008 1.007 1.00 0.00 C ATOM 521 CZ PHE A 33 3.153 31.944 1.480 1.00 0.00 C ATOM 0 H PHE A 33 -1.789 33.072 -2.694 1.00 0.00 H new ATOM 0 HA PHE A 33 0.120 35.013 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.917 33.755 -0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.829 32.260 -1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.684 34.737 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.464 30.673 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.645 34.023 1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.417 29.959 1.210 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.013 31.630 2.053 1.00 0.00 H new ATOM 531 N PHE A 34 1.350 32.400 -3.381 1.00 0.00 N ATOM 532 CA PHE A 34 2.569 31.927 -4.031 1.00 0.00 C ATOM 533 C PHE A 34 2.883 32.692 -5.320 1.00 0.00 C ATOM 534 O PHE A 34 4.050 32.901 -5.646 1.00 0.00 O ATOM 535 CB PHE A 34 2.503 30.418 -4.264 1.00 0.00 C ATOM 536 CG PHE A 34 2.848 29.650 -3.019 1.00 0.00 C ATOM 537 CD1 PHE A 34 1.884 29.382 -2.059 1.00 0.00 C ATOM 538 CD2 PHE A 34 4.148 29.228 -2.793 1.00 0.00 C ATOM 539 CE1 PHE A 34 2.214 28.708 -0.896 1.00 0.00 C ATOM 540 CE2 PHE A 34 4.482 28.550 -1.636 1.00 0.00 C ATOM 541 CZ PHE A 34 3.515 28.292 -0.685 1.00 0.00 C ATOM 0 H PHE A 34 0.548 31.777 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 34 3.399 32.129 -3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.501 30.144 -4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.190 30.142 -5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.865 29.702 -2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.910 29.431 -3.531 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.455 28.507 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.499 28.222 -1.476 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.775 27.766 0.222 1.00 0.00 H new ATOM 551 N ASN A 35 1.854 33.129 -6.040 1.00 0.00 N ATOM 552 CA ASN A 35 2.071 33.892 -7.271 1.00 0.00 C ATOM 553 C ASN A 35 2.917 35.136 -6.995 1.00 0.00 C ATOM 554 O ASN A 35 3.670 35.596 -7.853 1.00 0.00 O ATOM 555 CB ASN A 35 0.738 34.292 -7.917 1.00 0.00 C ATOM 556 CG ASN A 35 0.118 33.180 -8.749 1.00 0.00 C ATOM 557 OD1 ASN A 35 0.394 31.928 -8.395 1.00 0.00 O flip ATOM 558 ND2 ASN A 35 -0.607 33.447 -9.708 1.00 0.00 N flip ATOM 0 H ASN A 35 0.875 32.973 -5.800 1.00 0.00 H new ATOM 0 HA ASN A 35 2.610 33.250 -7.968 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.037 34.587 -7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.896 35.165 -8.550 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.796 34.420 -9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.019 32.695 -10.261 1.00 0.00 H new ATOM 565 N ASP A 36 2.785 35.667 -5.784 1.00 0.00 N ATOM 566 CA ASP A 36 3.529 36.852 -5.363 1.00 0.00 C ATOM 567 C ASP A 36 5.040 36.615 -5.385 1.00 0.00 C ATOM 568 O ASP A 36 5.823 37.565 -5.385 1.00 0.00 O ATOM 569 CB ASP A 36 3.091 37.279 -3.961 1.00 0.00 C ATOM 570 CG ASP A 36 1.697 37.876 -3.947 1.00 0.00 C ATOM 571 OD1 ASP A 36 1.355 38.606 -4.901 1.00 0.00 O ATOM 572 OD2 ASP A 36 0.948 37.613 -2.983 1.00 0.00 O ATOM 0 H ASP A 36 2.163 35.291 -5.069 1.00 0.00 H new ATOM 0 HA ASP A 36 3.306 37.647 -6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.120 36.416 -3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.800 38.008 -3.568 1.00 0.00 H new ATOM 577 N ASN A 37 5.446 35.347 -5.395 1.00 0.00 N ATOM 578 CA ASN A 37 6.868 35.008 -5.408 1.00 0.00 C ATOM 579 C ASN A 37 7.324 34.503 -6.776 1.00 0.00 C ATOM 580 O ASN A 37 8.511 34.567 -7.097 1.00 0.00 O ATOM 581 CB ASN A 37 7.189 33.974 -4.327 1.00 0.00 C ATOM 582 CG ASN A 37 6.531 32.635 -4.583 1.00 0.00 C ATOM 583 OD1 ASN A 37 6.763 32.003 -5.613 1.00 0.00 O ATOM 584 ND2 ASN A 37 5.706 32.196 -3.641 1.00 0.00 N ATOM 0 H ASN A 37 4.817 34.544 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 37 7.418 35.925 -5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.269 33.838 -4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.864 34.354 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.233 31.299 -3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.545 32.755 -2.803 1.00 0.00 H new ATOM 591 N GLY A 38 6.389 34.019 -7.590 1.00 0.00 N ATOM 592 CA GLY A 38 6.750 33.540 -8.914 1.00 0.00 C ATOM 593 C GLY A 38 6.180 32.172 -9.254 1.00 0.00 C ATOM 594 O GLY A 38 6.606 31.549 -10.226 1.00 0.00 O ATOM 0 H GLY A 38 5.398 33.950 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.406 34.260 -9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.837 33.499 -8.990 1.00 0.00 H new ATOM 598 N VAL A 39 5.216 31.701 -8.469 1.00 0.00 N ATOM 599 CA VAL A 39 4.604 30.401 -8.722 1.00 0.00 C ATOM 600 C VAL A 39 3.411 30.537 -9.662 1.00 0.00 C ATOM 601 O VAL A 39 2.666 31.515 -9.595 1.00 0.00 O ATOM 602 CB VAL A 39 4.141 29.723 -7.418 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.661 28.305 -7.695 1.00 0.00 C ATOM 604 CG2 VAL A 39 5.261 29.724 -6.391 1.00 0.00 C ATOM 0 H VAL A 39 4.844 32.196 -7.658 1.00 0.00 H new ATOM 0 HA VAL A 39 5.369 29.778 -9.187 1.00 0.00 H new ATOM 0 HB VAL A 39 3.305 30.291 -7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.338 27.842 -6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.826 28.334 -8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.475 27.723 -8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.916 29.241 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.119 29.180 -6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.552 30.751 -6.172 1.00 0.00 H new ATOM 614 N ASP A 40 3.232 29.554 -10.540 1.00 0.00 N ATOM 615 CA ASP A 40 2.126 29.576 -11.489 1.00 0.00 C ATOM 616 C ASP A 40 1.800 28.172 -11.991 1.00 0.00 C ATOM 617 O ASP A 40 2.429 27.193 -11.589 1.00 0.00 O ATOM 618 CB ASP A 40 2.464 30.484 -12.674 1.00 0.00 C ATOM 619 CG ASP A 40 2.264 31.952 -12.355 1.00 0.00 C ATOM 620 OD1 ASP A 40 1.144 32.460 -12.576 1.00 0.00 O ATOM 621 OD2 ASP A 40 3.226 32.594 -11.884 1.00 0.00 O ATOM 0 H ASP A 40 3.837 28.736 -10.613 1.00 0.00 H new ATOM 0 HA ASP A 40 1.250 29.967 -10.972 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.499 30.318 -12.971 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.840 30.212 -13.526 1.00 0.00 H new ATOM 626 N GLY A 41 0.809 28.087 -12.872 1.00 0.00 N ATOM 627 CA GLY A 41 0.405 26.805 -13.420 1.00 0.00 C ATOM 628 C GLY A 41 -1.036 26.465 -13.093 1.00 0.00 C ATOM 629 O GLY A 41 -1.890 27.349 -13.040 1.00 0.00 O ATOM 0 H GLY A 41 0.277 28.886 -13.217 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.536 26.818 -14.502 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.057 26.024 -13.029 1.00 0.00 H new ATOM 633 N GLU A 42 -1.310 25.181 -12.878 1.00 0.00 N ATOM 634 CA GLU A 42 -2.661 24.734 -12.560 1.00 0.00 C ATOM 635 C GLU A 42 -2.633 23.523 -11.634 1.00 0.00 C ATOM 636 O GLU A 42 -1.661 22.768 -11.610 1.00 0.00 O ATOM 637 CB GLU A 42 -3.423 24.392 -13.841 1.00 0.00 C ATOM 638 CG GLU A 42 -3.611 25.578 -14.772 1.00 0.00 C ATOM 639 CD GLU A 42 -4.748 25.373 -15.754 1.00 0.00 C ATOM 640 OE1 GLU A 42 -5.890 25.145 -15.303 1.00 0.00 O ATOM 641 OE2 GLU A 42 -4.496 25.439 -16.976 1.00 0.00 O ATOM 0 H GLU A 42 -0.616 24.435 -12.918 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.172 25.548 -12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.888 23.605 -14.373 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.401 23.990 -13.576 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.804 26.473 -14.180 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.687 25.753 -15.323 1.00 0.00 H new ATOM 648 N TRP A 43 -3.709 23.343 -10.876 1.00 0.00 N ATOM 649 CA TRP A 43 -3.814 22.223 -9.949 1.00 0.00 C ATOM 650 C TRP A 43 -4.064 20.921 -10.688 1.00 0.00 C ATOM 651 O TRP A 43 -5.074 20.761 -11.371 1.00 0.00 O ATOM 652 CB TRP A 43 -4.927 22.479 -8.934 1.00 0.00 C ATOM 653 CG TRP A 43 -4.649 23.650 -8.044 1.00 0.00 C ATOM 654 CD1 TRP A 43 -4.957 24.957 -8.289 1.00 0.00 C ATOM 655 CD2 TRP A 43 -3.998 23.622 -6.768 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.539 25.744 -7.244 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.947 24.949 -6.298 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.454 22.605 -5.979 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.374 25.282 -5.074 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -2.886 22.939 -4.764 1.00 0.00 C ATOM 661 CH2 TRP A 43 -2.849 24.267 -4.322 1.00 0.00 C ATOM 0 H TRP A 43 -4.522 23.959 -10.886 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.866 22.133 -9.419 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.864 22.648 -9.465 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.064 21.588 -8.321 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.457 25.319 -9.175 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.651 26.756 -7.182 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.477 21.578 -6.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.345 26.305 -4.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.463 22.162 -4.145 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.397 24.495 -3.368 1.00 0.00 H new ATOM 672 N THR A 44 -3.131 19.990 -10.540 1.00 0.00 N ATOM 673 CA THR A 44 -3.240 18.694 -11.184 1.00 0.00 C ATOM 674 C THR A 44 -3.492 17.605 -10.152 1.00 0.00 C ATOM 675 O THR A 44 -2.929 17.625 -9.058 1.00 0.00 O ATOM 676 CB THR A 44 -1.968 18.381 -11.974 1.00 0.00 C ATOM 677 OG1 THR A 44 -0.850 18.299 -11.109 1.00 0.00 O ATOM 678 CG2 THR A 44 -1.653 19.415 -13.035 1.00 0.00 C ATOM 0 H THR A 44 -2.289 20.112 -9.977 1.00 0.00 H new ATOM 0 HA THR A 44 -4.084 18.725 -11.874 1.00 0.00 H new ATOM 0 HB THR A 44 -2.159 17.427 -12.465 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.126 18.522 -10.196 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.739 19.133 -13.558 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.477 19.468 -13.747 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.516 20.389 -12.565 1.00 0.00 H new ATOM 686 N TYR A 45 -4.335 16.653 -10.515 1.00 0.00 N ATOM 687 CA TYR A 45 -4.659 15.542 -9.630 1.00 0.00 C ATOM 688 C TYR A 45 -3.462 14.610 -9.484 1.00 0.00 C ATOM 689 O TYR A 45 -2.736 14.361 -10.446 1.00 0.00 O ATOM 690 CB TYR A 45 -5.874 14.771 -10.154 1.00 0.00 C ATOM 691 CG TYR A 45 -7.195 15.427 -9.820 1.00 0.00 C ATOM 692 CD1 TYR A 45 -7.794 15.232 -8.582 1.00 0.00 C ATOM 693 CD2 TYR A 45 -7.844 16.242 -10.740 1.00 0.00 C ATOM 694 CE1 TYR A 45 -9.001 15.828 -8.270 1.00 0.00 C ATOM 695 CE2 TYR A 45 -9.050 16.842 -10.435 1.00 0.00 C ATOM 696 CZ TYR A 45 -9.625 16.633 -9.200 1.00 0.00 C ATOM 697 OH TYR A 45 -10.827 17.228 -8.893 1.00 0.00 O ATOM 0 H TYR A 45 -4.809 16.625 -11.418 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.905 15.947 -8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.791 14.670 -11.236 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.862 13.764 -9.738 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.308 14.604 -7.850 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.398 16.409 -11.709 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.453 15.664 -7.303 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.541 17.473 -11.162 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.131 17.763 -9.656 1.00 0.00 H new ATOM 707 N ASP A 46 -3.254 14.104 -8.273 1.00 0.00 N ATOM 708 CA ASP A 46 -2.134 13.210 -8.003 1.00 0.00 C ATOM 709 C ASP A 46 -2.355 11.846 -8.649 1.00 0.00 C ATOM 710 O ASP A 46 -3.482 11.485 -8.992 1.00 0.00 O ATOM 711 CB ASP A 46 -1.943 13.038 -6.495 1.00 0.00 C ATOM 712 CG ASP A 46 -1.762 14.361 -5.778 1.00 0.00 C ATOM 713 OD1 ASP A 46 -2.481 15.324 -6.118 1.00 0.00 O ATOM 714 OD2 ASP A 46 -0.903 14.434 -4.875 1.00 0.00 O ATOM 0 H ASP A 46 -3.845 14.297 -7.464 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.238 13.658 -8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.807 12.519 -6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.073 12.407 -6.312 1.00 0.00 H new ATOM 719 N ASP A 47 -1.274 11.093 -8.814 1.00 0.00 N ATOM 720 CA ASP A 47 -1.349 9.769 -9.421 1.00 0.00 C ATOM 721 C ASP A 47 -2.146 8.818 -8.535 1.00 0.00 C ATOM 722 O ASP A 47 -1.867 8.681 -7.344 1.00 0.00 O ATOM 723 CB ASP A 47 0.056 9.211 -9.657 1.00 0.00 C ATOM 724 CG ASP A 47 0.823 9.997 -10.702 1.00 0.00 C ATOM 725 OD1 ASP A 47 0.450 9.925 -11.892 1.00 0.00 O ATOM 726 OD2 ASP A 47 1.797 10.686 -10.330 1.00 0.00 O ATOM 0 H ASP A 47 -0.335 11.377 -8.536 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.858 9.861 -10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.611 9.222 -8.719 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.018 8.170 -9.971 1.00 0.00 H new ATOM 731 N ALA A 48 -3.145 8.171 -9.125 1.00 0.00 N ATOM 732 CA ALA A 48 -3.996 7.241 -8.391 1.00 0.00 C ATOM 733 C ALA A 48 -3.182 6.148 -7.707 1.00 0.00 C ATOM 734 O ALA A 48 -2.177 5.677 -8.239 1.00 0.00 O ATOM 735 CB ALA A 48 -5.025 6.624 -9.327 1.00 0.00 C ATOM 0 H ALA A 48 -3.386 8.274 -10.111 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.509 7.805 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.655 5.931 -8.769 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.644 7.411 -9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.514 6.087 -10.126 1.00 0.00 H new ATOM 741 N THR A 49 -3.634 5.749 -6.523 1.00 0.00 N ATOM 742 CA THR A 49 -2.967 4.707 -5.749 1.00 0.00 C ATOM 743 C THR A 49 -3.997 3.806 -5.078 1.00 0.00 C ATOM 744 O THR A 49 -5.137 4.213 -4.855 1.00 0.00 O ATOM 745 CB THR A 49 -2.048 5.331 -4.697 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.298 6.395 -5.255 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.068 4.344 -4.099 1.00 0.00 C ATOM 0 H THR A 49 -4.466 6.134 -6.075 1.00 0.00 H new ATOM 0 HA THR A 49 -2.363 4.105 -6.427 1.00 0.00 H new ATOM 0 HB THR A 49 -2.710 5.686 -3.907 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.717 6.782 -4.567 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.446 4.850 -3.361 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.616 3.534 -3.618 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.435 3.936 -4.887 1.00 0.00 H new ATOM 755 N LYS A 50 -3.597 2.578 -4.760 1.00 0.00 N ATOM 756 CA LYS A 50 -4.503 1.630 -4.121 1.00 0.00 C ATOM 757 C LYS A 50 -3.950 1.152 -2.782 1.00 0.00 C ATOM 758 O LYS A 50 -2.841 0.624 -2.706 1.00 0.00 O ATOM 759 CB LYS A 50 -4.752 0.433 -5.041 1.00 0.00 C ATOM 760 CG LYS A 50 -5.909 0.639 -6.005 1.00 0.00 C ATOM 761 CD LYS A 50 -6.068 -0.543 -6.946 1.00 0.00 C ATOM 762 CE LYS A 50 -5.439 -0.266 -8.302 1.00 0.00 C ATOM 763 NZ LYS A 50 -6.129 -1.004 -9.397 1.00 0.00 N ATOM 0 H LYS A 50 -2.658 2.218 -4.933 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.447 2.143 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.846 0.229 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.950 -0.449 -4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.831 0.784 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.743 1.547 -6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.607 -1.426 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.127 -0.767 -7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.475 0.804 -8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.387 -0.551 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.670 -0.788 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.073 -2.027 -9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.127 -0.714 -9.436 1.00 0.00 H new ATOM 777 N THR A 51 -4.741 1.341 -1.731 1.00 0.00 N ATOM 778 CA THR A 51 -4.351 0.931 -0.388 1.00 0.00 C ATOM 779 C THR A 51 -5.142 -0.304 0.043 1.00 0.00 C ATOM 780 O THR A 51 -6.366 -0.340 -0.083 1.00 0.00 O ATOM 781 CB THR A 51 -4.575 2.085 0.596 1.00 0.00 C ATOM 782 OG1 THR A 51 -3.712 3.167 0.296 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.339 1.704 2.042 1.00 0.00 C ATOM 0 H THR A 51 -5.661 1.778 -1.785 1.00 0.00 H new ATOM 0 HA THR A 51 -3.292 0.674 -0.391 1.00 0.00 H new ATOM 0 HB THR A 51 -5.623 2.361 0.479 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.868 3.896 0.932 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.516 2.570 2.680 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.021 0.901 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.310 1.366 2.166 1.00 0.00 H new ATOM 791 N PHE A 52 -4.437 -1.311 0.550 1.00 0.00 N ATOM 792 CA PHE A 52 -5.079 -2.545 0.998 1.00 0.00 C ATOM 793 C PHE A 52 -5.678 -2.384 2.391 1.00 0.00 C ATOM 794 O PHE A 52 -4.964 -2.117 3.356 1.00 0.00 O ATOM 795 CB PHE A 52 -4.078 -3.702 0.995 1.00 0.00 C ATOM 796 CG PHE A 52 -4.708 -5.042 1.252 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.277 -5.765 0.216 1.00 0.00 C ATOM 798 CD2 PHE A 52 -4.729 -5.578 2.529 1.00 0.00 C ATOM 799 CE1 PHE A 52 -5.856 -6.998 0.450 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.307 -6.810 2.770 1.00 0.00 C ATOM 801 CZ PHE A 52 -5.871 -7.521 1.729 1.00 0.00 C ATOM 0 H PHE A 52 -3.423 -1.298 0.661 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.887 -2.768 0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.568 -3.728 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.318 -3.516 1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.268 -5.361 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.288 -5.026 3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.296 -7.552 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.318 -7.216 3.771 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.323 -8.484 1.914 1.00 0.00 H new ATOM 811 N THR A 53 -6.991 -2.564 2.491 1.00 0.00 N ATOM 812 CA THR A 53 -7.680 -2.452 3.771 1.00 0.00 C ATOM 813 C THR A 53 -7.820 -3.825 4.420 1.00 0.00 C ATOM 814 O THR A 53 -8.366 -4.751 3.820 1.00 0.00 O ATOM 815 CB THR A 53 -9.060 -1.819 3.583 1.00 0.00 C