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 -3:sc= 1.61 USER MOD Set 1.2: D 53 THR OG1 : rot 55:sc= -0.0885 USER MOD Set 2.1: B 45 TYR OH : rot 180:sc= 0.173 USER MOD Set 2.2: D 50 LYS NZ :NH3+ -109:sc= 0.178 (180deg=0) USER MOD Set 3.1: A 44 THR OG1 : rot 5:sc= 1.69 USER MOD Set 3.2: C 53 THR OG1 : rot 58:sc= -0.118 USER MOD Set 4.1: A 50 LYS NZ :NH3+ -110:sc= 0.166 (180deg=0) USER MOD Set 4.2: C 45 TYR OH : rot 180:sc= 0.159 USER MOD Set 5.1: B 49 THR OG1 : rot 180:sc= -2.55 USER MOD Set 5.2: C 2 GLN : amide:sc= -4.24 K(o=-6.8,f=-4.6) USER MOD Set 6.1: B 53 THR OG1 : rot 66:sc= -0.372 USER MOD Set 6.2: D 44 THR OG1 : rot 0:sc= 1.78 USER MOD Set 7.1: B 50 LYS NZ :NH3+ -108:sc= 0.178 (180deg=0) USER MOD Set 7.2: D 45 TYR OH : rot 180:sc= 0.167 USER MOD Set 8.1: B 2 GLN : amide:sc= -4.28 K(o=-6.9,f=-4.8) USER MOD Set 8.2: C 49 THR OG1 : rot 180:sc= -2.6 USER MOD Set 9.1: A 53 THR OG1 : rot 57:sc= -0.0913 USER MOD Set 9.2: C 44 THR OG1 : rot 11:sc= 1.72 USER MOD Set10.1: A 49 THR OG1 : rot 180:sc= -2.52 USER MOD Set10.2: D 2 GLN : amide:sc= -4.32 K(o=-6.8,f=-4.7) USER MOD Set11.1: A 45 TYR OH : rot 180:sc= 0.171 USER MOD Set11.2: C 50 LYS NZ :NH3+ -109:sc= 0.178 (180deg=0) USER MOD Set12.1: A 2 GLN : amide:sc= -4.4 K(o=-7,f=-4.8) USER MOD Set12.2: D 49 THR OG1 : rot 180:sc= -2.61 USER MOD Single : A 1 MET CE :methyl -172:sc= -4.03 (180deg=-4.23) USER MOD Single : A 1 MET N :NH3+ -152:sc= 0.0214 (180deg=0) USER MOD Single : A 3 TYR OH : rot -63:sc= -1.67 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.876 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= 0.125 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.23) USER MOD Single : A 35 ASN : amide:sc= -4.28 K(o=-4.3,f=-1.8) USER MOD Single : A 37 ASN : amide:sc= -7.59! C(o=-7.6!,f=-14!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.07 USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.294 USER MOD Single : B 1 MET CE :methyl -173:sc= -4.06 (180deg=-4.22) USER MOD Single : B 1 MET N :NH3+ -151:sc= 0.0223 (180deg=0) USER MOD Single : B 3 TYR OH : rot -62:sc= -1.64 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.873 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 146:sc= 0.115 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.32) USER MOD Single : B 35 ASN : amide:sc= -4.38 K(o=-4.4,f=-1.9) USER MOD Single : B 37 ASN : amide:sc= -7.62! C(o=-7.6!,f=-14!) USER MOD Single : B 51 THR OG1 : rot 180:sc= -2.12 USER MOD Single : B 55 THR OG1 : rot -170:sc= -0.297 USER MOD Single : C 1 MET CE :methyl -169:sc= -4.03 (180deg=-4.14) USER MOD Single : C 1 MET N :NH3+ -151:sc= 0.0204 (180deg=0) USER MOD Single : C 3 TYR OH : rot -62:sc= -1.64 USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 25 THR OG1 : rot 180:sc= -0.855 USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 LYS NZ :NH3+ 146:sc= 0.113 (180deg=0) USER MOD Single : C 32 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.32) USER MOD Single : C 35 ASN : amide:sc= -4.18 K(o=-4.2,f=-1.8) USER MOD Single : C 37 ASN : amide:sc= -7.59! C(o=-7.6!,f=-15!) USER MOD Single : C 51 THR OG1 : rot 180:sc= -2.14 USER MOD Single : C 55 THR OG1 : rot -170:sc= -0.312 USER MOD Single : D 1 MET CE :methyl -178:sc= -3.89 (180deg=-3.96) USER MOD Single : D 1 MET N :NH3+ -151:sc= 0.0241 (180deg=0) USER MOD Single : D 3 TYR OH : rot -71:sc= -1.83 USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 25 THR OG1 : rot 180:sc= -0.875 USER MOD Single : D 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 31 LYS NZ :NH3+ 146:sc= 0.129 (180deg=0) USER MOD Single : D 32 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.26) USER MOD Single : D 35 ASN : amide:sc= -4.33 K(o=-4.3,f=-1.8) USER MOD Single : D 37 ASN : amide:sc= -7.56! C(o=-7.6!,f=-14!) USER MOD Single : D 51 THR OG1 : rot 180:sc= -2.07 USER MOD Single : D 55 THR OG1 : rot -170:sc= -0.262 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.425 20.210 -0.558 1.00 0.00 N ATOM 2 CA MET A 1 9.634 19.697 0.590 1.00 0.00 C ATOM 3 C MET A 1 8.164 19.545 0.219 1.00 0.00 C ATOM 4 O MET A 1 7.508 20.511 -0.168 1.00 0.00 O ATOM 5 CB MET A 1 9.792 20.669 1.762 1.00 0.00 C ATOM 6 CG MET A 1 9.937 19.981 3.111 1.00 0.00 C ATOM 7 SD MET A 1 8.355 19.732 3.937 1.00 0.00 S ATOM 8 CE MET A 1 8.163 17.960 3.772 1.00 0.00 C ATOM 0 H1 MET A 1 11.407 19.875 -0.480 1.00 0.00 H new ATOM 0 H2 MET A 1 10.011 19.865 -1.447 1.00 0.00 H new ATOM 0 H3 MET A 1 10.412 21.250 -0.551 1.00 0.00 H new ATOM 0 HA MET A 1 10.003 18.710 0.871 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.667 21.296 1.588 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.927 21.331 1.793 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.426 19.017 2.972 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.587 20.578 3.751 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.167 17.669 4.107 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.292 17.676 2.728 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.913 17.455 4.381 1.00 0.00 H new ATOM 20 N GLN A 2 7.648 18.328 0.356 1.00 0.00 N ATOM 21 CA GLN A 2 6.248 18.057 0.047 1.00 0.00 C ATOM 22 C GLN A 2 5.393 18.224 1.296 1.00 0.00 C ATOM 23 O GLN A 2 5.663 17.615 2.332 1.00 0.00 O ATOM 24 CB GLN A 2 6.079 16.651 -0.539 1.00 0.00 C ATOM 25 CG GLN A 2 6.503 15.534 0.399 1.00 0.00 C ATOM 26 CD GLN A 2 6.587 14.193 -0.306 1.00 0.00 C ATOM 27 OE1 GLN A 2 5.585 13.672 -0.796 1.00 0.00 O ATOM 28 NE2 GLN A 2 7.786 13.628 -0.363 1.00 0.00 N ATOM 0 H GLN A 2 8.176 17.516 0.678 1.00 0.00 H new ATOM 0 HA GLN A 2 5.916 18.775 -0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.034 16.505 -0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.660 16.580 -1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.473 15.775 0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.793 15.465 1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.590 14.095 0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.904 12.727 -0.826 1.00 0.00 H new ATOM 37 N TYR A 3 4.373 19.070 1.198 1.00 0.00 N ATOM 38 CA TYR A 3 3.496 19.335 2.330 1.00 0.00 C ATOM 39 C TYR A 3 2.110 18.724 2.138 1.00 0.00 C ATOM 40 O TYR A 3 1.495 18.856 1.079 1.00 0.00 O ATOM 41 CB TYR A 3 3.371 20.843 2.555 1.00 0.00 C ATOM 42 CG TYR A 3 4.543 21.441 3.301 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.557 21.485 4.689 1.00 0.00 C ATOM 44 CD2 TYR A 3 5.634 21.961 2.616 1.00 0.00 C ATOM 45 CE1 TYR A 3 5.626 22.029 5.374 1.00 0.00 C ATOM 46 CE2 TYR A 3 6.708 22.506 3.295 1.00 0.00 C ATOM 47 CZ TYR A 3 6.699 22.539 4.673 1.00 0.00 C ATOM 48 OH TYR A 3 7.765 23.082 5.352 1.00 0.00 O ATOM 0 H TYR A 3 4.135 19.582 0.349 1.00 0.00 H new ATOM 0 HA TYR A 3 3.945 18.867 3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.274 21.340 1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.455 21.045 3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.719 21.087 5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.643 21.939 1.536 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.622 22.055 6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.550 22.904 2.748 1.00 0.00 H new ATOM 0 HH TYR A 3 7.464 23.862 5.864 1.00 0.00 H new ATOM 58 N LYS A 4 1.636 18.061 3.187 1.00 0.00 N ATOM 59 CA LYS A 4 0.324 17.423 3.172 1.00 0.00 C ATOM 60 C LYS A 4 -0.666 18.213 4.024 1.00 0.00 C ATOM 61 O LYS A 4 -0.405 18.500 5.193 1.00 0.00 O ATOM 62 CB LYS A 4 0.424 15.985 3.689 1.00 0.00 C ATOM 63 CG LYS A 4 -0.523 15.021 2.993 1.00 0.00 C ATOM 64 CD LYS A 4 -0.677 13.727 3.779 1.00 0.00 C ATOM 65 CE LYS A 4 -1.720 13.863 4.878 1.00 0.00 C ATOM 66 NZ LYS A 4 -1.882 12.601 5.650 1.00 0.00 N ATOM 0 H LYS A 4 2.145 17.951 4.064 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.035 17.405 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.447 15.632 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.216 15.977 4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.498 15.492 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.148 14.799 1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.962 12.921 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.282 13.450 4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.432 14.668 5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.677 14.144 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.601 12.736 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.182 11.838 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.976 12.346 6.092 1.00 0.00 H new ATOM 80 N VAL A 5 -1.800 18.571 3.427 1.00 0.00 N ATOM 81 CA VAL A 5 -2.823 19.337 4.135 1.00 0.00 C ATOM 82 C VAL A 5 -4.228 18.880 3.758 1.00 0.00 C ATOM 83 O VAL A 5 -4.562 18.770 2.578 1.00 0.00 O ATOM 84 CB VAL A 5 -2.696 20.844 3.847 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.612 21.643 4.760 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.251 21.300 4.000 1.00 0.00 C ATOM 0 H VAL A 5 -2.033 18.345 2.460 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.662 19.158 5.198 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.002 21.023 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.507 