ATOM 816 OG1 THR A 53 -8.945 -0.533 2.999 1.00 0.00 O ATOM 817 CG2 THR A 53 -9.832 -1.667 4.876 1.00 0.00 C ATOM 0 H THR A 53 -7.598 -2.788 1.702 1.00 0.00 H new ATOM 0 HA THR A 53 -7.088 -1.812 4.425 1.00 0.00 H new ATOM 0 HB THR A 53 -9.605 -2.503 2.932 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.564 -0.615 2.100 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.801 -1.212 4.670 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.981 -2.647 5.328 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.271 -1.032 5.562 1.00 0.00 H new ATOM 825 N VAL A 54 -7.321 -3.956 5.646 1.00 0.00 N ATOM 826 CA VAL A 54 -7.392 -5.224 6.363 1.00 0.00 C ATOM 827 C VAL A 54 -8.819 -5.534 6.793 1.00 0.00 C ATOM 828 O VAL A 54 -9.647 -4.634 6.939 1.00 0.00 O ATOM 829 CB VAL A 54 -6.487 -5.228 7.610 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.313 -6.644 8.136 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.138 -4.597 7.301 1.00 0.00 C ATOM 0 H VAL A 54 -6.865 -3.203 6.161 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.044 -5.990 5.670 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.968 -4.631 8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.671 -6.629 9.017 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.286 -7.055 8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.857 -7.265 7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.516 -4.611 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.646 -5.160 6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.284 -3.567 6.977 1.00 0.00 H new ATOM 841 N THR A 55 -9.099 -6.816 6.994 1.00 0.00 N ATOM 842 CA THR A 55 -10.426 -7.255 7.408 1.00 0.00 C ATOM 843 C THR A 55 -10.339 -8.517 8.257 1.00 0.00 C ATOM 844 O THR A 55 -10.634 -8.499 9.451 1.00 0.00 O ATOM 845 CB THR A 55 -11.303 -7.509 6.183 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.340 -6.367 5.346 1.00 0.00 O ATOM 847 CG2 THR A 55 -12.731 -7.869 6.532 1.00 0.00 C ATOM 0 H THR A 55 -8.423 -7.571 6.877 1.00 0.00 H new ATOM 0 HA THR A 55 -10.874 -6.465 8.010 1.00 0.00 H new ATOM 0 HB THR A 55 -10.846 -8.357 5.673 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.124 -6.416 4.760 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.298 -8.036 5.616 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.740 -8.777 7.135 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.184 -7.054 7.096 1.00 0.00 H new ATOM 855 N GLU A 56 -9.931 -9.610 7.628 1.00 0.00 N ATOM 856 CA GLU A 56 -9.800 -10.888 8.316 1.00 0.00 C ATOM 857 C GLU A 56 -11.138 -11.332 8.899 1.00 0.00 C ATOM 858 O GLU A 56 -11.856 -12.092 8.215 1.00 0.00 O ATOM 859 CB GLU A 56 -8.755 -10.788 9.428 1.00 0.00 C ATOM 860 CG GLU A 56 -7.322 -10.802 8.919 1.00 0.00 C ATOM 861 CD GLU A 56 -6.327 -10.339 9.965 1.00 0.00 C ATOM 862 OE1 GLU A 56 -5.983 -11.144 10.855 1.00 0.00 O ATOM 863 OE2 GLU A 56 -5.892 -9.171 9.894 1.00 0.00 O ATOM 864 OXT GLU A 56 -11.455 -10.917 10.033 1.00 0.00 O ATOM 0 H GLU A 56 -9.684 -9.638 6.639 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.476 -11.632 7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.923 -9.870 9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.894 -11.618 10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.064 -11.812 8.599 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.246 -10.160 8.041 1.00 0.00 H new ATOM 872 N MET B 1 -10.261 17.096 1.965 1.00 0.00 N ATOM 873 CA MET B 1 -9.420 17.122 0.740 1.00 0.00 C ATOM 874 C MET B 1 -7.947 17.309 1.088 1.00 0.00 C ATOM 875 O MET B 1 -7.576 18.267 1.765 1.00 0.00 O ATOM 876 CB MET B 1 -9.901 18.265 -0.156 1.00 0.00 C ATOM 877 CG MET B 1 -9.216 18.306 -1.513 1.00 0.00 C ATOM 878 SD MET B 1 -9.771 16.987 -2.611 1.00 0.00 S ATOM 879 CE MET B 1 -8.538 15.731 -2.279 1.00 0.00 C ATOM 0 H1 MET B 1 -11.040 16.419 1.837 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.681 16.806 2.778 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.651 18.044 2.138 1.00 0.00 H new ATOM 0 HA MET B 1 -9.516 16.170 0.218 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.977 18.171 -0.304 1.00 0.00 H new ATOM 0 HB3 MET B 1 -9.731 19.212 0.356 1.00 0.00 H new ATOM 0 HG2 MET B 1 -9.408 19.270 -1.984 1.00 0.00 H new ATOM 0 HG3 MET B 1 -8.138 18.228 -1.374 1.00 0.00 H new ATOM 0 HE1 MET B 1 -8.376 15.134 -3.176 1.00 0.00 H new ATOM 0 HE2 MET B 1 -7.602 16.208 -1.987 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.884 15.086 -1.471 1.00 0.00 H new ATOM 891 N GLN B 2 -7.110 16.390 0.616 1.00 0.00 N ATOM 892 CA GLN B 2 -5.676 16.456 0.875 1.00 0.00 C ATOM 893 C GLN B 2 -4.976 17.268 -0.208 1.00 0.00 C ATOM 894 O GLN B 2 -5.078 16.956 -1.395 1.00 0.00 O ATOM 895 CB GLN B 2 -5.083 15.047 0.941 1.00 0.00 C ATOM 896 CG GLN B 2 -3.733 14.987 1.638 1.00 0.00 C ATOM 897 CD GLN B 2 -3.297 13.567 1.940 1.00 0.00 C ATOM 898 OE1 GLN B 2 -3.781 12.944 2.885 1.00 0.00 O ATOM 899 NE2 GLN B 2 -2.376 13.046 1.137 1.00 0.00 N ATOM 0 H GLN B 2 -7.400 15.591 0.052 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.521 16.948 1.835 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.781 14.392 1.462 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -4.977 14.659 -0.072 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -2.983 15.468 1.011 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.782 15.554 2.568 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -2.001 13.598 0.365 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -2.043 12.094 1.292 1.00 0.00 H new ATOM 908 N TYR B 3 -4.278 18.323 0.203 1.00 0.00 N ATOM 909 CA TYR B 3 -3.579 19.187 -0.742 1.00 0.00 C ATOM 910 C TYR B 3 -2.063 19.052 -0.638 1.00 0.00 C ATOM 911 O TYR B 3 -1.492 19.037 0.453 1.00 0.00 O ATOM 912 CB TYR B 3 -3.988 20.644 -0.534 1.00 0.00 C ATOM 913 CG TYR B 3 -5.306 21.000 -1.183 1.00 0.00 C ATOM 914 CD1 TYR B 3 -6.506 20.852 -0.499 1.00 0.00 C ATOM 915 CD2 TYR B 3 -5.348 21.481 -2.486 1.00 0.00 C ATOM 916 CE1 TYR B 3 -7.711 21.175 -1.097 1.00 0.00 C ATOM 917 CE2 TYR B 3 -6.547 21.807 -3.088 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.725 21.652 -2.390 1.00 0.00 C ATOM 919 OH TYR B 3 -8.922 21.974 -2.988 1.00 0.00 O ATOM 0 H TYR B 3 -4.182 18.599 1.180 1.00 0.00 H new ATOM 0 HA TYR B 3 -3.869 18.866 -1.743 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -4.053 20.846 0.535 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.208 21.292 -0.934 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -6.498 20.479 0.515 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -4.427 21.602 -3.037 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -8.636 21.054 -0.553 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -6.562 22.182 -4.101 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.922 22.924 -3.230 1.00 0.00 H new ATOM 929 N LYS B 4 -1.428 18.960 -1.802 1.00 0.00 N ATOM 930 CA LYS B 4 0.022 18.832 -1.887 1.00 0.00 C ATOM 931 C LYS B 4 0.652 20.136 -2.367 1.00 0.00 C ATOM 932 O LYS B 4 0.198 20.734 -3.342 1.00 0.00 O ATOM 933 CB LYS B 4 0.402 17.690 -2.833 1.00 0.00 C ATOM 934 CG LYS B 4 0.481 16.334 -2.149 1.00 0.00 C ATOM 935 CD LYS B 4 1.259 15.334 -2.987 1.00 0.00 C ATOM 936 CE LYS B 4 1.041 13.910 -2.501 1.00 0.00 C ATOM 937 NZ LYS B 4 1.535 12.906 -3.483 1.00 0.00 N ATOM 0 H LYS B 4 -1.900 18.972 -2.706 1.00 0.00 H new ATOM 0 HA LYS B 4 0.402 18.608 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.329 17.639 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.366 17.914 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.958 16.444 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -0.526 15.956 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.952 15.415 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.322 15.574 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.553 13.769 -1.549 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -0.021 13.747 -2.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 1.368 11.948 -3.114 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.029 13.023 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.554 13.044 -3.638 1.00 0.00 H new ATOM 951 N VAL B 5 1.701 20.572 -1.675 1.00 0.00 N ATOM 952 CA VAL B 5 2.394 21.805 -2.028 1.00 0.00 C ATOM 953 C VAL B 5 3.899 21.662 -1.827 1.00 0.00 C ATOM 954 O VAL B 5 4.355 21.269 -0.753 1.00 0.00 O ATOM 955 CB VAL B 5 1.888 22.994 -1.189 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.470 24.300 -1.706 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.368 23.041 -1.190 1.00 0.00 C ATOM 0 H VAL B 5 2.089 20.088 -0.865 1.00 0.00 H new ATOM 0 HA VAL B 5 2.184 21.997 -3.080 1.00 0.00 H new ATOM 0 HB VAL B 5 2.223 22.857 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL B 5 2.101 25.128 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.558 24.263 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.169 24.447 -2.743 1.00 0.00 H new ATOM 0 HG21 VAL B 5 0.030 23.887 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL B 5 0.008 23.152 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -0.025 22.117 -0.766 1.00 0.00 H new ATOM 967 N ILE B 6 4.666 21.983 -2.864 1.00 0.00 N ATOM 968 CA ILE B 6 6.120 21.889 -2.795 1.00 0.00 C ATOM 969 C ILE B 6 6.752 23.248 -2.507 1.00 0.00 C ATOM 970 O ILE B 6 6.521 24.214 -3.232 1.00 0.00 O ATOM 971 CB ILE B 6 6.710 21.336 -4.106 1.00 0.00 C ATOM 972 CG1 ILE B 6 5.932 20.100 -4.563 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.182 21.004 -3.926 1.00 0.00 C ATOM 974 CD1 ILE B 6 6.292 19.642 -5.960 1.00 0.00 C ATOM 0 H ILE B 6 4.306 22.310 -3.761 1.00 0.00 H new ATOM 0 HA ILE B 6 6.350 21.204 -1.979 1.00 0.00 H new ATOM 0 HB ILE B 6 6.621 22.102 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.117 19.285 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE B 6 4.865 20.318 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE B 6 8.584 20.614 -4.861 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.726 21.905 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.293 20.254 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE B 6 5.702 18.762 -6.218 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.081 20.441 -6.671 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.352 19.392 -5.999 1.00 0.00 H new ATOM 986 N LEU B 7 7.565 23.312 -1.456 1.00 0.00 N ATOM 987 CA LEU B 7 8.247 24.548 -1.086 1.00 0.00 C ATOM 988 C LEU B 7 9.713 24.258 -0.778 1.00 0.00 C ATOM 989 O LEU B 7 10.023 23.553 0.183 1.00 0.00 O ATOM 990 CB LEU B 7 7.570 25.196 0.127 1.00 0.00 C ATOM 991 CG LEU B 7 6.508 26.248 -0.207 1.00 0.00 C ATOM 992 CD1 LEU B 7 5.140 25.598 -0.345 1.00 0.00 C ATOM 993 CD2 LEU B 7 6.477 27.337 0.859 1.00 0.00 C ATOM 0 H LEU B 7 7.768 22.521 -0.845 1.00 0.00 H new ATOM 0 HA LEU B 7 8.188 25.243 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.107 24.412 0.727 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.337 25.660 0.747 1.00 0.00 H new ATOM 0 HG LEU B 7 6.769 26.709 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.397 26.360 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.168 24.857 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU B 7 4.873 25.110 0.592 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.716 28.075 0.604 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.241 26.893 1.826 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.451 27.823 0.911 1.00 0.00 H new ATOM 1208 N ASP B 22 9.792 28.789 1.351 1.00 0.00 N ATOM 1209 CA ASP B 22 10.512 28.179 2.465 1.00 0.00 C ATOM 1210 C ASP B 22 9.592 27.352 3.347 1.00 0.00 C ATOM 1211 O ASP B 22 8.428 27.690 3.555 1.00 0.00 O ATOM 1212 CB ASP B 22 11.192 29.261 3.305 1.00 0.00 C ATOM 1213 CG ASP B 22 12.524 29.691 2.722 1.00 0.00 C ATOM 1214 OD1 ASP B 22 12.628 29.780 1.480 1.00 0.00 O ATOM 1215 OD2 ASP B 22 13.463 29.939 3.507 1.00 0.00 O ATOM 0 HA ASP B 22 11.264 27.511 2.044 1.00 0.00 H new ATOM 0 HB2 ASP B 22 10.534 30.127 3.379 1.00 0.00 H new ATOM 0 HB3 ASP B 22 11.345 28.889 4.318 1.00 0.00 H new ATOM 1220 N ALA B 23 10.138 26.265 3.870 1.00 0.00 N ATOM 1221 CA ALA B 23 9.398 25.370 4.743 1.00 0.00 C ATOM 1222 C ALA B 23 8.693 26.144 5.855 1.00 0.00 C ATOM 1223 O ALA B 23 7.527 25.889 6.160 1.00 0.00 O ATOM 1224 CB ALA B 23 10.352 24.340 5.322 1.00 0.00 C ATOM 0 H ALA B 23 11.103 25.980 3.702 1.00 0.00 H new ATOM 0 HA ALA B 23 8.627 24.863 4.163 1.00 0.00 H new ATOM 0 HB1 ALA B 23 9.803 23.665 5.979 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.807 23.769 4.512 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.132 24.846 5.891 1.00 0.00 H new ATOM 1230 N ALA B 24 9.407 27.095 6.451 1.00 0.00 N ATOM 1231 CA ALA B 24 8.853 27.916 7.522 1.00 0.00 C ATOM 1232 C ALA B 24 7.744 28.830 7.006 1.00 0.00 C ATOM 1233 O ALA B 24 6.822 29.182 7.741 1.00 0.00 O ATOM 1234 CB ALA B 24 9.950 28.737 8.180 1.00 0.00 C ATOM 0 H ALA B 24 10.373 27.316 6.209 1.00 0.00 H new ATOM 0 HA ALA B 24 8.417 27.247 8.264 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.521 29.344 8.977 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.703 28.069 8.598 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.413 29.387 7.438 1.00 0.00 H new ATOM 1240 N THR B 25 7.845 29.213 5.736 1.00 0.00 N ATOM 1241 CA THR B 25 6.856 30.092 5.117 1.00 0.00 C ATOM 1242 C THR B 25 5.483 29.429 5.090 1.00 0.00 C ATOM 1243 O THR B 25 4.463 30.075 5.333 1.00 0.00 O ATOM 1244 CB THR B 25 7.292 30.449 3.693 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.508 31.175 3.708 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.275 31.273 2.934 1.00 0.00 C ATOM 0 H THR B 25 8.602 28.928 5.115 1.00 0.00 H new ATOM 0 HA THR B 25 6.786 31.003 5.711 1.00 0.00 H new ATOM 0 HB THR B 25 7.406 29.492 3.184 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.771 31.392 2.789 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.653 31.487 1.934 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.341 30.717 2.857 1.00 0.00 H new ATOM 0 HG23 THR B 25 6.098 32.209 3.463 1.00 0.00 H new ATOM 1254 N PHE B 26 5.470 28.135 4.806 1.00 0.00 N ATOM 1255 CA PHE B 26 4.228 27.375 4.759 1.00 0.00 C ATOM 1256 C PHE B 26 3.610 27.263 6.151 1.00 0.00 C ATOM 1257 O PHE B 26 2.402 27.416 6.324 1.00 0.00 O ATOM 1258 CB PHE B 26 4.475 25.981 4.183 1.00 0.00 C ATOM 1259 CG PHE B 26 3.230 25.326 3.654 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.716 25.690 2.420 1.00 0.00 C ATOM 1261 CD2 PHE B 26 2.576 24.352 4.389 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.571 25.093 1.928 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.430 23.752 3.902 1.00 0.00 C ATOM 1264 CZ PHE B 26 0.927 24.123 2.670 1.00 0.00 C ATOM 0 H PHE B 26 6.307 27.588 4.604 1.00 0.00 H new ATOM 0 HA PHE B 26 3.531 27.905 4.110 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.209 26.052 3.380 1.00 0.00 H new ATOM 0 HB3 PHE B 26 4.909 25.348 4.957 1.00 0.00 H new ATOM 0 HD1 PHE B 26 3.216 26.449 1.836 1.00 0.00 H new ATOM 0 HD2 PHE B 26 2.965 24.058 5.353 1.00 0.00 H new ATOM 0 HE1 PHE B 26 1.180 25.385 0.964 1.00 0.00 H new ATOM 0 HE2 PHE B 26 0.928 22.994 4.484 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.032 23.655 2.288 1.00 0.00 H new ATOM 1274 N GLU B 27 4.454 26.977 7.135 1.00 0.00 N ATOM 1275 CA GLU B 27 4.015 26.819 8.518 1.00 0.00 C ATOM 1276 C GLU B 27 3.317 28.069 9.053 1.00 0.00 C ATOM 1277 O GLU B 27 2.205 27.992 9.576 1.00 0.00 O ATOM 1278 CB GLU B 27 5.216 26.482 9.407 1.00 0.00 C ATOM 1279 CG GLU B 27 4.849 26.225 10.859 1.00 0.00 C ATOM 1280 CD GLU B 27 5.762 26.948 11.830 1.00 0.00 C ATOM 1281 OE1 GLU B 27 6.986 26.701 11.789 1.00 0.00 O ATOM 1282 OE2 GLU B 27 5.254 27.761 12.630 1.00 0.00 O ATOM 0 H GLU B 27 5.457 26.848 6.999 1.00 0.00 H new ATOM 0 HA GLU B 27 3.291 26.005 8.538 1.00 0.00 H new ATOM 0 HB2 GLU B 27 5.717 25.601 9.007 1.00 0.00 H new ATOM 0 HB3 GLU B 27 5.931 27.303 9.362 1.00 0.00 H new ATOM 0 HG2 GLU B 27 3.820 26.541 11.031 1.00 0.00 H new ATOM 0 HG3 GLU B 27 4.891 25.154 11.056 1.00 0.00 H new ATOM 1289 N LYS B 28 3.988 29.211 8.951 1.00 0.00 N ATOM 1290 CA LYS B 28 3.441 30.468 9.460 1.00 0.00 C ATOM 1291 C LYS B 28 2.229 30.950 8.665 1.00 0.00 C ATOM 1292 O LYS B 28 1.219 31.343 9.249 1.00 0.00 O ATOM 1293 CB LYS B 28 4.521 31.552 9.456 1.00 0.00 C ATOM 1294 CG LYS B 28 4.179 32.752 10.325 1.00 0.00 C ATOM 1295 CD LYS B 28 5.311 33.765 10.348 1.00 0.00 C ATOM 1296 CE LYS B 28 6.456 33.302 11.234 1.00 0.00 C ATOM 1297 NZ LYS B 28 7.301 34.439 11.691 1.00 0.00 N ATOM 0 H LYS B 28 4.910 29.295 8.522 1.00 0.00 H new ATOM 0 HA LYS B 28 3.106 30.276 10.479 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.460 31.119 9.801 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.683 31.889 8.432 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.272 33.227 9.950 1.00 0.00 H new ATOM 0 HG3 LYS B 28 3.968 32.418 11.341 1.00 0.00 H new ATOM 0 HD2 LYS B 28 5.677 33.926 9.334 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.936 34.723 10.708 1.00 0.00 H new ATOM 0 HE2 LYS B 28 6.055 32.777 12.101 1.00 0.00 H new ATOM 0 HE3 LYS B 28 7.073 32.589 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.070 34.080 12.292 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 7.705 34.925 10.