22.706 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.646 21.338 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.341 21.459 5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.183 22.368 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.914 21.106 5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.621 20.753 3.299 1.00 0.00 H new ATOM 96 N ILE A 6 -5.050 18.619 4.771 1.00 0.00 N ATOM 97 CA ILE A 6 -6.424 18.179 4.556 1.00 0.00 C ATOM 98 C ILE A 6 -7.399 19.354 4.609 1.00 0.00 C ATOM 99 O ILE A 6 -7.466 20.068 5.608 1.00 0.00 O ATOM 100 CB ILE A 6 -6.852 17.136 5.606 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.783 16.053 5.754 1.00 0.00 C ATOM 102 CG2 ILE A 6 -8.190 16.519 5.226 1.00 0.00 C ATOM 103 CD1 ILE A 6 -6.079 15.057 6.855 1.00 0.00 C ATOM 0 H ILE A 6 -4.786 18.705 5.752 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.454 17.727 3.565 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.964 17.639 6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.685 15.519 4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.822 16.527 5.953 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.478 15.784 5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.949 17.300 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.103 16.030 4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.279 14.318 6.902 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.148 15.579 7.809 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.024 14.555 6.647 1.00 0.00 H new ATOM 115 N LEU A 7 -8.162 19.540 3.536 1.00 0.00 N ATOM 116 CA LEU A 7 -9.146 20.616 3.470 1.00 0.00 C ATOM 117 C LEU A 7 -10.465 20.086 2.917 1.00 0.00 C ATOM 118 O LEU A 7 -10.545 19.694 1.753 1.00 0.00 O ATOM 119 CB LEU A 7 -8.630 21.767 2.598 1.00 0.00 C ATOM 120 CG LEU A 7 -8.007 22.936 3.366 1.00 0.00 C ATOM 121 CD1 LEU A 7 -6.515 22.712 3.554 1.00 0.00 C ATOM 122 CD2 LEU A 7 -8.266 24.253 2.643 1.00 0.00 C ATOM 0 H LEU A 7 -8.118 18.959 2.699 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.312 20.996 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.888 21.372 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.457 22.147 1.998 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.474 22.990 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.087 23.552 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.353 21.792 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.034 22.631 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.815 25.071 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.828 24.213 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.340 24.418 2.561 1.00 0.00 H new ATOM 337 N ASP A 22 -12.415 24.601 2.598 1.00 0.00 N ATOM 338 CA ASP A 22 -12.972 24.195 1.314 1.00 0.00 C ATOM 339 C ASP A 22 -11.881 23.989 0.275 1.00 0.00 C ATOM 340 O ASP A 22 -10.891 24.718 0.235 1.00 0.00 O ATOM 341 CB ASP A 22 -13.965 25.248 0.818 1.00 0.00 C ATOM 342 CG ASP A 22 -14.698 24.810 -0.435 1.00 0.00 C ATOM 343 OD1 ASP A 22 -14.037 24.648 -1.483 1.00 0.00 O ATOM 344 OD2 ASP A 22 -15.931 24.630 -0.369 1.00 0.00 O ATOM 0 HA ASP A 22 -13.487 23.245 1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.690 25.458 1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.433 26.178 0.618 1.00 0.00 H new ATOM 349 N ALA A 23 -12.080 22.985 -0.564 1.00 0.00 N ATOM 350 CA ALA A 23 -11.133 22.658 -1.619 1.00 0.00 C ATOM 351 C ALA A 23 -10.719 23.902 -2.405 1.00 0.00 C ATOM 352 O ALA A 23 -9.538 24.105 -2.689 1.00 0.00 O ATOM 353 CB ALA A 23 -11.752 21.619 -2.535 1.00 0.00 C ATOM 0 H ALA A 23 -12.898 22.376 -0.534 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.228 22.252 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.048 21.368 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.987 20.722 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.666 22.019 -2.974 1.00 0.00 H new ATOM 359 N ALA A 24 -11.698 24.733 -2.751 1.00 0.00 N ATOM 360 CA ALA A 24 -11.441 25.960 -3.500 1.00 0.00 C ATOM 361 C ALA A 24 -10.652 26.965 -2.665 1.00 0.00 C ATOM 362 O ALA A 24 -9.909 27.786 -3.204 1.00 0.00 O ATOM 363 CB ALA A 24 -12.751 26.574 -3.970 1.00 0.00 C ATOM 0 H ALA A 24 -12.680 24.578 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.838 25.703 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.545 27.488 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.274 25.867 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.374 26.808 -3.106 1.00 0.00 H new ATOM 369 N THR A 25 -10.821 26.898 -1.348 1.00 0.00 N ATOM 370 CA