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 6.719 35.107 12.235 1.00 0.00 H new ATOM 1311 N VAL B 29 2.326 30.933 7.340 1.00 0.00 N ATOM 1312 CA VAL B 29 1.227 31.385 6.491 1.00 0.00 C ATOM 1313 C VAL B 29 -0.021 30.521 6.651 1.00 0.00 C ATOM 1314 O VAL B 29 -1.137 31.035 6.712 1.00 0.00 O ATOM 1315 CB VAL B 29 1.633 31.395 5.005 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.484 31.894 4.136 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.877 32.247 4.799 1.00 0.00 C ATOM 0 H VAL B 29 3.150 30.613 6.831 1.00 0.00 H new ATOM 0 HA VAL B 29 0.995 32.399 6.816 1.00 0.00 H new ATOM 0 HB VAL B 29 1.865 30.373 4.704 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.792 31.893 3.090 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.378 31.239 4.261 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.216 32.907 4.434 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.150 32.243 3.744 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.675 33.270 5.118 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.699 31.839 5.388 1.00 0.00 H new ATOM 1327 N VAL B 30 0.171 29.209 6.696 1.00 0.00 N ATOM 1328 CA VAL B 30 -0.946 28.281 6.822 1.00 0.00 C ATOM 1329 C VAL B 30 -1.566 28.304 8.215 1.00 0.00 C ATOM 1330 O VAL B 30 -2.789 28.308 8.348 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.534 26.839 6.464 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.732 25.902 6.542 1.00 0.00 C ATOM 1333 CG2 VAL B 30 0.088 26.796 5.078 1.00 0.00 C ATOM 0 H VAL B 30 1.087 28.764 6.647 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.697 28.621 6.109 1.00 0.00 H new ATOM 0 HB VAL B 30 0.208 26.503 7.188 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.419 24.890 6.286 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.136 25.912 7.554 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.499 26.233 5.842 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.374 25.772 4.839 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.635 27.152 4.344 1.00 0.00 H new ATOM 0 HG23 VAL B 30 0.972 27.434 5.056 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.737 28.315 9.254 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.245 28.334 10.618 1.00 0.00 C ATOM 1345 C LYS B 31 -2.025 29.614 10.889 1.00 0.00 C ATOM 1346 O LYS B 31 -3.123 29.582 11.441 1.00 0.00 O ATOM 1347 CB LYS B 31 -0.083 28.212 11.610 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.523 28.117 13.061 1.00 0.00 C ATOM 1349 CD LYS B 31 0.506 27.380 13.906 1.00 0.00 C ATOM 1350 CE LYS B 31 0.361 25.872 13.771 1.00 0.00 C ATOM 1351 NZ LYS B 31 0.902 25.153 14.957 1.00 0.00 N ATOM 0 H LYS B 31 0.280 28.311 9.178 1.00 0.00 H new ATOM 0 HA LYS B 31 -1.919 27.487 10.745 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.505 27.329 11.360 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.573 29.075 11.495 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -0.676 29.119 13.463 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.481 27.601 13.119 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.509 27.679 13.602 1.00 0.00 H new ATOM 0 HD3 LYS B 31 0.391 27.665 14.952 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -0.691 25.619 13.642 1.00 0.00 H new ATOM 0 HE3 LYS B 31 0.882 25.536 12.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.668 24.517 14.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.272 25.843 15.642 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.144 24.597 15.401 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.452 30.741 10.488 1.00 0.00 N ATOM 1366 CA GLN B 32 -2.094 32.033 10.681 1.00 0.00 C ATOM 1367 C GLN B 32 -3.392 32.135 9.887 1.00 0.00 C ATOM 1368 O GLN B 32 -4.408 32.599 10.404 1.00 0.00 O ATOM 1369 CB GLN B 32 -1.144 33.162 10.277 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.678 34.549 10.598 1.00 0.00 C ATOM 1371 CD GLN B 32 -1.741 34.820 12.088 1.00 0.00 C ATOM 1372 OE1 GLN B 32 -0.978 34.248 12.868 1.00 0.00 O ATOM 1373 NE2 GLN B 32 -2.653 35.697 12.493 1.00 0.00 N ATOM 0 H GLN B 32 -0.543 30.786 10.027 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.337 32.128 11.739 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -0.190 33.022 10.785 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -0.948 33.096 9.207 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -1.043 35.297 10.123 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -2.675 34.658 10.170 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -3.265 36.148 11.812 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -2.741 35.920 13.484 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.359 31.696 8.630 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.531 31.731 7.762 1.00 0.00 C ATOM 1384 C PHE B 33 -5.631 30.768 8.211 1.00 0.00 C ATOM 1385 O PHE B 33 -6.800 31.147 8.282 1.00 0.00 O ATOM 1386 CB PHE B 33 -4.081 31.461 6.317 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.145 30.942 5.390 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.312 31.651 5.152 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -4.950 29.739 4.732 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.269 31.159 4.279 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.899 29.244 3.861 1.00 0.00 C ATOM 1392 CZ PHE B 33 -7.060 29.952 3.634 1.00 0.00 C ATOM 0 H PHE B 33 -2.525 31.309 8.189 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.981 32.722 7.823 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.682 32.386 5.901 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.262 30.742 6.339 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.477 32.595 5.651 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -4.042 29.180 4.903 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.177 31.716 4.102 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.732 28.303 3.358 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.805 29.566 2.954 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.265 29.525 8.504 1.00 0.00 N ATOM 1403 CA PHE B 34 -6.244 28.531 8.932 1.00 0.00 C ATOM 1404 C PHE B 34 -6.720 28.755 10.370 1.00 0.00 C ATOM 1405 O PHE B 34 -7.877 28.488 10.688 1.00 0.00 O ATOM 1406 CB PHE B 34 -5.701 27.118 8.724 1.00 0.00 C ATOM 1407 CG PHE B 34 -5.849 26.674 7.295 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -4.896 27.006 6.346 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -6.963 25.953 6.897 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -5.054 26.629 5.025 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -7.124 25.567 5.580 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.170 25.908 4.642 1.00 0.00 C ATOM 0 H PHE B 34 -4.305 29.183 8.454 1.00 0.00 H new ATOM 0 HA PHE B 34 -7.126 28.651 8.303 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -4.649 27.086 9.009 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.230 26.424 9.378 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -4.020 27.565 6.641 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -7.715 25.689 7.626 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -4.307 26.897 4.293 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.994 25.000 5.285 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.295 25.612 3.611 1.00 0.00 H new ATOM 1422 N ASN B 35 -5.846 29.265 11.233 1.00 0.00 N ATOM 1423 CA ASN B 35 -6.230 29.535 12.620 1.00 0.00 C ATOM 1424 C ASN B 35 -7.434 30.478 12.674 1.00 0.00 C ATOM 1425 O ASN B 35 -8.250 30.413 13.593 1.00 0.00 O ATOM 1426 CB ASN B 35 -5.060 30.126 13.416 1.00 0.00 C ATOM 1427 CG ASN B 35 -4.085 29.072 13.920 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -3.976 27.953 13.209 1.00 0.00 O flip ATOM 1429 ND2 ASN B 35 -3.435 29.263 14.948 1.00 0.00 N flip ATOM 0 H ASN B 35 -4.880 29.498 11.004 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.507 28.585 13.077 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.524 30.837 12.787 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.452 30.685 14.266 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.545 30.134 15.467 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -2.786 28.550 15.281 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.531 31.349 11.675 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.624 32.312 11.578 1.00 0.00 C ATOM 1438 C ASP B 36 -9.985 31.621 11.460 1.00 0.00 C ATOM 1439 O ASP B 36 -11.024 32.239 11.696 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.407 33.240 10.381 1.00 0.00 C ATOM 1441 CG ASP B 36 -7.274 34.220 10.608 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -7.138 34.716 11.746 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -6.522 34.491 9.649 1.00 0.00 O ATOM 0 H ASP B 36 -6.857 31.408 10.912 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.626 32.897 12.498 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.194 32.642 9.495 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.326 33.791 10.181 1.00 0.00 H new ATOM 1448 N ASN B 37 -9.975 30.343 11.085 1.00 0.00 N ATOM 1449 CA ASN B 37 -11.219 29.591 10.932 1.00 0.00 C ATOM 1450 C ASN B 37 -11.432 28.599 12.075 1.00 0.00 C ATOM 1451 O ASN B 37 -12.564 28.196 12.344 1.00 0.00 O ATOM 1452 CB ASN B 37 -11.253 28.865 9.585 1.00 0.00 C ATOM 1453 CG ASN B 37 -10.200 27.784 9.477 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -10.176 26.844 10.270 1.00 0.00 O ATOM 1455 ND2 ASN B 37 -9.325 27.911 8.487 1.00 0.00 N ATOM 0 H ASN B 37 -9.128 29.811 10.883 1.00 0.00 H new ATOM 0 HA ASN B 37 -12.036 30.312 10.965 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -12.238 28.422 9.440 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -11.108 29.589 8.783 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.594 27.211 8.360 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -9.384 28.708 7.853 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.356 28.215 12.757 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.489 27.286 13.870 1.00 0.00 C ATOM 1464 C GLY B 38 -9.505 26.128 13.829 1.00 0.00 C ATOM 1465 O GLY B 38 -9.669 25.152 14.562 1.00 0.00 O ATOM 0 H GLY B 38 -9.404 28.525 12.563 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.353 27.832 14.804 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.503 26.887 13.878 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.482 26.226 12.986 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.484 25.166 12.884 1.00 0.00 C ATOM 1471 C VAL B 39 -6.350 25.390 13.878 1.00 0.00 C ATOM 1472 O VAL B 39 -5.951 26.527 14.130 1.00 0.00 O ATOM 1473 CB VAL B 39 -6.893 25.073 11.464 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -5.983 23.859 11.343 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -8.005 25.020 10.428 1.00 0.00 C ATOM 0 H VAL B 39 -8.322 27.022 12.368 1.00 0.00 H new ATOM 0 HA VAL B 39 -7.994 24.231 13.114 1.00 0.00 H new ATOM 0 HB VAL B 39 -6.296 25.966 11.278 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.575 23.809 10.334 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -5.167 23.943 12.061 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.555 22.954 11.548 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.570 24.955 9.431 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.630 24.146 10.610 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.613 25.922 10.500 1.00 0.00 H new ATOM 1485 N ASP B 40 -5.833 24.303 14.443 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.745 24.395 15.410 1.00 0.00 C ATOM 1487 C ASP B 40 -3.975 23.079 15.500 1.00 0.00 C ATOM 1488 O ASP B 40 -4.285 22.113 14.804 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.293 24.771 16.789 1.00 0.00 C ATOM 1490 CG ASP B 40 -5.574 26.256 16.914 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -4.657 27.002 17.315 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -6.714 26.670 16.613 1.00 0.00 O ATOM 0 H ASP B 40 -6.148 23.353 14.249 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.059 25.171 15.071 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.210 24.213 16.977 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.577 24.474 17.555 1.00 0.00 H new ATOM 1497 N GLY B 41 -2.969 23.057 16.367 1.00 0.00 N ATOM 1498 CA GLY B 41 -2.160 21.864 16.544 1.00 0.00 C ATOM 1499 C GLY B 41 -0.703 22.098 16.200 1.00 0.00 C ATOM 1500 O GLY B 41 -0.169 23.181 16.444 1.00 0.00 O ATOM 0 H GLY B 41 -2.698 23.847 16.953 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -2.237 21.526 17.578 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.555 21.064 15.917 1.00 0.00 H new ATOM 1504 N GLU B 42 -0.053 21.083 15.636 1.00 0.00 N ATOM 1505 CA GLU B 42 1.354 21.191 15.268 1.00 0.00 C ATOM 1506 C GLU B 42 1.662 20.351 14.034 1.00 0.00 C ATOM 1507 O GLU B 42 0.975 19.370 13.749 1.00 0.00 O ATOM 1508 CB GLU B 42 2.243 20.750 16.432 1.00 0.00 C ATOM 1509 CG GLU B 42 2.104 21.621 17.669 1.00 0.00 C ATOM 1510 CD GLU B 42 3.290 21.498 18.605 1.00 0.00 C ATOM 1511 OE1 GLU B 42 4.426 21.773 18.163 1.00 0.00 O ATOM 1512 OE2 GLU B 42 3.083 21.127 19.780 1.00 0.00 O ATOM 0 H GLU B 42 -0.477 20.180 15.425 1.00 0.00 H new ATOM 0 HA GLU B 42 1.562 22.235 15.035 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.000 19.720 16.694 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.283 20.759 16.107 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.992 22.662 17.365 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.195 21.345 18.203 1.00 0.00 H new ATOM 1519 N TRP B 43 2.702 20.742 13.307 1.00 0.00 N ATOM 1520 CA TRP B 43 3.108 20.027 12.103 1.00 0.00 C ATOM 1521 C TRP B 43 3.784 18.711 12.449 1.00 0.00 C ATOM 1522 O TRP B 43 4.825 18.684 13.103 1.00 0.00 O ATOM 1523 CB TRP B 43 4.039 20.895 11.259 1.00 0.00 C ATOM 1524 CG TRP B 43 3.370 22.127 10.732 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.268 23.336 11.358 1.00 0.00 C ATOM 1526 CD2 TRP B 43 2.702 22.267 9.473 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.579 24.220 10.565 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.221 23.588 9.403 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.465 21.405 8.399 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.517 24.067 8.300 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 1.766 21.881 7.305 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.299 23.201 7.263 1.00 0.00 C ATOM 0 H TRP B 43 3.280 21.552 13.531 1.00 0.00 H new ATOM 0 HA TRP B 43 2.211 19.804 11.524 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.901 21.185 11.860 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.417 20.307 10.423 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.670 23.564 12.334 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.368 25.189 10.802 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.821 20.386 8.423 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.157 25.084 8.265 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.577 21.224 6.469 1.00 0.00 H new ATOM 0 HH2 TRP B 43 0.756 23.542 6.394 1.00 0.00 H new ATOM 1543 N THR B 44 3.180 17.621 11.996 1.00 0.00 N ATOM 1544 CA THR B 44 3.716 16.296 12.246 1.00 0.00 C ATOM 1545 C THR B 44 4.246 15.686 10.956 1.00 0.00 C ATOM 1546 O THR B 44 3.655 15.841 9.889 1.00 0.00 O ATOM 1547 CB THR B 44 2.641 15.391 12.850 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.564 15.218 11.947 1.00 0.00 O ATOM 1549 CG2 THR B 44 2.071 15.923 14.147 1.00 0.00 C ATOM 0 H THR B 44 2.317 17.632 11.453 1.00 0.00 H new ATOM 0 HA THR B 44 4.538 16.386 12.956 1.00 0.00 H new ATOM 0 HB THR B 44 3.142 14.444 13.052 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.713 15.769 11.151 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.314 15.234 14.522 1.00 0.00 H new ATOM 0 HG22 THR B 44 2.869 16.020 14.883 1.00 0.00 H new ATOM 0 HG23 THR B 44 1.618 16.899 13.972 1.00 0.00 H new ATOM 1557 N TYR B 45 5.360 14.981 11.070 1.00 0.00 N ATOM 1558 CA TYR B 45 5.973 14.330 9.919 1.00 0.00 C ATOM 1559 C TYR B 45 5.119 13.155 9.456 1.00 0.00 C ATOM 1560 O TYR B 45 4.555 12.427 10.271 1.00 0.00 O ATOM 1561 CB TYR B 45 7.389 13.859 10.257 1.00 0.00 C ATOM 1562 CG TYR B 45 8.425 14.960 10.189 1.00 0.00 C ATOM 1563 CD1 TYR B 45 8.998 15.323 8.976 1.00 0.00 C ATOM 1564 CD2 TYR B 45 8.830 15.635 11.333 1.00 0.00 C ATOM 1565 CE1 TYR B 45 9.944 16.328 8.906 1.00 0.00 C ATOM 1566 CE2 TYR B 45 9.775 16.641 11.271 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.329 16.984 10.056 1.00 0.00 C ATOM 1568 OH TYR B 45 11.270 17.985 9.990 1.00 0.00 O ATOM 0 H TYR B 45 5.860 14.844 11.948 1.00 0.00 H new ATOM 0 HA TYR B 45 6.036 15.055 9.108 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.391 13.431 11.259 1.00 0.00 H new ATOM 0 HB3 TYR B 45 7.672 13.062 9.569 1.00 0.00 H new ATOM 0 HD1 TYR B 45 8.699 14.811 8.073 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.399 15.369 12.287 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.380 16.598 7.955 1.00 0.00 H new ATOM 0 HE2 TYR B 45 10.078 17.156 12.170 1.00 0.00 H new ATOM 0 HH TYR B 45 11.428 18.345 10.888 1.00 0.00 H new ATOM 1578 N ASP B 46 5.020 12.983 8.142 1.00 0.00 N ATOM 1579 CA ASP B 46 4.223 11.902 7.574 1.00 0.00 C ATOM 1580 C ASP B 46 4.890 10.550 7.812 1.00 0.00 C ATOM 1581 O ASP B 46 6.087 10.476 8.092 1.00 0.00 O ATOM 1582 CB ASP B 46 4.025 12.120 6.073 1.00 0.00 C ATOM 1583 CG ASP B 46 3.411 13.469 5.758 1.00 0.00 C ATOM 1584 OD1 ASP B 46 3.809 14.466 6.396 1.00 0.00 O ATOM 1585 OD2 ASP B 46 2.531 13.528 4.874 1.00 0.00 O ATOM 0 H ASP B 46 5.480 13.577 7.452 1.00 0.00 H new ATOM 0 HA ASP B 46 3.252 11.904 8.069 1.00 0.00 H new ATOM 0 HB2 ASP B 46 4.987 12.035 5.567 1.00 0.00 H new ATOM 0 HB3 ASP B 46 3.385 11.332 5.676 1.00 0.00 H new ATOM 1590 N ASP B 47 4.106 9.482 7.702 1.00 0.00 N ATOM 1591 CA ASP B 47 4.620 8.133 7.908 1.00 0.00 C ATOM 1592 C ASP B 47 5.635 7.771 6.829 1.00 0.00 C ATOM 1593 O ASP B 47 5.361 7.898 5.636 1.00 0.00 O ATOM 1594 CB ASP B 47 3.472 7.122 7.905 1.00 0.00 C ATOM 1595 CG ASP B 47 2.548 7.290 9.096 1.00 0.00 C ATOM 1596 OD1 ASP B 47 2.981 6.998 10.230 1.00 0.00 O ATOM 1597 OD2 ASP B 47 1.391 7.716 8.894 1.00 0.00 O ATOM 0 H ASP B 47 3.113 9.525 7.472 1.00 0.00 H new ATOM 0 HA ASP B 47 5.118 8.102 8.877 1.00 0.00 H new ATOM 0 HB2 ASP B 47 2.898 7.232 6.985 1.00 0.00 H new ATOM 0 HB3 ASP B 47 3.882 6.112 7.906 1.00 0.00 H new ATOM 1602 N ALA B 48 6.814 7.330 7.259 1.00 0.00 N ATOM 1603 CA ALA B 48 7.879 6.961 6.334 1.00 0.00 C ATOM 1604 C ALA B 48 7.412 5.914 5.325 1.00 0.00 C ATOM 1605 O ALA B 48 6.631 5.020 5.654 1.00 0.00 O ATOM 1606 CB ALA B 48 9.088 6.449 7.102 1.00 0.00 C ATOM 0 H ALA B 48 7.055 7.220 8.244 1.00 0.00 H new ATOM 0 HA ALA B 48 8.160 7.855 5.778 1.00 0.00 H new ATOM 0 HB1 ALA B 48 9.876 6.177 6.400 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.451 7.229 7.771 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.804 5.574 7.686 1.00 0.00 H new ATOM 1612 N THR B 49 7.905 6.035 4.096 1.00 0.00 N ATOM 1613 CA THR B 49 7.556 5.106 3.025 1.00 0.00 C ATOM 1614 C THR B 49 8.781 4.802 2.169 1.00 0.00 C ATOM 1615 O THR B 49 9.727 5.588 2.127 1.00 0.00 O ATOM 1616 CB THR B 49 6.439 5.687 2.155 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.419 6.249 2.960 1.00 0.00 O ATOM 1618 CG2 THR B 49 5.796 4.662 1.246 1.00 0.00 C ATOM 0 H THR B 49 8.552 6.772 3.816 1.00 0.00 H new ATOM 0 HA THR B 49 7.201 4.179 3.475 1.00 0.00 H new ATOM 0 HB THR B 49 6.917 6.447 1.537 1.00 0.00 H new ATOM 0 HG1 THR B 49 4.715 6.616 2.386 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.013 5.139 0.657 1.00 0.00 H new ATOM 0 HG22 THR B 49 6.549 4.245 0.578 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.362 3.863 1.848 1.00 0.00 H new ATOM 1626 N LYS B 50 8.767 3.658 1.494 1.00 0.00 N ATOM 1627 CA LYS B 50 9.892 3.265 0.651 1.00 0.00 C ATOM 1628 C LYS B 50 9.454 3.047 -0.794 1.00 0.00 C ATOM 1629 O LYS B 50 8.560 2.249 -1.073 1.00 0.00 O ATOM 1630 CB LYS B 50 10.540 1.990 1.195 1.00 0.00 C ATOM 1631 CG LYS B 50 11.627 2.255 2.223 1.00 0.00 C ATOM 1632 CD LYS B 50 12.185 0.960 2.791 1.00 0.00 C ATOM 1633 CE LYS B 50 11.564 0.629 4.138 1.00 0.00 C ATOM 1634 NZ LYS B 50 12.497 -0.144 5.005 1.00 0.00 N ATOM 0 H LYS B 50 7.996 2.991 1.513 1.00 0.00 H new ATOM 0 HA LYS B 50 10.620 4.076 0.667 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.770 1.364 1.645 1.00 0.00 H new ATOM 0 HB3 LYS B 50 10.965 1.425 0.365 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.432 2.828 1.763 1.00 0.00 H new ATOM 0 HG3 LYS B 50 11.223 2.864 3.032 1.00 0.00 H new ATOM 0 HD2 LYS B 50 11.997 0.145 2.093 1.00 0.00 H new ATOM 0 HD3 LYS B 50 13.266 1.045 2.899 1.00 0.00 H new ATOM 0 HE2 LYS B 50 11.280 1.552 4.643 1.00 0.00 H new ATOM 0 HE3 LYS B 50 10.650 0.055 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 12.036 -0.350 5.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 12.749 -1.037 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 13.358 0.414 5.172 1.00 0.00 H new ATOM 1648 N THR B 51 10.100 3.764 -1.709 1.00 0.00 N ATOM 1649 CA THR B 51 9.796 3.657 -3.130 1.00 0.00 C ATOM 1650 C THR B 51 10.912 2.909 -3.859 1.00 0.00 C ATOM 1651 O THR B 51 12.090 3.222 -3.693 1.00 0.00 O ATOM 1652 CB THR B 51 9.602 5.055 -3.731 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.461 5.681 -3.173 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.430 5.050 -5.235 1.00 0.00 C ATOM 0 H THR B 51 10.841 4.429 -1.488 1.00 0.00 H new ATOM 0 HA THR B 51 8.871 3.093 -3.251 1.00 0.00 H new ATOM 0 HB THR B 51 10.516 5.599 -3.492 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.352 6.572 -3.565 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.298 6.072 -5.590 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.315 4.616 -5.701 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.553 4.458 -5.499 1.00 0.00 H new ATOM 1662 N PHE B 52 10.533 1.921 -4.667 1.00 0.00 N ATOM 1663 CA PHE B 52 11.505 1.132 -5.420 1.00 0.00 C ATOM 1664 C PHE B 52 11.958 1.863 -6.680 1.00 0.00 C ATOM 1665 O PHE B 52 11.150 2.161 -7.560 1.00 0.00 O ATOM 1666 CB PHE B 52 10.915 -0.229 -5.796 1.00 0.00 C ATOM 1667 CG PHE B 52 11.916 -1.173 -6.400 1.00 0.00 C ATOM 1668 CD1 PHE B 52 12.733 -1.948 -5.592 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.036 -1.288 -7.775 1.00 0.00 C ATOM 1670 CE1 PHE B 52 13.654 -2.818 -6.146 1.00 0.00 C ATOM 1671 CE2 PHE B 52 12.955 -2.156 -8.335 1.00 0.00 C ATOM 1672 CZ PHE B 52 13.765 -2.922 -7.519 1.00 0.00 C ATOM 0 H PHE B 52 9.562 1.648 -4.817 1.00 0.00 H new ATOM 0 HA PHE B 52 12.374 0.982 -4.779 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.487 -0.688 -4.905 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.098 -0.079 -6.502 1.00 0.00 H new ATOM 0 HD1 PHE B 52 12.649 -1.872 -4.518 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.404 -0.693 -8.417 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.286 -3.416 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.040 -2.235 -9.409 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.484 -3.601 -7.954 1.00 0.00 H new ATOM 1682 N THR B 53 13.254 2.137 -6.767 1.00 0.00 N ATOM 1683 CA THR B 53 13.812 2.820 -7.930 1.00 0.00 C ATOM 1684 C THR B 53 14.341 1.805 -8.938 1.00 0.00 C ATOM 1685 O THR B 53 15.175 0.963 -8.605 1.00 0.00 O ATOM 1686 CB THR B 53 14.934 3.769 -7.503 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.452 4.732 -6.582 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.559 4.516 -8.662 1.00 0.00 C ATOM 0 H THR B 53 13.938 1.898 -6.049 1.00 0.00 H new ATOM 0 HA THR B 53 13.020 3.403 -8.401 1.00 0.00 H new ATOM 0 HB THR B 53 15.694 3.133 -7.049 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.088 4.277 -5.794 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.347 5.171 -8.290 1.00 0.00 H new ATOM 0 HG22 THR B 53 15.984 3.802 -9.368 1.00 0.00 H new ATOM 0 HG23 THR B 53 14.797 5.113 -9.163 1.00 0.00 H new ATOM 1696 N VAL B 54 13.849 1.883 -10.170 1.00 0.00 N ATOM 1697 CA VAL B 54 14.276 0.962 -11.217 1.00 0.00 C ATOM 1698 C VAL B 54 15.708 1.247 -11.651 1.00 0.00 C ATOM 1699 O VAL B 54 16.208 2.360 -11.491 1.00 0.00 O ATOM 1700 CB VAL B 54 13.360 1.034 -12.454 1.00 0.00 C ATOM 1701 CG1 VAL B 54 13.611 -0.152 -13.372 1.00 0.00 C ATOM 1702 CG2 VAL B 54 11.897 1.096 -12.040 1.00 0.00 C ATOM 0 H VAL B 54 13.157 2.571 -10.467 1.00 0.00 H new ATOM 0 HA VAL B 54 14.215 -0.039 -10.789 1.00 0.00 H new ATOM 0 HB VAL B 54 13.595 1.947 -13.001 1.00 0.00 H new ATOM 0 HG11 VAL B 54 12.956 -0.085 -14.240 1.00 0.00 H new ATOM 0 HG12 VAL B 54 14.650 -0.144 -13.700 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.407 -1.078 -12.834 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.269 1.146 -12.929 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.643 0.205 -11.466 1.00 0.00 H new ATOM 0 HG23 VAL B 54 11.730 1.982 -11.427 1.00 0.00 H new ATOM 1712 N THR B 55 16.361 0.231 -12.200 1.00 0.00 N ATOM 1713 CA THR B 55 17.738 0.364 -12.660 1.00 0.00 C ATOM 1714 C THR B 55 18.008 -0.562 -13.838 1.00 0.00 C ATOM 1715 O THR B 55 18.226 -0.110 -14.963 1.00 0.00 O ATOM 1716 CB THR B 55 18.708 0.054 -11.520 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.427 0.862 -10.390 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.158 0.271 -11.891 1.00 0.00 C ATOM 0 H THR B 55 15.959 -0.696 -12.338 1.00 0.00 H new ATOM 0 HA THR B 55 17.889 1.392 -12.988 1.00 0.00 H new ATOM 0 HB THR B 55 18.563 -1.003 -11.296 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.214 0.893 -9.806 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.792 0.033 -11.037 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.420 -0.375 -12.729 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.309 1.312 -12.175 1.00 0.00 H new ATOM 1726 N GLU B 56 17.993 -1.861 -13.569 1.00 0.00 N ATOM 1727 CA GLU B 56 18.234 -2.862 -14.601 1.00 0.00 C ATOM 1728 C GLU B 56 19.616 -2.680 -15.223 1.00 0.00 C ATOM 1729 O GLU B 56 20.565 -3.343 -14.756 1.00 0.00 O ATOM 1730 CB GLU B 56 17.159 -2.777 -15.686 1.00 0.00 C ATOM 1731 CG GLU B 56 15.827 -3.377 -15.268 1.00 0.00 C ATOM 1732 CD GLU B 56 14.692 -2.976 -16.192 1.00 0.00 C ATOM 1733 OE1 GLU B 56 14.583 -3.565 -17.287 1.00 0.00 O ATOM 1734 OE2 GLU B 56 13.914 -2.074 -15.819 1.00 0.00 O ATOM 1735 OXT GLU B 56 19.736 -1.876 -16.171 1.00 0.00 O ATOM 0 H GLU B 56 17.816 -2.247 -12.642 1.00 0.00 H new ATOM 0 HA GLU B 56 18.191 -3.846 -14.134 1.00 0.00 H new ATOM 0 HB2 GLU B 56 17.009 -1.732 -15.956 1.00 0.00 H new ATOM 0 HB3 GLU B 56 17.515 -3.289 -16.580 1.00 0.00 H new ATOM 0 HG2 GLU B 56 15.911 -4.464 -15.252 1.00 0.00 H new ATOM 0 HG3 GLU B 56 15.593 -3.060 -14.252 1.00 0.00 H new ATOM 1743 N MET C 1 5.144 -0.441 8.214 1.00 0.00 N ATOM 1744 CA MET C 1 5.949 0.154 7.115 1.00 0.00 C ATOM 1745 C MET C 1 5.147 0.221 5.820 1.00 0.00 C ATOM 1746 O MET C 1 4.633 -0.791 5.345 1.00 0.00 O ATOM 1747 CB MET C 1 7.206 -0.695 6.918 1.00 0.00 C ATOM 1748 CG MET C 1 8.190 -0.106 5.920 1.00 0.00 C ATOM 1749 SD MET C 1 9.062 1.333 6.570 1.00 0.00 S ATOM 1750 CE MET C 1 8.020 2.659 5.970 1.00 0.00 C ATOM 0 H1 MET C 1 5.392 0.018 9.114 1.00 0.00 H new ATOM 0 H2 MET C 1 4.132 -0.299 8.020 1.00 0.00 H new ATOM 0 H3 MET C 1 5.344 -1.460 8.279 1.00 0.00 H new ATOM 0 HA MET C 1 6.224 1.174 7.382 1.00 0.00 H new ATOM 0 HB2 MET C 1 7.706 -0.817 7.879 1.00 0.00 H new ATOM 0 HB3 MET C 1 6.913 -1.690 6.582 1.00 0.00 H new ATOM 0 HG2 MET C 1 8.916 -0.869 5.638 1.00 0.00 H new ATOM 0 HG3 MET C 1 7.656 0.177 5.013 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.637 3.521 5.717 1.00 0.00 H new ATOM 0 HE2 MET C 1 7.482 2.326 5.083 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.305 2.939 6.744 1.00 0.00 H new ATOM 1762 N GLN C 2 5.050 1.417 5.250 1.00 0.00 N ATOM 1763 CA GLN C 2 4.314 1.613 4.006 1.00 0.00 C ATOM 1764 C GLN C 2 5.232 1.409 2.807 1.00 0.00 C ATOM 1765 O GLN C 2 6.263 2.072 2.684 1.00 0.00 O ATOM 1766 CB GLN C 2 3.702 3.015 3.965 1.00 0.00 C ATOM 1767 CG GLN C 2 2.579 3.161 2.951 1.00 0.00 C ATOM 1768 CD GLN C 2 1.806 4.454 3.121 1.00 0.00 C ATOM 1769 OE1 GLN C 2 0.978 4.583 4.023 1.00 0.00 O ATOM 1770 NE2 GLN C 2 2.073 5.421 2.250 1.00 0.00 N ATOM 0 H GLN C 2 5.471 2.265 5.629 1.00 0.00 H new ATOM 0 HA GLN C 2 3.511 0.877 3.961 1.00 0.00 H new ATOM 0 HB2 GLN C 2 3.321 3.265 4.955 1.00 0.00 H new ATOM 0 HB3 GLN C 2 4.485 3.737 3.734 1.00 0.00 H new ATOM 0 HG2 GLN C 2 2.995 3.120 1.945 1.00 0.00 H new ATOM 0 HG3 GLN C 2 1.895 2.318 3.047 1.00 0.00 H new ATOM 0 HE21 GLN C 2 2.767 5.271 1.518 1.00 0.00 H new ATOM 0 HE22 GLN C 2 1.584 6.314 2.313 1.00 0.00 H new ATOM 1779 N TYR C 3 4.863 0.479 1.932 1.00 0.00 N ATOM 1780 CA TYR C 3 5.669 0.183 0.753 1.00 0.00 C ATOM 1781 C TYR C 3 4.996 0.632 -0.540 1.00 0.00 C ATOM 1782 O TYR C 3 3.804 0.412 -0.752 1.00 0.00 O ATOM 1783 CB TYR C 3 5.982 -1.312 0.684 1.00 0.00 C ATOM 1784 CG TYR C 3 7.130 -1.730 1.575 1.00 0.00 C ATOM 1785 CD1 TYR C 3 6.914 -2.118 2.891 1.00 0.00 C ATOM 1786 CD2 TYR C 3 8.434 -1.734 1.096 1.00 0.00 C ATOM 1787 CE1 TYR C 3 7.965 -2.498 3.704 1.00 0.00 C ATOM 1788 CE2 TYR C 3 9.490 -2.114 1.902 1.00 0.00 C ATOM 1789 CZ TYR C 3 9.250 -2.494 3.205 1.00 0.00 C ATOM 1790 OH TYR C 3 10.299 -2.871 4.011 1.00 0.00 O ATOM 0 H TYR C 3 4.014 -0.081 2.016 1.00 0.00 H new ATOM 0 HA TYR C 3 6.596 0.747 0.852 1.00 0.00 H new ATOM 0 HB2 TYR C 3 5.092 -1.875 0.964 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.217 -1.579 -0.346 1.00 0.00 H new ATOM 0 HD1 TYR C 3 5.909 -2.123 3.285 1.00 0.00 H new ATOM 0 HD2 TYR C 3 8.626 -1.435 0.076 1.00 0.00 H new ATOM 0 HE1 TYR C 3 7.780 -2.797 4.725 1.00 0.00 H new ATOM 0 HE2 TYR C 3 10.498 -2.113 1.513 1.00 0.00 H new ATOM 0 HH TYR C 3 10.745 -3.653 3.623 1.00 0.00 H new ATOM 1800 N LYS C 4 5.793 1.261 -1.395 1.00 0.00 N ATOM 1801 CA LYS C 4 5.317 1.754 -2.682 1.00 0.00 C ATOM 1802 C LYS C 4 5.835 0.882 -3.821 1.00 0.00 C ATOM 1803 O LYS C 4 7.022 0.559 -3.878 1.00 0.00 O ATOM 1804 CB LYS C 4 5.758 3.203 -2.895 1.00 0.00 C ATOM 1805 CG LYS C 4 4.792 4.226 -2.319 1.00 0.00 C ATOM 1806 CD LYS C 4 5.022 5.606 -2.911 1.00 0.00 C ATOM 1807 CE LYS C 4 4.325 6.685 -2.100 1.00 0.00 C ATOM 1808 NZ LYS C 4 4.787 8.049 -2.477 1.00 0.00 N ATOM 0 H LYS C 4 6.781 1.443 -1.218 1.00 0.00 H new ATOM 0 HA LYS C 4 4.228 1.711 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS C 4 6.738 3.346 -2.441 1.00 0.00 H new ATOM 0 HB3 LYS C 4 5.872 3.386 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS C 4 3.767 3.911 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS C 4 4.910 4.269 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS C 4 6.092 5.813 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS C 4 4.656 5.628 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS C 4 3.248 6.612 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS C 4 4.511 6.519 -1.039 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 4.288 8.756 -1.901 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 5.811 8.127 -2.311 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 4.586 8.218 -3.483 1.00 0.00 H new ATOM 1822 N VAL C 5 4.937 0.502 -4.726 1.00 0.00 N ATOM 1823 CA VAL C 5 5.303 -0.334 -5.864 1.00 0.00 C ATOM 1824 C VAL C 5 4.545 0.088 -7.117 1.00 0.00 C ATOM 1825 O VAL C 5 3.318 0.192 -7.106 1.00 0.00 O ATOM 1826 CB VAL C 5 5.018 -1.822 -5.585 1.00 0.00 C ATOM 1827 CG1 VAL C 5 5.590 -2.694 -6.692 1.00 0.00 C ATOM 1828 CG2 VAL C 5 5.582 -2.228 -4.231 1.00 0.00 C ATOM 0 H VAL C 5 3.951 0.760 -4.693 1.00 0.00 H new ATOM 0 HA VAL C 5 6.373 -0.201 -6.023 1.00 0.00 H new ATOM 0 HB VAL C 5 3.938 -1.968 -5.563 1.00 0.00 H new ATOM 0 HG11 VAL C 5 5.378 -3.741 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.134 -2.420 -7.643 1.00 0.00 H new ATOM 0 HG13 VAL C 5 6.668 -2.547 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL C 5 5.371 -3.282 -4.050 1.00 0.00 H new ATOM 0 HG22 VAL C 5 6.660 -2.067 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.119 -1.626 -3.449 1.00 0.00 H new ATOM 1838 N ILE C 6 5.280 0.331 -8.199 1.00 0.00 N ATOM 1839 CA ILE C 6 4.672 0.740 -9.460 1.00 0.00 C ATOM 1840 C ILE C 6 4.513 -0.442 -10.411 1.00 0.00 C ATOM 1841 O ILE C 6 5.482 -1.131 -10.725 1.00 0.00 O ATOM 1842 CB ILE C 6 5.510 1.828 -10.158 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.902 2.922 -9.165 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.739 2.421 -11.328 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.921 3.900 -9.712 1.00 0.00 C ATOM 0 H ILE C 6 6.297 0.252 -8.227 1.00 0.00 H new ATOM 0 HA ILE C 6 3.688 1.141 -9.217 1.00 0.00 H new ATOM 0 HB ILE C 6 6.422 1.370 -10.541 1.00 0.00 H new ATOM 0 HG12 ILE C 6 5.007 3.470 -8.869 1.00 0.00 H new ATOM 0 HG13 ILE C 6 6.304 2.457 -8.265 1.00 0.00 H new ATOM 0 HG21 ILE C 6 5.344 3.188 -11.811 1.00 0.00 H new ATOM 0 HG22 ILE C 6 4.508 1.635 -12.047 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.812 2.865 -10.965 1.00 0.00 H new ATOM 0 HD11 ILE C 6 7.152 4.648 -8.953 1.00 0.00 H new ATOM 0 HD12 ILE C 6 7.831 3.364 -9.982 1.00 0.00 H new ATOM 0 HD13 ILE C 6 6.515 4.393 -10.595 1.00 0.00 H new ATOM 1857 N LEU C 7 3.289 -0.663 -10.882 1.00 0.00 N ATOM 1858 CA LEU C 7 3.008 -1.748 -11.814 1.00 0.00 C ATOM 1859 C LEU C 7 2.131 -1.236 -12.954 1.00 0.00 C ATOM 1860 O LEU C 7 0.987 -0.840 -12.735 1.00 0.00 O ATOM 1861 CB LEU C 7 2.315 -2.912 -11.096 1.00 0.00 C ATOM 1862 CG LEU C 7 3.251 -4.010 -10.585 1.00 0.00 C ATOM 1863 CD1 LEU C 7 3.714 -3.699 -9.170 1.00 0.00 C ATOM 1864 CD2 LEU C 7 2.564 -5.369 -10.637 1.00 0.00 C ATOM 0 H LEU C 7 2.474 -0.103 -10.632 1.00 0.00 H new ATOM 0 HA LEU C 7 3.951 -2.111 -12.222 1.00 0.00 H new ATOM 0 HB2 LEU C 7 1.752 -2.514 -10.252 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.592 -3.360 -11.778 1.00 0.00 H new ATOM 0 HG LEU C 7 4.126 -4.045 -11.234 1.00 0.00 H new ATOM 0 HD11 LEU C 7 4.379 -4.490 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU C 7 4.247 -2.748 -9.162 1.00 0.00 H new ATOM 0 HD13 LEU C 7 2.849 -3.636 -8.510 1.00 0.00 H new ATOM 0 HD21 LEU C 7 3.246 -6.136 -10.270 1.00 0.00 H new ATOM 0 HD22 LEU C 7 1.670 -5.349 -10.013 1.00 0.00 H new ATOM 0 HD23 LEU C 7 2.283 -5.596 -11.666 1.00 0.00 H new ATOM 2079 N ASP C 22 1.268 -6.092 -13.946 1.00 0.00 N ATOM 2080 CA ASP C 22 -0.134 -5.727 -14.115 1.00 0.00 C ATOM 2081 C ASP C 22 -0.804 -5.485 -12.773 1.00 0.00 C ATOM 2082 O ASP C 22 -0.497 -6.139 -11.779 1.00 0.00 O ATOM 2083 CB ASP C 22 -0.878 -6.826 -14.874 1.00 0.00 C ATOM 2084 CG ASP C 22 -0.718 -6.700 -16.377 1.00 0.00 C ATOM 2085 OD1 ASP C 22 0.392 -6.346 -16.827 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -1.702 -6.956 -17.101 1.00 0.00 O ATOM 0 HA ASP C 22 -0.172 -4.801 -14.690 1.00 0.00 H new ATOM 0 HB2 ASP C 22 -0.509 -7.800 -14.552 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -1.937 -6.787 -14.619 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.729 -4.540 -12.762 1.00 0.00 N ATOM 2092 CA ALA C 23 -2.466 -4.195 -11.557 1.00 0.00 C ATOM 2093 C ALA C 23 -3.026 -5.445 -10.880 1.00 0.00 C ATOM 2094 O ALA C 23 -2.945 -5.593 -9.660 1.00 0.00 O ATOM 2095 CB ALA C 23 -3.577 -3.226 -11.914 1.00 0.00 C ATOM 0 H ALA C 23 -1.990 -3.993 -13.583 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.789 -3.719 -10.847 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -4.134 -2.963 -11.014 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -3.147 -2.325 -12.351 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -4.250 -3.693 -12.634 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.587 -6.344 -11.684 1.00 0.00 N ATOM 2102 CA ALA C 24 -4.155 -7.587 -11.171 1.00 0.00 C ATOM 2103 C ALA C 24 -3.069 -8.507 -10.620 1.00 0.00 C ATOM 2104 O ALA C 24 -3.313 -9.298 -9.709 1.00 0.00 O ATOM 2105 CB ALA C 24 -4.945 -8.295 -12.260 1.00 0.00 C ATOM 0 H ALA C 24 -3.660 -6.234 -12.695 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.829 -7.335 -10.352 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.363 -9.220 -11.863 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.754 -7.649 -12.601 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.286 -8.524 -13.097 1.00 0.00 H new ATOM 