THR A 25 -10.125 27.805 -0.440 1.00 0.00 C ATOM 371 C THR A 25 -8.616 27.620 -0.553 1.00 0.00 C ATOM 372 O THR A 25 -7.857 28.588 -0.554 1.00 0.00 O ATOM 373 CB THR A 25 -10.581 27.556 1.001 1.00 0.00 C ATOM 374 OG1 THR A 25 -11.968 27.811 1.139 1.00 0.00 O ATOM 375 CG2 THR A 25 -9.857 28.404 2.024 1.00 0.00 C ATOM 0 H THR A 25 -11.433 26.226 -0.886 1.00 0.00 H new ATOM 0 HA THR A 25 -10.369 28.831 -0.717 1.00 0.00 H new ATOM 0 HB THR A 25 -10.346 26.509 1.195 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.241 27.645 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.233 28.172 3.020 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.789 28.193 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.027 29.459 1.808 1.00 0.00 H new ATOM 383 N PHE A 26 -8.195 26.367 -0.667 1.00 0.00 N ATOM 384 CA PHE A 26 -6.781 26.045 -0.805 1.00 0.00 C ATOM 385 C PHE A 26 -6.236 26.551 -2.136 1.00 0.00 C ATOM 386 O PHE A 26 -5.188 27.195 -2.189 1.00 0.00 O ATOM 387 CB PHE A 26 -6.562 24.535 -0.695 1.00 0.00 C ATOM 388 CG PHE A 26 -5.148 24.161 -0.353 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.655 24.360 0.927 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.310 23.612 -1.311 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.354 24.019 1.245 1.00 0.00 C ATOM 392 CE2 PHE A 26 -3.008 23.269 -0.999 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.530 23.473 0.281 1.00 0.00 C ATOM 0 H PHE A 26 -8.814 25.556 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.243 26.542 0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.231 24.133 0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.836 24.066 -1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.295 24.787 1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.679 23.450 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.982 24.179 2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.365 22.842 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.513 23.206 0.527 1.00 0.00 H new ATOM 403 N GLU A 27 -6.952 26.239 -3.211 1.00 0.00 N ATOM 404 CA GLU A 27 -6.546 26.637 -4.557 1.00 0.00 C ATOM 405 C GLU A 27 -6.350 28.148 -4.678 1.00 0.00 C ATOM 406 O GLU A 27 -5.306 28.610 -5.136 1.00 0.00 O ATOM 407 CB GLU A 27 -7.588 26.171 -5.577 1.00 0.00 C ATOM 408 CG GLU A 27 -7.723 24.659 -5.661 1.00 0.00 C ATOM 409 CD GLU A 27 -8.626 24.216 -6.795 1.00 0.00 C ATOM 410 OE1 GLU A 27 -9.816 24.596 -6.789 1.00 0.00 O ATOM 411 OE2 GLU A 27 -8.145 23.489 -7.689 1.00 0.00 O ATOM 0 H GLU A 27 -7.822 25.708 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.587 26.161 -4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.556 26.600 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.321 26.559 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.736 24.217 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.118 24.280 -4.718 1.00 0.00 H new ATOM 418 N LYS A 28 -7.368 28.912 -4.298 1.00 0.00 N ATOM 419 CA LYS A 28 -7.314 30.368 -4.401 1.00 0.00 C ATOM 420 C LYS A 28 -6.267 30.981 -3.472 1.00 0.00 C ATOM 421 O LYS A 28 -5.457 31.803 -3.901 1.00 0.00 O ATOM 422 CB LYS A 28 -8.688 30.967 -4.097 1.00 0.00 C ATOM 423 CG LYS A 28 -8.770 32.464 -4.350 1.00 0.00 C ATOM 424 CD LYS A 28 -10.212 32.942 -4.408 1.00 0.00 C ATOM 425 CE LYS A 28 -10.769 32.864 -5.819 1.00 0.00 C ATOM 426 NZ LYS A 28 -12.255 32.767 -5.826 1.00 0.00 N ATOM 0 H LYS A 28 -8.241 28.549 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.022 30.606 -5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.438 30.463 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.939 30.769 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.241 32.997 -3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.268 32.703 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.824 32.336 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.270 33.970 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.460 33.746 -6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.346 31.998 -6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.595 32.716 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.549 31.912 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.660 33.606 -5.363 1.00 0.00 H new ATOM 440 N VAL A 29 -6.288 30.593 -2.202 1.00 0.00 N ATOM 441 CA VAL A 29 -5.339 31.125 -1.225 1.00 0.00 C ATOM 442 C VAL A 29 -3.893 30.776 -1.573 1.00 0.00 C ATOM 443 O VAL A 29 -2.997 31.606 -1.425 1.00 0.00 O ATOM 444 CB VAL A 29 -5.652 30.610 0.194 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.660 31.170 1.205 1.00 0.00 C