2111 N THR C 25 -1.869 -8.402 -11.185 1.00 0.00 N ATOM 2112 CA THR C 25 -0.743 -9.228 -10.759 1.00 0.00 C ATOM 2113 C THR C 25 -0.382 -8.945 -9.305 1.00 0.00 C ATOM 2114 O THR C 25 -0.078 -9.858 -8.538 1.00 0.00 O ATOM 2115 CB THR C 25 0.470 -8.964 -11.659 1.00 0.00 C ATOM 2116 OG1 THR C 25 0.192 -9.342 -12.995 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.719 -9.700 -11.225 1.00 0.00 C ATOM 0 H THR C 25 -1.651 -7.752 -11.940 1.00 0.00 H new ATOM 0 HA THR C 25 -1.034 -10.275 -10.844 1.00 0.00 H new ATOM 0 HB THR C 25 0.658 -7.893 -11.578 1.00 0.00 H new ATOM 0 HG1 THR C 25 0.976 -9.165 -13.555 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.535 -9.465 -11.908 1.00 0.00 H new ATOM 0 HG22 THR C 25 1.990 -9.392 -10.215 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.532 -10.774 -11.239 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.432 -7.674 -8.933 1.00 0.00 N ATOM 2126 CA PHE C 26 -0.125 -7.264 -7.569 1.00 0.00 C ATOM 2127 C PHE C 26 -1.182 -7.782 -6.596 1.00 0.00 C ATOM 2128 O PHE C 26 -0.865 -8.269 -5.512 1.00 0.00 O ATOM 2129 CB PHE C 26 -0.030 -5.741 -7.476 1.00 0.00 C ATOM 2130 CG PHE C 26 0.738 -5.263 -6.276 1.00 0.00 C ATOM 2131 CD1 PHE C 26 2.123 -5.298 -6.270 1.00 0.00 C ATOM 2132 CD2 PHE C 26 0.077 -4.782 -5.157 1.00 0.00 C ATOM 2133 CE1 PHE C 26 2.836 -4.863 -5.170 1.00 0.00 C ATOM 2134 CE2 PHE C 26 0.786 -4.345 -4.053 1.00 0.00 C ATOM 2135 CZ PHE C 26 2.166 -4.385 -4.060 1.00 0.00 C ATOM 0 H PHE C 26 -0.683 -6.907 -9.557 1.00 0.00 H new ATOM 0 HA PHE C 26 0.838 -7.694 -7.296 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.446 -5.358 -8.379 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -1.036 -5.323 -7.444 1.00 0.00 H new ATOM 0 HD1 PHE C 26 2.651 -5.670 -7.136 1.00 0.00 H new ATOM 0 HD2 PHE C 26 -1.002 -4.748 -5.147 1.00 0.00 H new ATOM 0 HE1 PHE C 26 3.915 -4.896 -5.177 1.00 0.00 H new ATOM 0 HE2 PHE C 26 0.261 -3.973 -3.186 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.721 -4.043 -3.199 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.443 -7.654 -6.995 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.569 -8.085 -6.171 1.00 0.00 C ATOM 2147 C GLU C 27 -3.497 -9.570 -5.820 1.00 0.00 C ATOM 2148 O GLU C 27 -3.585 -9.944 -4.651 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.884 -7.792 -6.897 1.00 0.00 C ATOM 2150 CG GLU C 27 -6.121 -8.137 -6.084 1.00 0.00 C ATOM 2151 CD GLU C 27 -7.151 -8.907 -6.888 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -7.609 -8.383 -7.925 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -7.500 -10.035 -6.479 1.00 0.00 O ATOM 0 H GLU C 27 -2.713 -7.251 -7.892 1.00 0.00 H new ATOM 0 HA GLU C 27 -3.522 -7.525 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -4.916 -6.735 -7.160 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -4.906 -8.353 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -5.828 -8.727 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -6.572 -7.219 -5.708 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.372 -10.415 -6.838 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.331 -11.860 -6.633 1.00 0.00 C ATOM 2162 C LYS C 28 -2.061 -12.320 -5.919 1.00 0.00 C ATOM 2163 O LYS C 28 -2.128 -13.118 -4.984 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.456 -12.586 -7.975 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.837 -14.051 -7.837 1.00 0.00 C ATOM 2166 CD LYS C 28 -4.017 -14.711 -9.196 1.00 0.00 C ATOM 2167 CE LYS C 28 -5.340 -14.320 -9.833 1.00 0.00 C ATOM 2168 NZ LYS C 28 -5.776 -15.306 -10.860 1.00 0.00 N ATOM 0 H LYS C 28 -3.297 -10.125 -7.813 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.175 -12.111 -5.990 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.204 -12.080 -8.585 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.508 -12.514 -8.508 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -3.065 -14.577 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -4.761 -14.135 -7.265 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -3.196 -14.423 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -3.971 -15.794 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -6.105 -14.239 -9.060 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -5.245 -13.336 -10.292 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -6.682 -15.002 -11.270 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -5.059 -15.365 -11.611 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -5.892 -16.240 -10.417 1.00 0.00 H new ATOM 2182 N VAL C 29 -0.906 -11.831 -6.359 1.00 0.00 N ATOM 2183 CA VAL C 29 0.363 -12.217 -5.751 1.00 0.00 C ATOM 2184 C VAL C 29 0.462 -11.786 -4.290 1.00 0.00 C ATOM 2185 O VAL C 29 0.933 -12.541 -3.443 1.00 0.00 O ATOM 2186 CB VAL C 29 1.559 -11.626 -6.522 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.877 -12.059 -5.891 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.501 -12.032 -7.987 1.00 0.00 C ATOM 0 H VAL C 29 -0.822 -11.170 -7.131 1.00 0.00 H new ATOM 0 HA VAL C 29 0.397 -13.305 -5.798 1.00 0.00 H new ATOM 0 HB VAL C 29 1.500 -10.539 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.707 -11.630 -6.452 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.918 -11.711 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.950 -13.146 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.353 -11.606 -8.517 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.532 -13.119 -8.065 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.576 -11.663 -8.431 1.00 0.00 H new ATOM 2198 N VAL C 30 0.036 -10.560 -4.008 1.00 0.00 N ATOM 2199 CA VAL C 30 0.102 -10.027 -2.652 1.00 0.00 C ATOM 2200 C VAL C 30 -0.924 -10.670 -1.725 1.00 0.00 C ATOM 2201 O VAL C 30 -0.601 -11.012 -0.589 1.00 0.00 O ATOM 2202 CB VAL C 30 -0.071 -8.495 -2.632 1.00 0.00 C ATOM 2203 CG1 VAL C 30 0.066 -7.955 -1.215 1.00 0.00 C ATOM 2204 CG2 VAL C 30 0.942 -7.836 -3.555 1.00 0.00 C ATOM 0 H VAL C 30 -0.357 -9.919 -4.697 1.00 0.00 H new ATOM 0 HA VAL C 30 1.097 -10.274 -2.282 1.00 0.00 H new ATOM 0 HB VAL C 30 -1.073 -8.258 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -0.060 -6.872 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.698 -8.403 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL C 30 1.053 -8.202 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL C 30 0.807 -6.755 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.951 -8.084 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.795 -8.197 -4.573 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.155 -10.833 -2.195 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.198 -11.435 -1.375 1.00 0.00 C ATOM 2216 C LYS C 31 -2.851 -12.879 -1.032 1.00 0.00 C ATOM 2217 O LYS C 31 -2.960 -13.299 0.118 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.539 -11.382 -2.112 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.712 -11.892 -1.292 1.00 0.00 C ATOM 2220 CD LYS C 31 -7.020 -11.259 -1.739 1.00 0.00 C ATOM 2221 CE LYS C 31 -7.206 -9.877 -1.134 1.00 0.00 C ATOM 2222 NZ LYS C 31 -8.642 -9.492 -1.055 1.00 0.00 N ATOM 0 H LYS C 31 -2.453 -10.559 -3.131 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.275 -10.869 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.738 -10.353 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.464 -11.971 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.780 -12.976 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.543 -11.674 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -7.037 -11.186 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -7.853 -11.899 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -6.770 -9.857 -0.135 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -6.666 -9.143 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -8.889 -8.902 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.232 -10.349 -1.055 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -8.810 -8.956 -0.180 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.424 -13.630 -2.038 1.00 0.00 N ATOM 2237 CA GLN C 32 -2.056 -15.025 -1.845 1.00 0.00 C ATOM 2238 C GLN C 32 -0.846 -15.158 -0.924 1.00 0.00 C ATOM 2239 O GLN C 32 -0.835 -15.999 -0.024 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.762 -15.688 -3.192 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.527 -17.186 -3.093 1.00 0.00 C ATOM 2242 CD GLN C 32 -2.784 -17.951 -2.727 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -3.898 -17.511 -3.011 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -2.610 -19.104 -2.089 1.00 0.00 N ATOM 0 H GLN C 32 -2.324 -13.296 -2.997 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.899 -15.529 -1.373 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.596 -15.503 -3.868 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.883 -15.219 -3.634 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -1.147 -17.554 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -0.757 -17.381 -2.346 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -1.668 -19.431 -1.874 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -3.418 -19.662 -1.815 1.00 0.00 H new ATOM 2253 N PHE C 33 0.169 -14.326 -1.146 1.00 0.00 N ATOM 2254 CA PHE C 33 1.382 -14.344 -0.336 1.00 0.00 C ATOM 2255 C PHE C 33 1.142 -13.885 1.104 1.00 0.00 C ATOM 2256 O PHE C 33 1.591 -14.534 2.048 1.00 0.00 O ATOM 2257 CB PHE C 33 2.457 -13.501 -1.040 1.00 0.00 C ATOM 2258 CG PHE C 33 3.550 -12.968 -0.155 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.355 -13.812 0.594 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.782 -11.604 -0.104 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.368 -13.296 1.388 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.788 -11.085 0.686 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.581 -11.929 1.433 1.00 0.00 C ATOM 0 H PHE C 33 0.173 -13.625 -1.887 1.00 0.00 H new ATOM 0 HA PHE C 33 1.728 -15.374 -0.249 1.00 0.00 H new ATOM 0 HB2 PHE C 33 2.912 -14.107 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE C 33 1.969 -12.659 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.192 -14.879 0.559 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.167 -10.937 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE C 33 5.990 -13.960 1.970 1.00 0.00 H new ATOM 0 HE2 PHE C 33 4.954 -10.018 0.719 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.368 -11.524 2.053 1.00 0.00 H new ATOM 2273 N PHE C 34 0.446 -12.767 1.273 1.00 0.00 N ATOM 2274 CA PHE C 34 0.175 -12.242 2.609 1.00 0.00 C ATOM 2275 C PHE C 34 -0.895 -13.048 3.350 1.00 0.00 C ATOM 2276 O PHE C 34 -0.829 -13.190 4.569 1.00 0.00 O ATOM 2277 CB PHE C 34 -0.175 -10.757 2.540 1.00 0.00 C ATOM 2278 CG PHE C 34 1.057 -9.902 2.438 1.00 0.00 C ATOM 2279 CD1 PHE C 34 1.650 -9.653 1.209 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.645 -9.376 3.578 1.00 0.00 C ATOM 2281 CE1 PHE C 34 2.805 -8.897 1.122 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.796 -8.616 3.497 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.378 -8.378 2.267 1.00 0.00 C ATOM 0 H PHE C 34 0.061 -12.210 0.510 1.00 0.00 H new ATOM 0 HA PHE C 34 1.088 -12.348 3.194 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.818 -10.574 1.679 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.742 -10.475 3.427 1.00 0.00 H new ATOM 0 HD1 PHE C 34 1.205 -10.054 0.310 1.00 0.00 H new ATOM 0 HD2 PHE C 34 1.197 -9.563 4.543 1.00 0.00 H new ATOM 0 HE1 PHE C 34 3.259 -8.713 0.159 1.00 0.00 H new ATOM 0 HE2 PHE C 34 3.240 -8.209 4.393 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.280 -7.787 2.201 1.00 0.00 H new ATOM 2293 N ASN C 35 -1.866 -13.595 2.623 1.00 0.00 N ATOM 2294 CA ASN C 35 -2.912 -14.403 3.254 1.00 0.00 C ATOM 2295 C ASN C 35 -2.299 -15.568 4.034 1.00 0.00 C ATOM 2296 O ASN C 35 -2.847 -16.016 5.041 1.00 0.00 O ATOM 2297 CB ASN C 35 -3.908 -14.930 2.214 1.00 0.00 C ATOM 2298 CG ASN C 35 -4.969 -13.909 1.828 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -4.637 -12.624 1.917 1.00 0.00 O flip ATOM 2300 ND2 ASN C 35 -6.083 -14.276 1.455 1.00 0.00 N flip ATOM 0 H ASN C 35 -1.953 -13.497 1.611 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.452 -13.761 3.950 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.363 -15.234 1.320 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.397 -15.821 2.608 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -6.300 -15.271 1.400 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -6.789 -13.585 1.201 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.155 -16.045 3.557 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.441 -17.151 4.191 1.00 0.00 C ATOM 2309 C ASP C 36 -0.009 -16.807 5.619 1.00 0.00 C ATOM 2310 O ASP C 36 0.301 -17.697 6.411 1.00 0.00 O ATOM 2311 CB ASP C 36 0.782 -17.537 3.358 1.00 0.00 C ATOM 2312 CG ASP C 36 0.404 -18.228 2.062 1.00 0.00 C ATOM 2313 OD1 ASP C 36 -0.551 -19.033 2.076 1.00 0.00 O ATOM 2314 OD2 ASP C 36 1.064 -17.966 1.035 1.00 0.00 O ATOM 0 H ASP C 36 -0.696 -15.679 2.723 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.128 -17.996 4.244 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.362 -16.642 3.134 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.424 -18.195 3.944 1.00 0.00 H new ATOM 2319 N ASN C 37 0.017 -15.515 5.940 1.00 0.00 N ATOM 2320 CA ASN C 37 0.423 -15.076 7.273 1.00 0.00 C ATOM 2321 C ASN C 37 -0.768 -14.613 8.111 1.00 0.00 C ATOM 2322 O ASN C 37 -0.701 -14.609 9.340 1.00 0.00 O ATOM 2323 CB ASN C 37 1.473 -13.967 7.185 1.00 0.00 C ATOM 2324 CG ASN C 37 0.930 -12.693 6.575 1.00 0.00 C ATOM 2325 OD1 ASN C 37 -0.017 -12.100 7.089 1.00 0.00 O ATOM 2326 ND2 ASN C 37 1.531 -12.266 5.472 1.00 0.00 N ATOM 0 H ASN C 37 -0.236 -14.760 5.302 1.00 0.00 H new ATOM 0 HA ASN C 37 0.863 -15.939 7.773 1.00 0.00 H new ATOM 0 HB2 ASN C 37 1.853 -13.753 8.184 1.00 0.00 H new ATOM 0 HB3 ASN C 37 2.317 -14.318 6.591 1.00 0.00 H new ATOM 0 HD21 ASN C 37 1.211 -11.412 5.014 1.00 0.00 H new ATOM 0 HD22 ASN C 37 2.313 -12.791 5.082 1.00 0.00 H new ATOM 2333 N GLY C 38 -1.864 -14.238 7.454 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.043 -13.803 8.189 1.00 0.00 C ATOM 2335 C GLY C 38 -3.639 -12.498 7.684 1.00 0.00 C ATOM 2336 O GLY C 38 -4.474 -11.898 8.360 1.00 0.00 O ATOM 0 H GLY C 38 -1.958 -14.227 6.438 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -3.802 -14.583 8.133 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -2.781 -13.688 9.241 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.227 -12.057 6.499 1.00 0.00 N ATOM 2341 CA VAL C 39 -3.749 -10.818 5.932 1.00 0.00 C ATOM 2342 C VAL C 39 -5.000 -11.087 5.103 1.00 0.00 C ATOM 2343 O VAL C 39 -5.098 -12.111 4.426 1.00 0.00 O ATOM 2344 CB VAL C 39 -2.706 -10.109 5.047 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.217 -8.745 4.607 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.384 -9.977 5.786 1.00 0.00 C ATOM 0 H VAL C 39 -2.539 -12.535 5.917 1.00 0.00 H new ATOM 0 HA VAL C 39 -3.995 -10.168 6.771 1.00 0.00 H new ATOM 0 HB VAL C 39 -2.540 -10.714 4.155 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.467 -8.259 3.983 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.138 -8.868 4.038 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.412 -8.129 5.485 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -0.658 -9.474 5.147 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.532 -9.394 6.695 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.012 -10.968 6.047 1.00 0.00 H new ATOM 2356 N ASP C 40 -5.958 -10.165 5.158 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.200 -10.316 4.408 1.00 0.00 C ATOM 2358 C ASP C 40 -7.877 -8.966 4.185 1.00 0.00 C ATOM 2359 O ASP C 40 -7.372 -7.926 4.606 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.152 -11.259 5.146 1.00 0.00 C ATOM 2361 CG ASP C 40 -7.806 -12.719 4.931 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -8.323 -13.314 3.961 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -7.019 -13.267 5.730 1.00 0.00 O ATOM 0 H ASP C 40 -5.898 -9.310 5.711 1.00 0.00 H new ATOM 0 HA ASP C 40 -6.955 -10.741 3.435 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.125 -11.036 6.213 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.172 -11.077 4.808 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.026 -8.998 3.519 1.00 0.00 N ATOM 2369 CA GLY C 41 -9.764 -7.779 3.241 1.00 0.00 C ATOM 2370 C GLY C 41 -9.923 -7.526 1.755 1.00 0.00 C ATOM 2371 O GLY C 41 -10.072 -8.465 0.973 1.00 0.00 O ATOM 0 H GLY C 41 -9.461 -9.850 3.165 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -10.749 -7.840 3.704 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.249 -6.934 3.698 1.00 0.00 H new ATOM 2375 N GLU C 42 -9.898 -6.255 1.362 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.046 -5.891 -0.041 1.00 0.00 C ATOM 2377 C GLU C 42 -9.249 -4.633 -0.368 1.00 0.00 C ATOM 2378 O GLU C 42 -8.981 -3.809 0.507 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.522 -5.671 -0.379 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.376 -6.917 -0.211 1.00 0.00 C ATOM 2381 CD GLU C 42 -13.673 -6.843 -0.994 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -13.612 -6.657 -2.227 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -14.749 -6.974 -0.373 1.00 0.00 O ATOM 0 H GLU C 42 -9.777 -5.464 1.994 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.657 -6.712 -0.643 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -11.918 -4.880 0.258 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.602 -5.321 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -11.808 -7.789 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -12.601 -7.059 0.846 1.00 0.00 H new ATOM 2390 N TRP C 43 -8.874 -4.492 -1.635 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.109 -3.337 -2.085 1.00 0.00 C ATOM 2392 C TRP C 43 -8.981 -2.095 -2.156 1.00 0.00 C ATOM 2393 O TRP C 43 -9.954 -2.043 -2.909 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.475 -3.617 -3.446 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.460 -4.719 -3.402 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.695 -6.056 -3.548 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.051 -4.579 -3.187 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.518 -6.755 -3.440 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.494 -5.872 -3.219 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.205 -3.486 -2.974 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -3.132 -6.101 -3.045 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -2.853 -3.715 -2.800 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.328 -5.013 -2.837 1.00 0.00 C ATOM 0 H TRP C 43 -9.089 -5.166 -2.370 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.318 -3.153 -1.358 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.257 -3.879 -4.158 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.000 -2.707 -3.814 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.664 -6.499 -3.723 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -5.422 -7.768 -3.513 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -4.601 -2.482 -2.946 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.725 -7.101 -3.073 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.190 -2.879 -2.633 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.267 -5.158 -2.699 1.00 0.00 H new ATOM 2414 N THR C 44 -8.617 -1.094 -1.367 1.00 0.00 N ATOM 2415 CA THR C 44 -9.356 0.156 -1.334 1.00 0.00 C ATOM 2416 C THR C 44 -8.534 1.276 -1.954 1.00 0.00 C ATOM 2417 O THR C 44 -7.320 1.354 -1.762 1.00 0.00 O ATOM 2418 CB THR C 44 -9.731 0.516 0.104 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.570 0.723 0.888 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.565 -0.545 0.789 1.00 0.00 C ATOM 0 H THR C 44 -7.813 -1.125 -0.741 1.00 0.00 H new ATOM 0 HA THR C 44 -10.270 0.030 -1.914 1.00 0.00 H new ATOM 0 HB THR C 44 -10.324 1.428 0.028 1.00 0.00 H new ATOM 0 HG1 THR C 44 -7.774 0.529 0.351 1.00 0.00 H new ATOM 0 HG21 THR C 44 -10.796 -0.226 1.805 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.492 -0.692 0.235 1.00 0.00 H new ATOM 0 HG23 THR C 44 -10.008 -1.482 0.820 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.208 2.144 -2.688 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.549 3.274 -3.332 1.00 0.00 C ATOM 2430 C TYR C 45 -8.105 4.296 -2.292 1.00 0.00 C ATOM 2431 O TYR C 45 -8.811 4.546 -1.315 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.477 3.927 -4.359 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.524 3.196 -5.682 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.550 3.413 -6.649 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.539 2.290 -5.965 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.586 2.748 -7.861 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.581 1.620 -7.174 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.603 1.854 -8.118 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.641 1.190 -9.323 1.00 0.00 O ATOM 0 H TYR C 45 -10.213 2.090 -2.855 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.666 2.903 -3.853 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.484 3.978 -3.946 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.151 4.953 -4.531 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.752 4.113 -6.451 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.307 2.106 -5.229 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -7.821 2.928 -8.602 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.375 0.917 -7.378 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.420 0.596 -9.345 1.00 0.00 H new ATOM 2449 N ASP C 46 -6.929 4.876 -2.501 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.390 5.861 -1.571 1.00 0.00 C ATOM 2451 C ASP C 46 -7.169 7.171 -1.650 1.00 0.00 C ATOM 2452 O ASP C 46 -7.869 7.431 -2.629 1.00 0.00 O ATOM 2453 CB ASP C 46 -4.913 6.124 -1.873 1.00 0.00 C ATOM 2454 CG ASP C 46 -4.083 4.856 -1.857 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -4.560 3.828 -2.381 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -2.954 4.893 -1.324 1.00 0.00 O ATOM 0 H ASP C 46 -6.331 4.682 -3.305 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.487 5.458 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -4.824 6.600 -2.849 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -4.515 6.825 -1.139 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.042 7.991 -0.611 1.00 0.00 N ATOM 2462 CA ASP C 47 -7.735 9.274 -0.562 1.00 0.00 C ATOM 2463 C ASP C 47 -7.210 10.212 -1.643 1.00 0.00 C ATOM 2464 O ASP C 47 -6.004 10.428 -1.760 1.00 0.00 O ATOM 2465 CB ASP C 47 -7.563 9.916 0.816 1.00 0.00 C ATOM 2466 CG ASP C 47 -8.257 9.131 1.912 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -9.507 9.108 1.927 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -7.553 8.539 2.756 1.00 0.00 O ATOM 0 H ASP C 47 -6.467 7.790 0.207 1.00 0.00 H new ATOM 0 HA ASP C 47 -8.795 9.097 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -6.501 9.995 1.047 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -7.960 10.931 0.793 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.124 10.756 -2.439 1.00 0.00 N ATOM 2474 CA ALA C 48 -7.759 11.662 -3.523 1.00 0.00 C ATOM 2475 C ALA C 48 -6.938 12.843 -3.020 1.00 0.00 C ATOM 2476 O ALA C 48 -7.169 13.358 -1.925 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.009 12.155 -4.236 1.00 0.00 C ATOM 0 H ALA C 48 -9.126 10.585 -2.354 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.139 11.106 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.725 12.830 -5.043 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.552 11.305 -4.649 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -9.647 12.684 -3.528 1.00 0.00 H new ATOM 2483 N THR C 49 -5.981 13.267 -3.838 1.00 0.00 N ATOM 2484 CA THR C 49 -5.117 14.391 -3.501 1.00 0.00 C ATOM 2485 C THR C 49 -4.864 15.250 -4.735 1.00 0.00 C ATOM 2486 O THR C 49 -4.977 14.774 -5.864 1.00 0.00 O ATOM 2487 CB THR C 49 -3.791 13.889 -2.927 1.00 0.00 C ATOM 2488 OG1 THR C 49 -4.012 12.857 -1.982 1.00 0.00 O ATOM 2489 CG2 THR C 49 -2.988 14.974 -2.241 1.00 0.00 C ATOM 0 H THR C 49 -5.784 12.845 -4.746 1.00 0.00 H new ATOM 0 HA THR C 49 -5.616 14.999 -2.746 1.00 0.00 H new ATOM 0 HB THR C 49 -3.224 13.525 -3.784 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.152 12.548 -1.627 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.060 14.552 -1.856 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.758 15.764 -2.956 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.567 15.389 -1.416 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.527 16.517 -4.518 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.270 17.429 -5.628 1.00 0.00 C ATOM 2499 C LYS C 50 -2.864 18.013 -5.551 1.00 0.00 C ATOM 2500 O LYS C 50 -2.483 18.620 -4.551 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.304 18.557 -5.636 1.00 0.00 C ATOM 2502 CG LYS C 50 -6.560 18.223 -6.424 1.00 0.00 C ATOM 2503 CD LYS C 50 -7.585 19.342 -6.338 1.00 0.00 C ATOM 2504 CE LYS C 50 -8.656 19.038 -5.302 1.00 0.00 C ATOM 2505 NZ LYS C 50 -9.960 19.666 -5.649 1.00 0.00 N ATOM 0 H LYS C 50 -4.426 16.934 -3.592 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.351 16.860 -6.554 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -5.581 18.792 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -4.849 19.454 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -6.300 18.046 -7.468 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -6.995 17.299 -6.043 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -7.085 20.276 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -8.051 19.486 -7.313 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -8.784 17.959 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -8.329 19.397 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -10.662 19.434 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -9.845 20.698 -5.704 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -10.286 19.305 -6.568 1.00 0.00 H new ATOM 2519 N THR C 51 -2.099 17.825 -6.623 1.00 0.00 N ATOM 2520 CA THR C 51 -0.734 18.330 -6.696 1.00 0.00 C ATOM 2521 C THR C 51 -0.660 19.526 -7.644 1.00 0.00 C ATOM 2522 O THR C 51 -1.160 19.468 -8.768 1.00 0.00 O ATOM 2523 CB THR C 51 0.212 17.216 -7.157 1.00 0.00 C ATOM 2524 OG1 THR C 51 0.272 16.183 -6.190 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.628 17.687 -7.409 1.00 0.00 C ATOM 0 H THR C 51 -2.405 17.323 -7.457 1.00 0.00 H new ATOM 0 HA THR C 51 -0.426 18.661 -5.704 1.00 0.00 H new ATOM 0 HB THR C 51 -0.204 16.860 -8.099 1.00 0.00 H new ATOM 0 HG1 THR C 51 0.879 15.479 -6.501 1.00 0.00 H new ATOM 0 HG21 THR C 51 2.240 16.845 -7.732 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.624 18.452 -8.186 1.00 0.00 H new ATOM 0 HG23 THR C 51 2.041 18.104 -6.491 1.00 0.00 H new ATOM 2533 N PHE C 52 -0.034 20.607 -7.186 1.00 0.00 N ATOM 2534 CA PHE C 52 0.103 21.813 -7.999 1.00 0.00 C ATOM 2535 C PHE C 52 1.249 21.683 -8.996 1.00 0.00 C ATOM 2536 O PHE C 52 2.406 21.517 -8.609 1.00 0.00 O ATOM 2537 CB PHE C 52 0.328 23.036 -7.108 1.00 0.00 C ATOM 2538 CG PHE C 52 0.282 24.339 -7.855 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -0.927 24.965 -8.110 1.00 0.00 C ATOM 2540 CD2 PHE C 52 1.450 24.939 -8.300 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -0.971 26.165 -8.796 1.00 0.00 C ATOM 2542 CE2 PHE C 52 1.413 26.137 -8.986 1.00 0.00 C ATOM 2543 CZ PHE C 52 0.200 26.751 -9.235 1.00 0.00 C ATOM 0 H PHE C 52 0.386 20.673 -6.259 1.00 0.00 H new ATOM 0 HA PHE C 52 -0.824 21.941 -8.558 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.429 23.049 -6.324 1.00 0.00 H new ATOM 0 HB3 PHE C 52 1.296 22.943 -6.615 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -1.846 24.511 -7.769 1.00 0.00 H new ATOM 0 HD2 PHE C 52 2.401 24.464 -8.108 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -1.920 26.643 -8.988 1.00 0.00 H new ATOM 0 HE2 PHE C 52 2.330 26.593 -9.327 1.00 0.00 H new ATOM 0 HZ PHE C 52 0.168 27.687 -9.772 1.00 0.00 H new ATOM 2553 N THR C 53 0.925 21.773 -10.281 1.00 0.00 N ATOM 2554 CA THR C 53 1.932 21.680 -11.331 1.00 0.00 C ATOM 2555 C THR C 53 2.407 23.072 -11.737 1.00 0.00 C ATOM 2556 O THR C 53 1.603 23.925 -12.111 1.00 0.00 O ATOM 2557 CB THR C 53 1.370 20.942 -12.546 1.00 0.00 C ATOM 2558 OG1 THR C 53 0.943 19.639 -12.189 1.00 0.00 O ATOM 2559 CG2 THR C 53 2.368 20.803 -13.678 1.00 0.00 C ATOM 0 H THR C 53 -0.027 21.910 -10.620 1.00 0.00 H new ATOM 0 HA THR C 53 2.782 21.119 -10.943 1.00 0.00 H new ATOM 0 HB THR C 53 0.535 21.551 -12.892 1.00 0.00 H new ATOM 0 HG1 THR C 53 0.281 19.698 -11.469 1.00 0.00 H new ATOM 0 HG21 THR C 53 1.905 20.270 -14.508 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.680 21.793 -14.011 1.00 0.00 H new ATOM 0 HG23 THR C 53 3.238 20.246 -13.330 1.00 0.00 H new ATOM 2567 N VAL C 54 3.715 23.298 -11.656 1.00 0.00 N ATOM 2568 CA VAL C 54 4.283 24.593 -12.013 1.00 0.00 C ATOM 2569 C VAL C 54 4.225 24.824 -13.517 1.00 0.00 C ATOM 2570 O VAL C 54 4.168 23.877 -14.301 1.00 0.00 O ATOM 2571 CB VAL C 54 5.746 24.724 -11.548 1.00 0.00 C ATOM 2572 CG1 VAL C 54 6.200 26.173 -11.620 1.00 0.00 C ATOM 2573 CG2 VAL C 54 5.916 24.174 -10.139 1.00 0.00 C ATOM 0 H VAL C 54 4.398 22.605 -11.348 1.00 0.00 H new ATOM 0 HA VAL C 54 3.680 25.345 -11.504 1.00 0.00 H new ATOM 0 HB VAL C 54 6.373 24.135 -12.218 1.00 0.00 H new ATOM 0 HG11 VAL C 54 7.236 26.247 -11.288 1.00 0.00 H new ATOM 0 HG12 VAL C 54 6.122 26.528 -12.648 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.568 26.785 -10.976 1.00 0.00 H new ATOM 0 HG21 VAL C 54 6.957 24.277 -9.831 1.00 0.00 H new ATOM 0 HG22 VAL C 54 5.278 24.730 -9.452 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.635 23.121 -10.123 1.00 0.00 H new ATOM 2583 N THR C 55 4.240 26.092 -13.911 1.00 0.00 N ATOM 2584 CA THR C 55 4.190 26.457 -15.321 1.00 0.00 C ATOM 2585 C THR C 55 4.930 27.764 -15.569 1.00 0.00 C ATOM 2586 O THR C 55 5.974 27.787 -16.223 1.00 0.00 O ATOM 2587 CB THR C 55 2.737 26.585 -15.781 1.00 0.00 C ATOM 2588 OG1 THR C 55 2.015 25.399 -15.498 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.601 26.863 -17.262 1.00 0.00 C ATOM 0 H THR C 55 4.286 26.886 -13.272 1.00 0.00 H new ATOM 0 HA THR C 55 4.679 25.670 -15.895 1.00 0.00 H new ATOM 0 HB THR C 55 2.333 27.434 -15.230 1.00 0.00 H new ATOM 0 HG1 THR C 55 1.152 25.423 -15.962 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.545 26.942 -17.522 1.00 0.00 H new ATOM 0 HG22 THR C 55 3.106 27.798 -17.504 1.00 0.00 H new ATOM 0 HG23 THR C 55 3.054 26.049 -17.828 1.00 0.00 H new ATOM 2597 N GLU C 56 4.382 28.849 -15.042 1.00 0.00 N ATOM 2598 CA GLU C 56 4.984 30.168 -15.199 1.00 0.00 C ATOM 2599 C GLU C 56 5.091 30.545 -16.674 1.00 0.00 C ATOM 2600 O GLU C 56 4.167 31.215 -17.180 1.00 0.00 O ATOM 2601 CB GLU C 56 6.370 30.200 -14.551 1.00 0.00 C ATOM 2602 CG GLU C 56 6.328 30.286 -13.034 1.00 0.00 C ATOM 2603 CD GLU C 56 7.663 29.952 -12.395 1.00 0.00 C ATOM 2604 OE1 GLU C 56 8.552 30.828 -12.385 1.00 0.00 O ATOM 2605 OE2 GLU C 56 7.817 28.814 -11.905 1.00 0.00 O ATOM 2606 OXT GLU C 56 6.098 30.166 -17.309 1.00 0.00 O ATOM 0 H GLU C 56 3.518 28.843 -14.500 1.00 0.00 H new ATOM 0 HA GLU C 56 4.341 30.895 -14.702 1.00 0.00 H new ATOM 0 HB2 GLU C 56 6.919 29.304 -14.841 1.00 0.00 H new ATOM 0 HB3 GLU C 56 6.925 31.054 -14.940 1.00 0.00 H new ATOM 0 HG2 GLU C 56 6.029 31.292 -12.739 1.00 0.00 H new ATOM 0 HG3 GLU C 56 5.567 29.603 -12.656 1.00 0.00 H new ATOM 2614 N MET D 1 0.814 1.925 -12.203 1.00 0.00 N ATOM 2615 CA MET D 1 -0.083 1.898 -11.018 1.00 0.00 C ATOM 2616 C MET D 1 0.718 1.836 -9.722 1.00 0.00 C ATOM 2617 O MET D 1 1.544 0.944 -9.534 1.00 0.00 O ATOM 2618 CB MET D 1 -1.002 0.677 -11.133 1.00 0.00 C ATOM 2619 CG MET D 1 -2.076 0.619 -10.058 1.00 0.00 C ATOM 2620 SD MET D 1 -3.379 1.839 -10.312 1.00 0.00 S ATOM 2621 CE MET D 1 -2.775 3.194 -9.309 1.00 0.00 C ATOM 0 H1 MET D 1 0.394 2.523 -12.943 1.00 0.00 H new ATOM 0 H2 MET D 1 1.739 2.313 -11.929 1.00 0.00 H new ATOM 0 H3 MET D 1 0.937 0.959 -12.567 1.00 0.00 H new ATOM 0 HA MET D 1 -0.674 2.813 -10.993 1.00 0.00 H new ATOM 0 HB2 MET D 1 -1.480 0.684 -12.112 1.00 0.00 H new ATOM 0 HB3 MET D 1 -0.397 -0.228 -11.080 1.00 0.00 H new ATOM 0 HG2 MET D 1 -2.515 -0.378 -10.042 1.00 0.00 H new ATOM 0 HG3 MET D 1 -1.617 0.781 -9.082 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.619 3.723 -8.866 1.00 0.00 H new ATOM 0 HE2 MET D 1 -2.135 2.804 -8.518 1.00 0.00 H new ATOM 0 HE3 MET D 1 -2.203 3.881 -9.932 1.00 0.00 H new ATOM 2633 N GLN D 2 0.462 2.786 -8.828 1.00 0.00 N ATOM 2634 CA GLN D 2 1.156 2.837 -7.547 1.00 0.00 C ATOM 2635 C GLN D 2 0.406 2.021 -6.501 1.00 0.00 C ATOM 2636 O GLN D 2 -0.773 2.264 -6.243 1.00 0.00 O ATOM 2637 CB GLN D 2 1.299 4.286 -7.078 1.00 0.00 C ATOM 2638 CG GLN D 2 2.368 4.480 -6.014 1.00 0.00 C ATOM 2639 CD GLN D 2 2.689 5.942 -5.770 1.00 0.00 C ATOM 2640 OE1 GLN D 2 3.387 6.577 -6.562 1.00 0.00 O ATOM 2641 NE2 GLN D 2 2.180 6.485 -4.670 1.00 0.00 N ATOM 0 H GLN D 2 -0.221 3.531 -8.968 1.00 0.00 H new ATOM 0 HA GLN D 2 2.150 2.409 -7.677 1.00 0.00 H new ATOM 0 HB2 GLN D 2 1.535 4.915 -7.936 1.00 0.00 H new ATOM 0 HB3 GLN D 2 0.341 4.628 -6.685 1.00 0.00 H new ATOM 0 HG2 GLN D 2 2.034 4.025 -5.082 1.00 0.00 H new ATOM 0 HG3 GLN D 2 3.276 3.958 -6.317 1.00 0.00 H new ATOM 0 HE21 GLN D 2 1.607 5.922 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN D 2 2.362 7.465 -4.454 1.00 0.00 H new ATOM 2650 N TYR D 3 1.088 1.043 -5.914 1.00 0.00 N ATOM 2651 CA TYR D 3 0.470 0.183 -4.910 1.00 0.00 C ATOM 2652 C TYR D 3 1.028 0.431 -3.512 1.00 0.00 C ATOM 2653 O TYR D 3 2.238 0.543 -3.315 1.00 0.00 O ATOM 2654 CB TYR D 3 0.644 -1.287 -5.288 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.356 -1.768 -6.315 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -0.088 -1.676 -7.675 1.00 0.00 C ATOM 2657 CD2 TYR D 3 -1.571 -2.315 -5.921 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -1.004 -2.115 -8.612 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -2.490 -2.756 -6.852 1.00 0.00 C ATOM 2660 CZ TYR D 3 -2.203 -2.654 -8.196 1.00 0.00 C ATOM 2661 OH TYR D 3 -3.118 -3.092 -9.126 1.00 0.00 O ATOM 0 H TYR D 3 2.064 0.826 -6.115 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.591 0.430 -4.888 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.652 -1.438 -5.675 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.553 -1.898 -4.390 1.00 0.00 H new ATOM 0 HD1 TYR D 3 0.850 -1.255 -8.005 1.00 0.00 H new ATOM 0 HD2 TYR D 3 -1.800 -2.397 -4.869 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -0.782 -2.036 -9.666 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -3.430 -3.179 -6.529 1.00 0.00 H new ATOM 0 HH TYR D 3 -3.231 -4.062 -9.042 1.00 0.00 H new ATOM 2671 N LYS D 4 0.114 0.507 -2.550 1.00 0.00 N ATOM 2672 CA LYS D 4 0.473 0.734 -1.155 1.00 0.00 C ATOM 2673 C LYS D 4 0.306 -0.545 -0.340 1.00 0.00 C ATOM 2674 O LYS D 4 -0.716 -1.224 -0.433 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.387 1.848 -0.558 1.00 0.00 C ATOM 2676 CG LYS D 4 0.187 3.240 -0.765 1.00 0.00 C ATOM 2677 CD LYS D 4 -0.441 4.248 0.184 1.00 0.00 C ATOM 2678 CE LYS D 4 -0.153 5.677 -0.250 1.00 0.00 C ATOM 2679 NZ LYS D 4 -1.006 6.660 0.473 1.00 0.00 N ATOM 0 H LYS D 4 -0.889 0.414 -2.713 1.00 0.00 H new ATOM 0 HA LYS D 4 1.520 1.036 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -1.381 1.805 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -0.507 1.669 0.511 1.00 