ATOM 446 CG2 VAL A 29 -7.079 30.964 0.584 1.00 0.00 C ATOM 0 H VAL A 29 -6.949 29.914 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.450 32.209 -1.254 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.555 29.524 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.901 30.793 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.651 30.860 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.717 32.258 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.284 30.593 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.204 32.047 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.773 30.506 -0.121 1.00 0.00 H new ATOM 456 N VAL A 30 -3.667 29.544 -2.014 1.00 0.00 N ATOM 457 CA VAL A 30 -2.322 29.094 -2.355 1.00 0.00 C ATOM 458 C VAL A 30 -1.804 29.737 -3.638 1.00 0.00 C ATOM 459 O VAL A 30 -0.666 30.203 -3.680 1.00 0.00 O ATOM 460 CB VAL A 30 -2.248 27.556 -2.474 1.00 0.00 C ATOM 461 CG1 VAL A 30 -0.840 27.106 -2.839 1.00 0.00 C ATOM 462 CG2 VAL A 30 -2.695 26.906 -1.173 1.00 0.00 C ATOM 0 H VAL A 30 -4.394 28.841 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.680 29.413 -1.534 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.920 27.241 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.814 26.019 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.554 27.545 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.143 27.431 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.638 25.822 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.045 27.232 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.722 27.198 -0.955 1.00 0.00 H new ATOM 472 N LYS A 31 -2.624 29.771 -4.684 1.00 0.00 N ATOM 473 CA LYS A 31 -2.204 30.371 -5.945 1.00 0.00 C ATOM 474 C LYS A 31 -1.916 31.856 -5.765 1.00 0.00 C ATOM 475 O LYS A 31 -0.899 32.364 -6.237 1.00 0.00 O ATOM 476 CB LYS A 31 -3.285 30.177 -7.012 1.00 0.00 C ATOM 477 CG LYS A 31 -2.787 30.399 -8.431 1.00 0.00 C ATOM 478 CD LYS A 31 -3.822 29.968 -9.458 1.00 0.00 C ATOM 479 CE LYS A 31 -3.496 30.513 -10.840 1.00 0.00 C ATOM 480 NZ LYS A 31 -3.979 29.610 -11.922 1.00 0.00 N ATOM 0 H LYS A 31 -3.572 29.395 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.289 29.875 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.687 29.167 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.107 30.864 -6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.548 31.453 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.864 29.840 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.867 28.880 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.808 30.317 -9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.950 31.497 -10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.418 30.646 -10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.277 30.178 -12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.212 28.968 -12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.786 29.053 -11.575 1.00 0.00 H new ATOM 494 N GLN A 32 -2.813 32.547 -5.073 1.00 0.00 N ATOM 495 CA GLN A 32 -2.651 33.973 -4.827 1.00 0.00 C ATOM 496 C GLN A 32 -1.408 34.246 -3.985 1.00 0.00 C ATOM 497 O GLN A 32 -0.618 35.135 -4.306 1.00 0.00 O ATOM 498 CB GLN A 32 -3.889 34.543 -4.130 1.00 0.00 C ATOM 499 CG GLN A 32 -3.869 36.057 -4.003 1.00 0.00 C ATOM 500 CD GLN A 32 -3.781 36.754 -5.347 1.00 0.00 C ATOM 501 OE1 GLN A 32 -4.464 36.380 -6.299 1.00 0.00 O ATOM 502 NE2 GLN A 32 -2.933 37.774 -5.430 1.00 0.00 N ATOM 0 H GLN A 32 -3.660 32.143 -4.673 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.530 34.466 -5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.778 34.244 -4.685 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.971 34.104 -3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.770 36.386 -3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.021 36.355 -3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.386 38.050 -4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.829 38.281 -6.309 1.00 0.00 H new ATOM 511 N PHE A 33 -1.229 33.473 -2.916 1.00 0.00 N ATOM 512 CA PHE A 33 -0.076 33.624 -2.037 1.00 0.00 C ATOM 513 C PHE A 33 1.236 33.233 -2.721 1.00 0.00 C ATOM 514 O PHE A 33 2.227 33.957 -2.626 1.00 0.00 O ATOM 515 CB PHE A 33 -0.321 32.819 -0.749 1.00 0.00 C ATOM 516 CG PHE A 33 0.911 32.418 0.012 1.00 0.00 C ATOM 517 CD1 PHE A 33 1.817 33.355 0.479 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.140 31.078 0.284 1.00 0.00 C ATOM 519 CE1 PHE A 33 2.936 32.960 1.195 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.251 30.678 0.997 1.00 0.00 C ATOM 521 CZ PHE A 33 3.151 31.617 1.452 1.00 0.00 C ATOM 0 H PHE A 33 -1.873 32.732 -2.638 1.00 0.00 H new ATOM 0 HA PHE A 33 0.035 34.678 -1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.958 33.409 -0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.877 31.917 -1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.650 34.404 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.438 30.336 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.639 33.698 1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.415 29.630 1.198 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.023 31.306 2.008 1.00 0.00 H new ATOM 531 N PHE A 34 1.245 32.093 -3.403 1.00 0.00 N ATOM 532 CA PHE A 34 2.448 31.631 -4.086 1.00 0.00 C ATOM 533 C PHE A 34 2.740 32.411 -5.371 1.00 0.00 C ATOM 534 O PHE A 34 3.902 32.634 -5.707 1.00 0.00 O ATOM 535 CB PHE A 34 2.380 30.126 -4.336 1.00 0.00 C ATOM 536 CG PHE A 34 2.760 29.346 -3.109 1.00 0.00 C ATOM 537 CD1 PHE A 34 1.837 29.109 -2.104 1.00 0.00 C ATOM 538 CD2 PHE A 34 4.056 28.884 -2.947 1.00 0.00 C ATOM 539 CE1 PHE A 34 2.201 28.426 -0.959 1.00 0.00 C ATOM 540 CE2 PHE A 34 4.423 28.194 -1.808 1.00 0.00 C ATOM 541 CZ PHE A 34 3.495 27.967 -0.812 1.00 0.00 C ATOM 0 H PHE A 34 0.439 31.475 -3.498 1.00 0.00 H new ATOM 0 HA PHE A 34 3.290 31.829 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.371 29.853 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.047 29.862 -5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.822 29.462 -2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.788 29.065 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.474 28.251 -0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.435 27.833 -1.697 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.780 27.431 0.081 1.00 0.00 H new ATOM 551 N ASN A 35 1.699 32.847 -6.076 1.00 0.00 N ATOM 552 CA ASN A 35 1.899 33.625 -7.302 1.00 0.00 C ATOM 553 C ASN A 35 2.758 34.861 -7.029 1.00 0.00 C ATOM 554 O ASN A 35 3.504 35.319 -7.895 1.00 0.00 O ATOM 555 CB ASN A 35 0.557 34.040 -7.923 1.00 0.00 C ATOM 556 CG ASN A 35 -0.082 32.947 -8.768 1.00 0.00 C ATOM 557 OD1 ASN A 35 -0.811 33.238 -9.717 1.00 0.00 O ATOM 558 ND2 ASN A 35 0.186 31.687 -8.441 1.00 0.00 N ATOM 0 H ASN A 35 0.724 32.680 -5.828 1.00 0.00 H new ATOM 0 HA ASN A 35 2.422 32.987 -8.014 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.132 34.322 -7.127 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.709 34.925 -8.541 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.217 30.923 -8.983 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.795 31.484 -7.648 1.00 0.00 H new ATOM 565 N ASP A 36 2.645 35.389 -5.814 1.00 0.00 N ATOM 566 CA ASP A 36 3.404 36.567 -5.397 1.00 0.00 C ATOM 567 C ASP A 36 4.915 36.321 -5.434 1.00 0.00 C ATOM 568 O ASP A 36 5.703 37.267 -5.439 1.00 0.00 O ATOM 569 CB ASP A 36 2.980 36.998 -3.991 1.00 0.00 C ATOM 570 CG ASP A 36 1.650 37.726 -3.987 1.00 0.00 C ATOM 571 OD1 ASP A 36 1.512 38.718 -4.734 1.00 0.00 O ATOM 572 OD2 ASP A 36 0.744 37.304 -3.237 1.00 0.00 O ATOM 0 H ASP A 36 2.028 35.016 -5.093 1.00 0.00 H new ATOM 0 HA ASP A 36 3.182 37.364 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.912 36.119 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.747 37.645 -3.565 1.00 0.00 H new ATOM 577 N ASN A 37 5.314 35.050 -5.453 1.00 0.00 N ATOM 578 CA ASN A 37 6.734 34.704 -5.480 1.00 0.00 C ATOM 579 C ASN A 37 7.182 34.225 -6.860 1.00 0.00 C ATOM 580 O ASN A 37 8.370 34.268 -7.179 1.00 0.00 O ATOM 581 CB ASN A 37 7.057 33.649 -4.419 1.00 0.00 C ATOM 582 CG ASN A 37 6.413 32.310 -4.705 1.00 0.00 C ATOM 583 OD1 ASN A 37 6.661 31.697 -5.743 1.00 0.00 O ATOM 584 ND2 ASN A 37 5.579 31.849 -3.781 1.00 0.00 N ATOM 0 H ASN A 37 4.681 34.250 -5.450 1.00 0.00 H new ATOM 0 HA ASN A 37 7.289 35.614 -5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.138 33.521 -4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.723 34.006 -3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.113 30.952 -3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.404 32.392 -2.936 1.00 0.00 H new ATOM 591 N GLY A 38 6.235 33.782 -7.687 1.00 0.00 N ATOM 592 CA GLY A 38 6.587 33.330 -9.024 1.00 0.00 C ATOM 593 C GLY A 38 6.001 31.976 -9.395 1.00 0.00 C ATOM 594 O GLY A 38 6.437 31.360 -10.367 1.00 0.00 O ATOM 0 H GLY A 38 5.242 33.728 -7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.248 34.071 -9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.673 33.279 -9.105 1.00 0.00 H new ATOM 598 N VAL A 39 5.014 31.509 -8.636 1.00 0.00 N ATOM 599 CA VAL A 39 4.388 30.221 -8.923 1.00 0.00 C ATOM 600 C VAL A 39 3.201 30.392 -9.866 1.00 0.00 C ATOM 601 O VAL A 39 2.462 31.374 -9.777 1.00 0.00 O ATOM 602 CB VAL A 39 3.915 29.519 -7.634 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.406 28.118 -7.943 1.00 0.00 C ATOM 604 CG2 VAL A 39 5.040 29.470 -6.612 1.00 0.00 C ATOM 0 H VAL A 39 4.633 31.997 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 39 5.145 29.599 -9.401 1.00 0.00 H new ATOM 0 HB VAL A 39 3.092 30.094 -7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.077 27.639 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.569 28.180 -8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.207 27.530 -8.391 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.689 28.971 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.884 28.919 -7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.354 30.485 -6.368 1.00 0.00 H new ATOM 614 N ASP A 40 3.022 29.433 -10.769 1.00 0.00 N ATOM 615 CA ASP A 40 1.923 29.484 -11.730 1.00 0.00 C ATOM 616 C ASP A 40 1.555 28.085 -12.215 1.00 0.00 C ATOM 617 O ASP A 40 2.156 27.094 -11.802 1.00 0.00 O ATOM 618 CB ASP A 40 2.302 30.365 -12.921 1.00 0.00 C ATOM 619 CG ASP A 40 2.189 31.844 -12.607 1.00 0.00 C ATOM 620 OD1 ASP A 40 1.162 32.250 -12.023 1.00 0.00 O ATOM 621 OD2 ASP A 40 3.126 32.597 -12.948 1.00 0.00 O ATOM 0 H ASP A 40 3.622 28.613 -10.856 1.00 0.00 H new ATOM 0 HA ASP A 40 1.056 29.913 -11.228 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.324 30.138 -13.226 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.656 30.126 -13.766 1.00 0.00 H new ATOM 626 N GLY A 41 0.562 28.014 -13.096 1.00 0.00 N ATOM 627 CA GLY A 41 0.126 26.734 -13.626 1.00 0.00 C ATOM 628 C GLY A 41 -1.323 26.435 -13.295 1.00 0.00 C ATOM 629 O GLY A 41 -2.157 27.341 -13.261 1.00 0.00 O ATOM 0 H GLY A 41 0.051 28.821 -13.453 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.257 26.728 -14.708 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.759 25.943 -13.224 1.00 0.00 H new ATOM 633 N GLU A 42 -1.626 25.164 -13.053 1.00 0.00 N ATOM 634 CA GLU A 42 -2.986 24.753 -12.724 1.00 0.00 C ATOM 635 C GLU A 42 -2.983 23.547 -11.792 1.00 0.00 C ATOM 636 O GLU A 42 -2.020 22.782 -11.752 1.00 0.00 O ATOM 637 CB GLU A 42 -3.762 24.423 -14.000 1.00 0.00 C ATOM 638 CG GLU A 42 -4.241 25.652 -14.756 1.00 0.00 C ATOM 639 CD GLU A 42 -5.439 25.364 -15.639 1.00 0.00 C ATOM 640 OE1 GLU A 42 -5.324 24.495 -16.528 1.00 0.00 O ATOM 641 OE2 GLU A 42 -6.492 26.006 -15.440 1.00 0.00 O ATOM 0 H GLU A 42 -0.949 24.402 -13.078 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.474 25.582 -12.211 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.128 23.827 -14.657 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.623 23.807 -13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.500 26.435 -14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.426 26.037 -15.370 1.00 0.00 H new ATOM 648 N TRP A 43 -4.070 23.382 -11.046 1.00 0.00 N ATOM 649 CA TRP A 43 -4.198 22.267 -10.114 1.00 0.00 C ATOM 650 C TRP A 43 -4.435 20.961 -10.854 1.00 0.00 C ATOM 651 O TRP A 43 -5.429 20.805 -11.563 1.00 0.00 O ATOM 652 CB TRP A 43 -5.335 22.529 -9.126 1.00 0.00 C ATOM 653 CG TRP A 43 -4.996 23.569 -8.102 1.00 0.00 C ATOM 654 CD1 TRP A 43 -5.348 24.889 -8.128 1.00 0.00 C ATOM 655 CD2 TRP A 43 -4.233 23.379 -6.906 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.850 25.529 -7.020 1.00 0.00 N ATOM 657 CE2 TRP A 43 -4.163 24.624 -6.254 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.603 22.275 -6.323 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.488 24.795 -5.048 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -2.934 22.447 -5.126 1.00 0.00 C ATOM 661 CH2 TRP A 43 -2.881 23.698 -4.499 1.00 0.00 C ATOM 0 H TRP A 43 -4.876 24.007 -11.068 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.263 22.179 -9.561 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.221 22.845 -9.677 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.590 21.598 -8.619 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.932 25.359 -8.905 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.972 26.518 -6.802 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.639 21.306 -6.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.445 25.759 -4.