0.00 H new ATOM 0 HG2 LYS D 4 1.266 3.217 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS D 4 0.019 3.555 -1.795 1.00 0.00 H new ATOM 0 HD2 LYS D 4 -1.519 4.089 0.224 1.00 0.00 H new ATOM 0 HD3 LYS D 4 -0.057 4.088 1.192 1.00 0.00 H new ATOM 0 HE2 LYS D 4 0.897 5.906 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS D 4 -0.320 5.771 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 -0.779 7.622 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 -2.008 6.458 0.281 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 -0.828 6.588 1.495 1.00 0.00 H new ATOM 2693 N VAL D 5 1.320 -0.867 0.459 1.00 0.00 N ATOM 2694 CA VAL D 5 1.287 -2.065 1.292 1.00 0.00 C ATOM 2695 C VAL D 5 1.934 -1.804 2.649 1.00 0.00 C ATOM 2696 O VAL D 5 3.065 -1.324 2.724 1.00 0.00 O ATOM 2697 CB VAL D 5 2.012 -3.242 0.612 1.00 0.00 C ATOM 2698 CG1 VAL D 5 1.794 -4.528 1.392 1.00 0.00 C ATOM 2699 CG2 VAL D 5 1.543 -3.396 -0.828 1.00 0.00 C ATOM 0 H VAL D 5 2.174 -0.316 0.547 1.00 0.00 H new ATOM 0 HA VAL D 5 0.238 -2.326 1.432 1.00 0.00 H new ATOM 0 HB VAL D 5 3.081 -3.029 0.602 1.00 0.00 H new ATOM 0 HG11 VAL D 5 2.314 -5.347 0.896 1.00 0.00 H new ATOM 0 HG12 VAL D 5 2.184 -4.411 2.403 1.00 0.00 H new ATOM 0 HG13 VAL D 5 0.728 -4.750 1.437 1.00 0.00 H new ATOM 0 HG21 VAL D 5 2.065 -4.232 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL D 5 0.470 -3.585 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL D 5 1.758 -2.481 -1.380 1.00 0.00 H new ATOM 2709 N ILE D 6 1.212 -2.123 3.719 1.00 0.00 N ATOM 2710 CA ILE D 6 1.720 -1.922 5.070 1.00 0.00 C ATOM 2711 C ILE D 6 2.286 -3.216 5.649 1.00 0.00 C ATOM 2712 O ILE D 6 1.597 -4.234 5.706 1.00 0.00 O ATOM 2713 CB ILE D 6 0.620 -1.398 6.012 1.00 0.00 C ATOM 2714 CG1 ILE D 6 -0.142 -0.244 5.355 1.00 0.00 C ATOM 2715 CG2 ILE D 6 1.222 -0.955 7.336 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -1.388 0.164 6.109 1.00 0.00 C ATOM 0 H ILE D 6 0.274 -2.521 3.676 1.00 0.00 H new ATOM 0 HA ILE D 6 2.515 -1.180 4.997 1.00 0.00 H new ATOM 0 HB ILE D 6 -0.083 -2.207 6.207 1.00 0.00 H new ATOM 0 HG12 ILE D 6 0.521 0.617 5.271 1.00 0.00 H new ATOM 0 HG13 ILE D 6 -0.419 -0.533 4.341 1.00 0.00 H new ATOM 0 HG21 ILE D 6 0.431 -0.587 7.990 1.00 0.00 H new ATOM 0 HG22 ILE D 6 1.721 -1.800 7.810 1.00 0.00 H new ATOM 0 HG23 ILE D 6 1.945 -0.159 7.159 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -1.877 0.986 5.586 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -2.070 -0.684 6.170 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -1.116 0.484 7.115 1.00 0.00 H new ATOM 2728 N LEU D 7 3.538 -3.168 6.093 1.00 0.00 N ATOM 2729 CA LEU D 7 4.188 -4.331 6.686 1.00 0.00 C ATOM 2730 C LEU D 7 4.915 -3.926 7.965 1.00 0.00 C ATOM 2731 O LEU D 7 5.875 -3.156 7.923 1.00 0.00 O ATOM 2732 CB LEU D 7 5.175 -4.961 5.696 1.00 0.00 C ATOM 2733 CG LEU D 7 4.608 -6.104 4.849 1.00 0.00 C ATOM 2734 CD1 LEU D 7 4.003 -5.563 3.564 1.00 0.00 C ATOM 2735 CD2 LEU D 7 5.690 -7.132 4.540 1.00 0.00 C ATOM 0 H LEU D 7 4.124 -2.334 6.053 1.00 0.00 H new ATOM 0 HA LEU D 7 3.424 -5.070 6.929 1.00 0.00 H new ATOM 0 HB2 LEU D 7 5.542 -4.182 5.028 1.00 0.00 H new ATOM 0 HB3 LEU D 7 6.035 -5.334 6.252 1.00 0.00 H new ATOM 0 HG LEU D 7 3.821 -6.597 5.420 1.00 0.00 H new ATOM 0 HD11 LEU D 7 3.605 -6.388 2.974 1.00 0.00 H new ATOM 0 HD12 LEU D 7 3.199 -4.868 3.805 1.00 0.00 H new ATOM 0 HD13 LEU D 7 4.771 -5.044 2.990 1.00 0.00 H new ATOM 0 HD21 LEU D 7 5.267 -7.936 3.937 1.00 0.00 H new ATOM 0 HD22 LEU D 7 6.500 -6.653 3.989 1.00 0.00 H new ATOM 0 HD23 LEU D 7 6.078 -7.543 5.472 1.00 0.00 H new ATOM 2950 N ASP D 22 7.304 -8.320 7.558 1.00 0.00 N ATOM 2951 CA ASP D 22 8.529 -7.602 7.892 1.00 0.00 C ATOM 2952 C ASP D 22 9.027 -6.789 6.710 1.00 0.00 C ATOM 2953 O ASP D 22 8.894 -7.193 5.556 1.00 0.00 O ATOM 2954 CB ASP D 22 9.613 -8.584 8.339 1.00 0.00 C ATOM 2955 CG ASP D 22 9.496 -8.944 9.807 1.00 0.00 C ATOM 2956 OD1 ASP D 22 8.357 -9.100 10.293 1.00 0.00 O ATOM 2957 OD2 ASP D 22 10.546 -9.069 10.473 1.00 0.00 O ATOM 0 HA ASP D 22 8.304 -6.917 8.710 1.00 0.00 H new ATOM 0 HB2 ASP D 22 9.547 -9.491 7.739 1.00 0.00 H new ATOM 0 HB3 ASP D 22 10.594 -8.148 8.152 1.00 0.00 H new ATOM 2962 N ALA D 23 9.608 -5.641 7.014 1.00 0.00 N ATOM 2963 CA ALA D 23 10.142 -4.755 5.995 1.00 0.00 C ATOM 2964 C ALA D 23 11.033 -5.517 5.015 1.00 0.00 C ATOM 2965 O ALA D 23 10.944 -5.327 3.802 1.00 0.00 O ATOM 2966 CB ALA D 23 10.911 -3.631 6.666 1.00 0.00 C ATOM 0 H ALA D 23 9.722 -5.299 7.968 1.00 0.00 H new ATOM 0 HA ALA D 23 9.317 -4.334 5.421 1.00 0.00 H new ATOM 0 HB1 ALA D 23 11.315 -2.962 5.906 1.00 0.00 H new ATOM 0 HB2 ALA D 23 10.242 -3.074 7.322 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.729 -4.049 7.253 1.00 0.00 H new ATOM 2972 N ALA D 24 11.886 -6.385 5.553 1.00 0.00 N ATOM 2973 CA ALA D 24 12.787 -7.185 4.732 1.00 0.00 C ATOM 2974 C ALA D 24 12.019 -8.201 3.891 1.00 0.00 C ATOM 2975 O ALA D 24 12.455 -8.579 2.803 1.00 0.00 O ATOM 2976 CB ALA D 24 13.810 -7.892 5.609 1.00 0.00 C ATOM 0 H ALA D 24 11.971 -6.552 6.556 1.00 0.00 H new ATOM 0 HA ALA D 24 13.307 -6.511 4.051 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.477 -8.486 4.984 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.392 -7.152 6.159 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.296 -8.545 6.314 1.00 0.00 H new ATOM 2982 N THR D 25 10.875 -8.643 4.406 1.00 0.00 N ATOM 2983 CA THR D 25 10.045 -9.621 3.708 1.00 0.00 C ATOM 2984 C THR D 25 9.547 -9.062 2.380 1.00 0.00 C ATOM 2985 O THR D 25 9.509 -9.765 1.371 1.00 0.00 O ATOM 2986 CB THR D 25 8.855 -10.021 4.587 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.299 -10.657 5.772 1.00 0.00 O ATOM 2988 CG2 THR D 25 7.881 -10.955 3.902 1.00 0.00 C ATOM 0 H THR D 25 10.501 -8.339 5.305 1.00 0.00 H new ATOM 0 HA THR D 25 10.653 -10.502 3.503 1.00 0.00 H new ATOM 0 HB THR D 25 8.337 -9.087 4.807 1.00 0.00 H new ATOM 0 HG1 THR D 25 8.542 -10.774 6.384 1.00 0.00 H new ATOM 0 HG21 THR D 25 7.066 -11.195 4.584 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.479 -10.472 3.011 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.396 -11.872 3.616 1.00 0.00 H new ATOM 2996 N PHE D 26 9.177 -7.788 2.392 1.00 0.00 N ATOM 2997 CA PHE D 26 8.692 -7.123 1.189 1.00 0.00 C ATOM 2998 C PHE D 26 9.812 -6.983 0.160 1.00 0.00 C ATOM 2999 O PHE D 26 9.612 -7.211 -1.032 1.00 0.00 O ATOM 3000 CB PHE D 26 8.122 -5.747 1.531 1.00 0.00 C ATOM 3001 CG PHE D 26 7.187 -5.214 0.484 1.00 0.00 C ATOM 3002 CD1 PHE D 26 5.885 -5.677 0.402 1.00 0.00 C ATOM 3003 CD2 PHE D 26 7.610 -4.250 -0.418 1.00 0.00 C ATOM 3004 CE1 PHE D 26 5.020 -5.192 -0.560 1.00 0.00 C ATOM 3005 CE2 PHE D 26 6.749 -3.761 -1.382 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.453 -4.232 -1.453 1.00 0.00 C ATOM 0 H PHE D 26 9.203 -7.194 3.221 1.00 0.00 H new ATOM 0 HA PHE D 26 7.899 -7.736 0.760 1.00 0.00 H new ATOM 0 HB2 PHE D 26 7.594 -5.806 2.483 1.00 0.00 H new ATOM 0 HB3 PHE D 26 8.944 -5.044 1.666 1.00 0.00 H new ATOM 0 HD1 PHE D 26 5.541 -6.427 1.099 1.00 0.00 H new ATOM 0 HD2 PHE D 26 8.622 -3.877 -0.367 1.00 0.00 H new ATOM 0 HE1 PHE D 26 4.007 -5.563 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE D 26 7.090 -3.010 -2.080 1.00 0.00 H new ATOM 0 HZ PHE D 26 4.779 -3.850 -2.206 1.00 0.00 H new ATOM 3016 N GLU D 27 10.987 -6.587 0.637 1.00 0.00 N ATOM 3017 CA GLU D 27 12.152 -6.389 -0.221 1.00 0.00 C ATOM 3018 C GLU D 27 12.531 -7.657 -0.986 1.00 0.00 C ATOM 3019 O GLU D 27 12.677 -7.633 -2.207 1.00 0.00 O ATOM 3020 CB GLU D 27 13.342 -5.921 0.620 1.00 0.00 C ATOM 3021 CG GLU D 27 14.585 -5.615 -0.198 1.00 0.00 C ATOM 3022 CD GLU D 27 15.840 -6.221 0.400 1.00 0.00 C ATOM 3023 OE1 GLU D 27 16.163 -5.892 1.561 1.00 0.00 O ATOM 3024 OE2 GLU D 27 16.501 -7.023 -0.293 1.00 0.00 O ATOM 0 H GLU D 27 11.160 -6.395 1.624 1.00 0.00 H new ATOM 0 HA GLU D 27 11.889 -5.628 -0.956 1.00 0.00 H new ATOM 0 HB2 GLU D 27 13.054 -5.028 1.175 1.00 0.00 H new ATOM 0 HB3 GLU D 27 13.581 -6.690 1.354 1.00 0.00 H new ATOM 0 HG2 GLU D 27 14.451 -5.993 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU D 27 14.708 -4.535 -0.274 1.00 0.00 H new ATOM 3031 N LYS D 28 12.723 -8.751 -0.260 1.00 0.00 N ATOM 3032 CA LYS D 28 13.128 -10.016 -0.872 1.00 0.00 C ATOM 3033 C LYS D 28 12.033 -10.625 -1.746 1.00 0.00 C ATOM 3034 O LYS D 28 12.303 -11.060 -2.866 1.00 0.00 O ATOM 3035 CB LYS D 28 13.536 -11.017 0.210 1.00 0.00 C ATOM 3036 CG LYS D 28 14.351 -12.185 -0.322 1.00 0.00 C ATOM 3037 CD LYS D 28 14.794 -13.114 0.798 1.00 0.00 C ATOM 3038 CE LYS D 28 15.957 -12.528 1.581 1.00 0.00 C ATOM 3039 NZ LYS D 28 16.728 -13.579 2.300 1.00 0.00 N ATOM 0 H LYS D 28 12.606 -8.791 0.752 1.00 0.00 H new ATOM 0 HA LYS D 28 13.977 -9.796 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS D 28 14.115 -10.498 0.974 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.639 -11.401 0.696 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.758 -12.744 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS D 28 15.226 -11.808 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS D 28 13.957 -13.299 1.471 1.00 0.00 H new ATOM 0 HD3 LYS D 28 15.085 -14.077 0.379 1.00 0.00 H new ATOM 0 HE2 LYS D 28 16.620 -11.993 0.901 1.00 0.00 H new ATOM 0 HE3 LYS D 28 15.581 -11.799 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 17.512 -13.138 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 16.102 -14.073 2.968 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 17.109 -14.261 1.613 1.00 0.00 H new ATOM 3053 N VAL D 29 10.805 -10.669 -1.240 1.00 0.00 N ATOM 3054 CA VAL D 29 9.693 -11.242 -1.993 1.00 0.00 C ATOM 3055 C VAL D 29 9.395 -10.464 -3.270 1.00 0.00 C ATOM 3056 O VAL D 29 9.146 -11.053 -4.321 1.00 0.00 O ATOM 3057 CB VAL D 29 8.410 -11.302 -1.141 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.266 -11.927 -1.930 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.661 -12.070 0.148 1.00 0.00 C ATOM 0 H VAL D 29 10.554 -10.317 -0.316 1.00 0.00 H new ATOM 0 HA VAL D 29 10.004 -12.251 -2.263 1.00 0.00 H new ATOM 0 HB VAL D 29 8.123 -10.283 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.371 -11.959 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL D 29 7.069 -11.330 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.539 -12.940 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.744 -12.102 0.737 1.00 0.00 H new ATOM 0 HG22 VAL D 29 8.976 -13.086 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.443 -11.573 0.721 1.00 0.00 H new ATOM 3069 N VAL D 30 9.401 -9.140 -3.170 1.00 0.00 N ATOM 3070 CA VAL D 30 9.107 -8.291 -4.318 1.00 0.00 C ATOM 3071 C VAL D 30 10.237 -8.285 -5.340 1.00 0.00 C ATOM 3072 O VAL D 30 9.985 -8.372 -6.542 1.00 0.00 O ATOM 3073 CB VAL D 30 8.792 -6.844 -3.891 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.424 -5.992 -5.099 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.669 -6.827 -2.865 1.00 0.00 C ATOM 0 H VAL D 30 9.605 -8.633 -2.309 1.00 0.00 H new ATOM 0 HA VAL D 30 8.223 -8.722 -4.789 1.00 0.00 H new ATOM 0 HB VAL D 30 9.686 -6.419 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL D 30 8.206 -4.975 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL D 30 9.257 -5.977 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.545 -6.413 -5.587 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.458 -5.798 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.773 -7.272 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL D 30 7.970 -7.399 -1.987 1.00 0.00 H new ATOM 3085 N LYS D 31 11.479 -8.183 -4.880 1.00 0.00 N ATOM 3086 CA LYS D 31 12.617 -8.166 -5.789 1.00 0.00 C ATOM 3087 C LYS D 31 12.725 -9.484 -6.546 1.00 0.00 C ATOM 3088 O LYS D 31 12.906 -9.502 -7.762 1.00 0.00 O ATOM 3089 CB LYS D 31 13.907 -7.910 -5.005 1.00 0.00 C ATOM 3090 CG LYS D 31 15.141 -7.769 -5.882 1.00 0.00 C ATOM 3091 CD LYS D 31 16.207 -6.917 -5.210 1.00 0.00 C ATOM 3092 CE LYS D 31 15.928 -5.433 -5.386 1.00 0.00 C ATOM 3093 NZ LYS D 31 17.170 -4.617 -5.281 1.00 0.00 N ATOM 0 H LYS D 31 11.721 -8.111 -3.892 1.00 0.00 H new ATOM 0 HA LYS D 31 12.468 -7.364 -6.512 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.787 -7.002 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS D 31 14.063 -8.729 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS D 31 15.548 -8.756 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS D 31 14.862 -7.320 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS D 31 16.249 -7.157 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS D 31 17.184 -7.157 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS D 31 15.464 -5.264 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS D 31 15.214 -5.106 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 17.084 -3.954 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 17.985 -5.244 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 17.310 -4.082 -6.162 1.00 0.00 H new ATOM 3107 N GLN D 32 12.603 -10.586 -5.819 1.00 0.00 N ATOM 3108 CA GLN D 32 12.681 -11.908 -6.420 1.00 0.00 C ATOM 3109 C GLN D 32 11.533 -12.145 -7.397 1.00 0.00 C ATOM 3110 O GLN D 32 11.742 -12.654 -8.498 1.00 0.00 O ATOM 3111 CB GLN D 32 12.674 -12.987 -5.334 1.00 0.00 C ATOM 3112 CG GLN D 32 12.913 -14.389 -5.869 1.00 0.00 C ATOM 3113 CD GLN D 32 14.328 -14.584 -6.383 1.00 0.00 C ATOM 3114 OE1 GLN D 32 15.261 -13.917 -5.935 1.00 0.00 O ATOM 3115 NE2 GLN D 32 14.493 -15.500 -7.330 1.00 0.00 N ATOM 0 H GLN D 32 12.449 -10.589 -4.811 1.00 0.00 H new ATOM 0 HA GLN D 32 13.616 -11.964 -6.977 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.441 -12.753 -4.596 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.715 -12.963 -4.816 1.00 0.00 H new ATOM 0 HG2 GLN D 32 12.714 -15.114 -5.080 1.00 0.00 H new ATOM 0 HG3 GLN D 32 12.207 -14.592 -6.674 1.00 0.00 H new ATOM 0 HE21 GLN D 32 13.691 -16.030 -7.672 1.00 0.00 H new ATOM 0 HE22 GLN D 32 15.421 -15.674 -7.715 1.00 0.00 H new ATOM 3124 N PHE D 33 10.319 -11.771 -6.994 1.00 0.00 N ATOM 3125 CA PHE D 33 9.136 -11.936 -7.832 1.00 0.00 C ATOM 3126 C PHE D 33 9.152 -11.032 -9.065 1.00 0.00 C ATOM 3127 O PHE D 33 8.886 -11.490 -10.177 1.00 0.00 O ATOM 3128 CB PHE D 33 7.886 -11.712 -6.966 1.00 0.00 C ATOM 3129 CG PHE D 33 6.641 -11.319 -7.711 1.00 0.00 C ATOM 3130 CD1 PHE D 33 6.104 -12.120 -8.706 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.991 -10.141 -7.380 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.946 -11.745 -9.365 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.835 -9.762 -8.033 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.311 -10.562 -9.026 1.00 0.00 C ATOM 0 H PHE D 33 10.130 -11.349 -6.085 1.00 0.00 H new ATOM 0 HA PHE D 33 9.126 -12.952 -8.228 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.682 -12.628 -6.411 1.00 0.00 H new ATOM 0 HB3 PHE D 33 8.108 -10.937 -6.232 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.594 -13.046 -8.970 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.394 -9.511 -6.601 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.538 -12.374 -10.142 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.341 -8.839 -7.766 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.407 -10.267 -9.538 1.00 0.00 H new ATOM 3144 N PHE D 34 9.453 -9.752 -8.873 1.00 0.00 N ATOM 3145 CA PHE D 34 9.483 -8.809 -9.987 1.00 0.00 C ATOM 3146 C PHE D 34 10.715 -8.991 -10.878 1.00 0.00 C ATOM 3147 O PHE D 34 10.638 -8.790 -12.089 1.00 0.00 O ATOM 3148 CB PHE D 34 9.352 -7.374 -9.479 1.00 0.00 C ATOM 3149 CG PHE D 34 7.921 -7.017 -9.194 1.00 0.00 C ATOM 3150 CD1 PHE D 34 7.339 -7.330 -7.975 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.145 -6.399 -10.162 1.00 0.00 C ATOM 3152 CE1 PHE D 34 6.010 -7.035 -7.730 1.00 0.00 C ATOM 3153 CE2 PHE D 34 5.819 -6.096 -9.920 1.00 0.00 C ATOM 3154 CZ PHE D 34 5.249 -6.416 -8.704 1.00 0.00 C ATOM 0 H PHE D 34 9.678 -9.345 -7.965 1.00 0.00 H new ATOM 0 HA PHE D 34 8.622 -9.024 -10.620 1.00 0.00 H new ATOM 0 HB2 PHE D 34 9.945 -7.253 -8.573 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.758 -6.686 -10.221 1.00 0.00 H new ATOM 0 HD1 PHE D 34 7.930 -7.809 -7.208 1.00 0.00 H new ATOM 0 HD2 PHE D 34 7.583 -6.151 -11.118 1.00 0.00 H new ATOM 0 HE1 PHE D 34 5.567 -7.288 -6.778 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.228 -5.609 -10.682 1.00 0.00 H new ATOM 0 HZ PHE D 34 4.212 -6.183 -8.514 1.00 0.00 H new ATOM 3164 N ASN D 35 11.841 -9.391 -10.294 1.00 0.00 N ATOM 3165 CA ASN D 35 13.056 -9.615 -11.081 1.00 0.00 C ATOM 3166 C ASN D 35 12.803 -10.639 -12.189 1.00 0.00 C ATOM 3167 O ASN D 35 13.417 -10.585 -13.255 1.00 0.00 O ATOM 3168 CB ASN D 35 14.216 -10.078 -10.190 1.00 0.00 C ATOM 3169 CG ASN D 35 14.920 -8.932 -9.479 1.00 0.00 C ATOM 3170 OD1 ASN D 35 14.200 -7.848 -9.210 1.00 0.00 O flip ATOM 3171 ND2 ASN D 35 16.110 -9.021 -9.176 1.00 0.00 N flip ATOM 0 H ASN D 35 11.941 -9.565 -9.294 1.00 0.00 H new ATOM 0 HA ASN D 35 13.333 -8.665 -11.538 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.837 -10.780 -9.447 1.00 0.00 H new ATOM 0 HB3 ASN D 35 14.940 -10.619 -10.799 1.00 0.00 H new ATOM 0 HD21 ASN D 35 16.631 -9.869 -9.399 1.00 0.00 H new ATOM 0 HD22 ASN D 35 16.575 -8.247 -8.702 1.00 0.00 H new ATOM 3178 N ASP D 36 11.887 -11.565 -11.922 1.00 0.00 N ATOM 3179 CA ASP D 36 11.528 -12.607 -12.880 1.00 0.00 C ATOM 3180 C ASP D 36 10.944 -12.023 -14.168 1.00 0.00 C ATOM 3181 O ASP D 36 10.891 -12.699 -15.195 1.00 0.00 O ATOM 3182 CB ASP D 36 10.526 -13.578 -12.251 1.00 0.00 C ATOM 3183 CG ASP D 36 11.160 -14.455 -11.191 1.00 0.00 C ATOM 3184 OD1 ASP D 36 12.321 -14.877 -11.385 1.00 0.00 O ATOM 3185 OD2 ASP D 36 10.498 -14.722 -10.166 1.00 0.00 O ATOM 0 H ASP D 36 11.375 -11.615 -11.041 1.00 0.00 H new ATOM 0 HA ASP D 36 12.442 -13.140 -13.140 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.706 -13.013 -11.808 1.00 0.00 H new ATOM 0 HB3 ASP D 36 10.096 -14.207 -13.030 1.00 0.00 H new ATOM 3190 N ASN D 37 10.499 -10.769 -14.108 1.00 0.00 N ATOM 3191 CA ASN D 37 9.914 -10.116 -15.278 1.00 0.00 C ATOM 3192 C ASN D 37 10.860 -9.084 -15.890 1.00 0.00 C ATOM 3193 O ASN D 37 10.736 -8.749 -17.068 1.00 0.00 O ATOM 3194 CB ASN D 37 8.576 -9.467 -14.925 1.00 0.00 C ATOM 3195 CG ASN D 37 8.720 -8.319 -13.950 1.00 0.00 C ATOM 3196 OD1 ASN D 37 9.414 -7.340 -14.223 1.00 0.00 O ATOM 3197 ND2 ASN D 37 8.062 -8.433 -12.804 1.00 0.00 N ATOM 0 H ASN D 37 10.532 -10.189 -13.270 1.00 0.00 H new ATOM 0 HA ASN D 37 9.743 -10.891 -16.026 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.101 -9.106 -15.837 1.00 0.00 H new ATOM 0 HB3 ASN D 37 7.914 -10.220 -14.497 1.00 0.00 H new ATOM 0 HD21 ASN D 37 8.120 -7.691 -12.107 1.00 0.00 H new ATOM 0 HD22 ASN D 37 7.498 -9.263 -12.620 1.00 0.00 H new ATOM 3204 N GLY D 38 11.813 -8.589 -15.103 1.00 0.00 N ATOM 3205 CA GLY D 38 12.760 -7.616 -15.626 1.00 0.00 C ATOM 3206 C GLY D 38 12.942 -6.395 -14.740 1.00 0.00 C ATOM 3207 O GLY D 38 13.515 -5.395 -15.174 1.00 0.00 O ATOM 0 H GLY D 38 11.946 -8.840 -14.123 1.00 0.00 H new ATOM 0 HA2 GLY D 38 13.727 -8.101 -15.762 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.425 -7.291 -16.611 1.00 0.00 H new ATOM 3211 N VAL D 39 12.468 -6.464 -13.500 1.00 0.00 N ATOM 3212 CA VAL D 39 12.604 -5.343 -12.576 1.00 0.00 C ATOM 3213 C VAL D 39 13.914 -5.434 -11.801 1.00 0.00 C ATOM 3214 O VAL D 39 14.359 -6.525 -11.444 1.00 0.00 O ATOM 3215 CB VAL D 39 11.434 -5.282 -11.575 1.00 0.00 C ATOM 3216 CG1 VAL D 39 11.514 -4.013 -10.737 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.104 -5.364 -12.306 1.00 0.00 C ATOM 0 H VAL D 39 11.990 -7.278 -13.114 1.00 0.00 H new ATOM 0 HA VAL D 39 12.596 -4.436 -13.180 1.00 0.00 H new ATOM 0 HB VAL D 39 11.507 -6.138 -10.904 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.680 -3.987 -10.036 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.453 -4.001 -10.184 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.466 -3.142 -11.390 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.289 -5.320 -11.584 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.019 -4.529 -13.001 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.049 -6.302 -12.858 1.00 0.00 H new ATOM 3227 N ASP D 40 14.532 -4.284 -11.544 1.00 0.00 N ATOM 3228 CA ASP D 40 15.792 -4.247 -10.813 1.00 0.00 C ATOM 3229 C ASP D 40 16.022 -2.879 -10.178 1.00 0.00 C ATOM 3230 O ASP D 40 15.195 -1.976 -10.300 1.00 0.00 O ATOM 3231 CB ASP D 40 16.957 -4.588 -11.746 1.00 0.00 C ATOM 3232 CG ASP D 40 17.096 -6.079 -11.978 1.00 0.00 C ATOM 3233 OD1 ASP D 40 16.476 -6.593 -12.933 1.00 0.00 O ATOM 3234 OD2 ASP D 40 17.826 -6.735 -11.204 1.00 0.00 O ATOM 0 H ASP D 40 14.181 -3.370 -11.830 1.00 0.00 H new ATOM 0 HA ASP D 40 15.738 -4.990 -10.017 1.00 0.00 H new ATOM 0 HB2 ASP D 40 16.811 -4.087 -12.703 1.00 0.00 H new ATOM 0 HB3 ASP D 40 17.884 -4.201 -11.322 1.00 0.00 H new ATOM 3239 N GLY D 41 17.155 -2.737 -9.500 1.00 0.00 N ATOM 3240 CA GLY D 41 17.486 -1.481 -8.851 1.00 0.00 C ATOM 3241 C GLY D 41 17.630 -1.628 -7.348 1.00 0.00 C ATOM 3242 O GLY D 41 18.104 -2.655 -6.862 1.00 0.00 O ATOM 0 H GLY D 41 17.853 -3.472 -9.388 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.417 -1.094 -9.266 1.00 0.00 H new ATOM 0 HA3 GLY D 41 16.710 -0.747 -9.069 1.00 0.00 H new ATOM 3246 N GLU D 42 17.225 -0.599 -6.609 1.00 0.00 N ATOM 3247 CA GLU D 42 17.320 -0.624 -5.153 1.00 0.00 C ATOM 3248 C GLU D 42 16.184 0.171 -4.518 1.00 0.00 C ATOM 3249 O GLU D 42 15.630 1.082 -5.131 1.00 0.00 O ATOM 3250 CB GLU D 42 18.667 -0.059 -4.699 1.00 0.00 C ATOM 3251 CG GLU D 42 19.860 -0.868 -5.181 1.00 0.00 C ATOM 3252 CD GLU D 42 21.104 -0.620 -4.351 1.00 0.00 C ATOM 3253 OE1 GLU D 42 21.051 -0.837 -3.121 1.00 0.00 O ATOM 3254 OE2 GLU D 42 22.132 -0.209 -4.930 1.00 0.00 O ATOM 0 H GLU D 42 16.829 0.259 -6.993 1.00 0.00 H new ATOM 0 HA GLU D 42 17.239 -1.661 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU D 42 18.763 0.965 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU D 42 18.685 -0.015 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU D 42 19.612 -1.929 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU D 42 20.066 -0.620 -6.222 1.00 0.00 H new ATOM 3261 N TRP D 43 15.846 -0.183 -3.283 1.00 0.00 N ATOM 3262 CA TRP D 43 14.779 0.496 -2.559 1.00 0.00 C ATOM 3263 C TRP D 43 15.220 1.872 -2.095 1.00 0.00 C ATOM 3264 O TRP D 43 16.162 2.008 -1.314 1.00 0.00 O ATOM 3265 CB TRP D 43 14.329 -0.346 -1.365 1.00 0.00 C ATOM 3266 CG TRP D 43 13.710 -1.647 -1.769 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.358 -2.826 -2.000 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.319 -1.901 -1.999 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.455 -3.798 -2.359 1.00 0.00 N ATOM 3270 CE2 TRP D 43 12.197 -3.254 -2.365 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.166 -1.114 -1.931 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 10.968 -3.838 -2.661 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 9.946 -1.695 -2.225 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.856 -3.046 -2.586 1.00 0.00 C ATOM 0 H TRP D 43 16.296 -0.936 -2.763 1.00 0.00 H new ATOM 0 HA TRP D 43 13.938 0.623 -3.240 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.187 -0.542 -0.721 1.00 0.00 H new ATOM 0 HB3 TRP D 43 13.611 0.224 -0.775 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.424 -2.973 -1.913 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.684 -4.766 -2.584 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.227 -0.072 -1.654 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.896 -4.879 -2.940 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.048 -1.098 -2.176 1.00 0.00 H new ATOM 0 HH2 TRP D 43 8.888 -3.470 -2.810 1.00 0.00 H new ATOM 3285 N THR D 44 14.525 2.892 -2.581 1.00 0.00 N ATOM 3286 CA THR D 44 14.833 4.264 -2.220 1.00 0.00 C ATOM 3287 C THR D 44 13.732 4.842 -1.344 1.00 0.00 C ATOM 3288 O THR D 44 12.548 4.589 -1.564 1.00 0.00 O ATOM 3289 CB THR D 44 15.008 5.119 -3.476 1.00 0.00 C ATOM 3290 OG1 THR D 44 13.805 5.168 -4.220 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.099 4.615 -4.396 1.00 0.00 C ATOM 0 H THR D 44 13.743 2.792 -3.228 1.00 0.00 H new ATOM 0 HA THR D 44 15.767 4.271 -1.658 1.00 0.00 H new ATOM 0 HB THR D 44 15.289 6.109 -3.116 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.117 4.639 -3.765 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.170 5.267 -5.267 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.051 4.614 -3.865 1.00 0.00 H new ATOM 0 HG23 THR D 44 15.863 3.601 -4.720 1.00 0.00 H new ATOM 3299 N TYR D 45 14.134 5.630 -0.361 1.00 0.00 N ATOM 3300 CA TYR D 45 13.185 6.262 0.546 1.00 0.00 C ATOM 3301 C TYR D 45 12.395 7.346 -0.178 1.00 0.00 C ATOM 3302 O TYR D 45 12.940 8.073 -1.009 1.00 0.00 O ATOM 3303 CB TYR D 45 13.909 6.853 1.758 1.00 0.00 C ATOM 3304 CG TYR D 45 14.246 5.828 2.820 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.299 5.442 3.761 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.505 5.245 2.879 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.599 4.506 4.732 1.00 0.00 C ATOM 3308 CE2 TYR D 45 15.812 4.307 3.848 1.00 0.00 C ATOM 3309 CZ TYR D 45 14.856 3.942 4.772 1.00 0.00 C ATOM 3310 OH TYR D 45 15.158 3.009 5.737 1.00 0.00 O ATOM 0 H TYR D 45 15.112 5.849 -0.169 1.00 0.00 H new ATOM 0 HA TYR D 45 12.489 5.500 0.897 1.00 0.00 H new ATOM 0 HB2 TYR D 45 14.828 7.333 1.423 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.286 7.631 2.200 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.313 5.881 3.733 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.256 5.529 2.157 1.00 0.00 H new ATOM 0 HE1 TYR D 45 12.852 4.218 5.457 1.00 0.00 H new ATOM 0 HE2 TYR D 45 16.796 3.863 3.881 1.00 0.00 H new ATOM 0 HH TYR D 45 16.085 2.710 5.625 1.00 0.00 H new ATOM 3320 N ASP D 46 11.107 7.444 0.133 1.00 0.00 N ATOM 3321 CA ASP D 46 10.244 8.433 -0.500 1.00 0.00 C ATOM 3322 C ASP D 46 10.578 9.840 -0.015 1.00 0.00 C ATOM 3323 O ASP D 46 11.206 10.015 1.029 1.00 0.00 O ATOM 3324 CB ASP D 46 8.776 8.124 -0.205 1.00 0.00 C ATOM 3325 CG ASP D 46 8.383 6.720 -0.619 1.00 0.00 C ATOM 3326 OD1 ASP D 46 9.183 5.788 -0.391 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.276 6.551 -1.171 1.00 0.00 O ATOM 0 H ASP D 46 10.639 6.851 0.819 1.00 0.00 H new ATOM 0 HA ASP D 46 10.414 8.386 -1.576 1.00 0.00 H new ATOM 0 HB2 ASP D 46 8.589 8.251 0.861 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.145 8.843 -0.727 1.00 0.00 H new ATOM 3332 N ASP D 47 10.154 10.841 -0.780 1.00 0.00 N ATOM 3333 CA ASP D 47 10.410 12.232 -0.429 1.00 0.00 C ATOM 3334 C ASP D 47 9.672 12.607 0.852 1.00 0.00 C ATOM 3335 O ASP D 47 8.466 12.394 0.971 1.00 0.00 O ATOM 3336 CB ASP D 47 9.978 13.157 -1.569 1.00 0.00 C ATOM 3337 CG ASP D 47 10.833 12.983 -2.810 1.00 0.00 C ATOM 3338 OD1 ASP D 47 12.020 13.369 -2.772 1.00 0.00 O ATOM 3339 OD2 ASP D 47 10.314 12.462 -3.819 1.00 0.00 O ATOM 0 H ASP D 47 9.632 10.714 -1.647 1.00 0.00 H new ATOM 0 HA ASP D 47 11.481 12.350 -0.263 1.00 0.00 H new ATOM 0 HB2 ASP D 47 8.936 12.959 -1.819 1.00 0.00 H new ATOM 0 HB3 ASP D 47 10.035 14.193 -1.234 1.00 0.00 H new ATOM 3344 N ALA D 48 10.410 13.154 1.812 1.00 0.00 N ATOM 3345 CA ALA D 48 9.834 13.548 3.093 1.00 0.00 C ATOM 3346 C ALA D 48 8.660 14.505 2.915 1.00 0.00 C ATOM 3347 O ALA D 48 8.663 15.356 2.025 1.00 0.00 O ATOM 3348 CB ALA D 48 10.900 14.181 3.974 1.00 0.00 C ATOM 0 H ALA D 48 11.410 13.335 1.727 1.00 0.00 H new ATOM 0 HA ALA D 48 9.455 12.648 3.577 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.459 14.471 4.928 1.00 0.00 H new ATOM 0 HB2 ALA D 48 11.701 13.463 4.149 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.305 15.063 3.478 1.00 0.00 H new ATOM 3354 N THR D 49 7.661 14.358 3.779 1.00 0.00 N ATOM 3355 CA THR D 49 6.472 15.201 3.739 1.00 0.00 C ATOM 3356 C THR D 49 6.021 15.547 5.155 1.00 0.00 C ATOM 3357 O THR D 49 6.331 14.828 6.104 1.00 0.00 O ATOM 3358 CB THR D 49 5.342 14.499 2.985 1.00 0.00 C ATOM 3359 OG1 THR D 49 5.828 13.903 1.796 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.210 15.429 2.603 1.00 0.00 C ATOM 0 H THR D 49 7.652 13.658 4.520 1.00 0.00 H new ATOM 0 HA THR D 49 6.721 16.123 3.213 1.00 0.00 H new ATOM 0 HB THR D 49 4.957 13.748 3.675 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.091 13.458 1.328 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.442 14.868 2.071 1.00 0.00 H new ATOM 0 HG22 THR D 49 3.781 15.868 3.503 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.592 16.221 1.959 1.00 0.00 H new ATOM 3368 N LYS D 50 5.295 16.651 5.295 1.00 0.00 N ATOM 3369 CA LYS D 50 4.818 17.079 6.605 1.00 0.00 C ATOM 3370 C LYS D 50 3.297 17.189 6.632 1.00 0.00 C ATOM 3371 O LYS D 50 2.699 17.907 5.831 1.00 0.00 O ATOM 3372 CB LYS D 50 5.444 18.423 6.983 1.00 0.00 C ATOM 3373 CG LYS D 50 6.776 18.292 7.701 1.00 0.00 C ATOM 3374 CD LYS D 50 7.392 19.651 7.989 1.00 0.00 C ATOM 3375 CE LYS D 50 8.452 20.010 6.961 1.00 0.00 C ATOM 3376 NZ LYS D 50 9.510 20.887 7.536 1.00 0.00 N ATOM 0 H LYS D 50 5.026 17.262 4.524 1.00 0.00 H new ATOM 0 HA LYS D 50 5.118 16.325 7.332 1.00 0.00 H new ATOM 0 HB2 LYS D 50 5.584 19.016 6.079 1.00 0.00 H new ATOM 0 HB3 LYS D 50 4.750 18.972 7.620 1.00 0.00 H new ATOM 0 HG2 LYS D 50 6.634 17.751 8.636 1.00 0.00 H new ATOM 0 HG3 LYS D 50 7.462 17.703 7.092 1.00 0.00 H new ATOM 0 HD2 LYS D 50 6.612 20.412 7.990 1.00 0.00 H new ATOM 0 HD3 LYS D 50 7.836 19.647 8.985 1.00 0.00 H new ATOM 0 HE2 LYS D 50 8.907 19.098 6.575 1.00 0.00 H new ATOM 0 HE3 LYS D 50 7.982 20.514 6.116 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 10.213 21.109 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 9.080 21.769 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 9.976 20.397 8.326 1.00 0.00 H new ATOM 3390 N THR D 51 2.682 16.473 7.568 1.00 0.00 N ATOM 3391 CA THR D 51 1.232 16.484 7.719 1.00 0.00 C ATOM 3392 C THR D 51 0.831 17.271 8.967 1.00 0.00 C ATOM 3393 O THR D 51 1.376 17.053 10.048 1.00 0.00 O ATOM 3394 CB THR D 51 0.702 15.047 7.795 1.00 0.00 C ATOM 3395 OG1 THR D 51 0.920 14.373 6.569 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.777 14.961 8.105 1.00 0.00 C ATOM 0 H THR D 51 3.169 15.875 8.236 1.00 0.00 H new ATOM 0 HA THR D 51 0.791 16.974 6.851 1.00 0.00 H new ATOM 0 HB THR D 51 1.252 14.582 8.613 1.00 0.00 H new ATOM 0 HG1 THR D 51 0.578 13.457 6.634 1.00 0.00 H new ATOM 0 HG21 THR D 51 -1.081 13.915 8.143 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.975 15.431 9.068 1.00 0.00 H new ATOM 0 HG23 THR D 51 -1.342 15.475 7.327 1.00 0.00 H new ATOM 3404 N PHE D 52 -0.122 18.187 8.810 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.593 19.003 9.926 1.00 0.00 C ATOM 3406 C PHE D 52 -1.593 18.241 10.789 1.00 0.00 C ATOM 3407 O PHE D 52 -2.655 17.839 10.315 1.00 0.00 O ATOM 3408 CB PHE D 52 -1.230 20.296 9.414 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.561 21.277 10.502 1.00 0.00 C ATOM 3410 CD1 PHE D 52 -0.599 22.152 10.981 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.836 21.327 11.046 1.00 0.00 C ATOM 3412 CE1 PHE D 52 -0.901 23.058 11.980 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -3.144 22.229 12.045 1.00 0.00 C ATOM 3414 CZ PHE D 52 -2.176 23.096 12.514 1.00 0.00 C ATOM 0 H PHE D 52 -0.583 18.383 7.921 1.00 0.00 H new ATOM 0 HA PHE D 52 0.273 19.249 10.541 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.551 20.769 8.704 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -2.141 20.051 8.868 1.00 0.00 H new ATOM 0 HD1 PHE D 52 0.399 22.126 10.569 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.597 20.652 10.684 1.00 0.00 H new ATOM 0 HE1 PHE D 52 -0.142 23.735 12.343 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -4.141 22.257 12.459 1.00 0.00 H new ATOM 0 HZ PHE D 52 -2.415 23.802 13.296 1.00 0.00 H new ATOM 3424 N THR D 53 -1.254 18.058 12.060 1.00 0.00 N ATOM 3425 CA THR D 53 -2.133 17.358 12.989 1.00 0.00 C ATOM 3426 C THR D 53 -3.000 18.354 13.754 1.00 0.00 C ATOM 3427 O THR D 53 -2.487 19.270 14.396 1.00 0.00 O ATOM 3428 CB THR D 53 -1.312 16.517 13.970 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.514 15.575 13.275 1.00 0.00 O ATOM 3430 CG2 THR D 53 -2.162 15.755 14.963 1.00 0.00 C ATOM 0 H THR D 53 -0.379 18.384 12.470 1.00 0.00 H new ATOM 0 HA THR D 53 -2.781 16.696 12.416 1.00 0.00 H new ATOM 0 HB THR D 53 -0.696 17.230 14.517 1.00 0.00 H new ATOM 0 HG1 THR D 53 0.132 16.048 12.710 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.517 15.180 15.628 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.754 16.457 15.549 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.828 15.078 14.428 1.00 0.00 H new ATOM 3438 N VAL D 54 -4.315 18.175 13.679 1.00 0.00 N ATOM 3439 CA VAL D 54 -5.242 19.069 14.364 1.00 0.00 C ATOM 3440 C VAL D 54 -5.189 18.865 15.872 1.00 0.00 C ATOM 3441 O VAL D 54 -4.804 17.799 16.354 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.693 18.865 13.888 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.571 20.018 14.350 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.749 18.716 12.375 1.00 0.00 C ATOM 0 H VAL D 54 -4.761 17.423 13.154 1.00 0.00 H new ATOM 0 HA VAL D 54 -4.929 20.084 14.120 1.00 0.00 H new ATOM 0 HB VAL D 54 -7.074 17.945 14.331 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.593 19.858 14.005 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.559 20.071 15.439 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -7.191 20.953 13.938 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.783 18.573 12.062 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -6.349 19.615 11.906 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -6.156 17.853 12.072 1.00 0.00 H new ATOM 3454 N THR D 55 -5.578 19.896 16.612 1.00 0.00 N ATOM 3455 CA THR D 55 -5.577 19.839 18.068 1.00 0.00 C ATOM 3456 C THR D 55 -6.678 20.719 18.646 1.00 0.00 C ATOM 3457 O THR D 55 -7.643 20.225 19.229 1.00 0.00 O ATOM 3458 CB THR D 55 -4.218 20.277 18.614 1.00 0.00 C ATOM 3459 OG1 THR D 55 -3.176 19.511 18.035 1.00 0.00 O ATOM 3460 CG2 THR D 55 -4.105 20.145 20.116 1.00 0.00 C ATOM 0 H THR D 55 -5.899 20.784 16.226 1.00 0.00 H new ATOM 0 HA THR D 55 -5.766 18.808 18.368 1.00 0.00 H new ATOM 0 HB THR D 55 -4.127 21.331 18.352 1.00 0.00 H new ATOM 0 HG1 THR D 55 -2.339 19.680 18.517 1.00 0.00 H new ATOM 0 HG21 THR D 55 -3.116 20.473 20.437 1.00 0.00 H new ATOM 0 HG22 THR D 55 -4.865 20.764 20.594 1.00 0.00 H new ATOM 0 HG23 THR D 55 -4.253 19.104 20.402 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.523 22.024 18.479 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.500 22.984 18.979 1.00 0.00 C ATOM 3470 C GLU D 56 -7.648 22.870 20.493 1.00 0.00 C ATOM 3471 O GLU D 56 -6.951 23.616 21.213 1.00 0.00 O ATOM 3472 CB GLU D 56 -8.854 22.764 18.305 1.00 0.00 C ATOM 3473 CG GLU D 56 -8.916 23.289 16.879 1.00 0.00 C ATOM 3474 CD GLU D 56 -10.109 22.755 16.112 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -11.226 23.278 16.314 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -9.929 21.816 15.310 1.00 0.00 O ATOM 3477 OXT GLU D 56 -8.460 22.036 20.946 1.00 0.00 O ATOM 0 H GLU D 56 -5.727 22.445 17.999 1.00 0.00 H new ATOM 0 HA GLU D 56 -7.143 23.986 18.741 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -9.080 21.698 18.301 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -9.629 23.251 18.897 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -8.959 24.378 16.898 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -8.000 23.016 16.355 1.00 0.00 H new