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.444 21.602 -4.666 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.351 23.799 -3.564 1.00 0.00 H new ATOM 672 N THR A 44 -3.512 20.025 -10.680 1.00 0.00 N ATOM 673 CA THR A 44 -3.614 18.728 -11.327 1.00 0.00 C ATOM 674 C THR A 44 -3.871 17.633 -10.302 1.00 0.00 C ATOM 675 O THR A 44 -3.289 17.626 -9.218 1.00 0.00 O ATOM 676 CB THR A 44 -2.338 18.418 -12.111 1.00 0.00 C ATOM 677 OG1 THR A 44 -1.220 18.355 -11.245 1.00 0.00 O ATOM 678 CG2 THR A 44 -2.031 19.442 -13.184 1.00 0.00 C ATOM 0 H THR A 44 -2.684 20.142 -10.095 1.00 0.00 H new ATOM 0 HA THR A 44 -4.455 18.762 -12.020 1.00 0.00 H new ATOM 0 HB THR A 44 -2.520 17.456 -12.591 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.520 18.442 -10.316 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.114 19.162 -13.702 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.854 19.479 -13.898 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.904 20.423 -12.725 1.00 0.00 H new ATOM 686 N TYR A 45 -4.736 16.700 -10.669 1.00 0.00 N ATOM 687 CA TYR A 45 -5.069 15.580 -9.800 1.00 0.00 C ATOM 688 C TYR A 45 -3.902 14.604 -9.717 1.00 0.00 C ATOM 689 O TYR A 45 -3.223 14.350 -10.712 1.00 0.00 O ATOM 690 CB TYR A 45 -6.322 14.861 -10.305 1.00 0.00 C ATOM 691 CG TYR A 45 -7.613 15.547 -9.914 1.00 0.00 C ATOM 692 CD1 TYR A 45 -8.171 15.347 -8.658 1.00 0.00 C ATOM 693 CD2 TYR A 45 -8.271 16.393 -10.798 1.00 0.00 C ATOM 694 CE1 TYR A 45 -9.350 15.968 -8.294 1.00 0.00 C ATOM 695 CE2 TYR A 45 -9.451 17.019 -10.441 1.00 0.00 C ATOM 696 CZ TYR A 45 -9.986 16.803 -9.188 1.00 0.00 C ATOM 697 OH TYR A 45 -11.160 17.424 -8.829 1.00 0.00 O ATOM 0 H TYR A 45 -5.222 16.696 -11.566 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.270 15.970 -8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.275 14.786 -11.391 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.329 13.843 -9.915 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.675 14.695 -7.954 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.854 16.564 -11.780 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.772 15.800 -7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.951 17.674 -11.139 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.477 17.978 -9.572 1.00 0.00 H new ATOM 707 N ASP A 46 -3.669 14.061 -8.527 1.00 0.00 N ATOM 708 CA ASP A 46 -2.577 13.116 -8.323 1.00 0.00 C ATOM 709 C ASP A 46 -2.890 11.781 -8.989 1.00 0.00 C ATOM 710 O ASP A 46 -4.048 11.474 -9.271 1.00 0.00 O ATOM 711 CB ASP A 46 -2.334 12.896 -6.829 1.00 0.00 C ATOM 712 CG ASP A 46 -2.042 14.185 -6.089 1.00 0.00 C ATOM 713 OD1 ASP A 46 -2.697 15.204 -6.389 1.00 0.00 O ATOM 714 OD2 ASP A 46 -1.159 14.174 -5.205 1.00 0.00 O ATOM 0 H ASP A 46 -4.220 14.258 -7.691 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.678 13.536 -8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.210 12.419 -6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.498 12.209 -6.698 1.00 0.00 H new ATOM 719 N ASP A 47 -1.853 10.987 -9.237 1.00 0.00 N ATOM 720 CA ASP A 47 -2.026 9.683 -9.867 1.00 0.00 C ATOM 721 C ASP A 47 -2.788 8.740 -8.941 1.00 0.00 C ATOM 722 O ASP A 47 -2.536 8.697 -7.737 1.00 0.00 O ATOM 723 CB ASP A 47 -0.667 9.080 -10.229 1.00 0.00 C ATOM 724 CG ASP A 47 -0.090 9.677 -11.497 1.00 0.00 C ATOM 725 OD1 ASP A 47 -0.458 9.207 -12.594 1.00 0.00 O ATOM 726 OD2 ASP A 47 0.732 10.612 -11.394 1.00 0.00 O ATOM 0 H ASP A 47 -0.887 11.223 -9.012 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.604 9.818 -10.781 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.029 9.240 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.772 8.002 -10.353 1.00 0.00 H new ATOM 731 N ALA A 48 -3.735 7.997 -9.508 1.00 0.00 N ATOM 732 CA ALA A 48 -4.550 7.068 -8.733 1.00 0.00 C ATOM 733 C ALA A 48 -3.695 6.076 -7.949 1.00 0.00 C ATOM 734 O ALA A 48 -2.702 5.552 -8.454 1.00 0.00 O ATOM 735 CB ALA A 48 -5.510 6.324 -9.650 1.00 0.00 C ATOM 0 H ALA A 48 -3.957 8.021 -10.503 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.119 7.653 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.114 5.633 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.162 7.039 -10.151 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.943 5.766 -10.395 1.00 0.00 H new ATOM 741 N THR A 49 -4.100 5.823 -6.707 1.00 0.00 N ATOM 742 CA THR A 49 -3.393 4.894 -5.832 1.00 0.00 C ATOM 743 C THR A 49 -4.353 3.844 -5.280 1.00 0.00 C ATOM 744 O THR A 49 -5.561 4.071 -5.216 1.00 0.00 O ATOM 745 CB THR A 49 -2.731 5.644 -4.677 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.886 6.673 -5.163 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.899 4.750 -3.781 1.00 0.00 C ATOM 0 H THR A 49 -4.921 6.253 -6.282 1.00 0.00 H new ATOM 0 HA THR A 49 -2.622 4.396 -6.419 1.00 0.00 H new ATOM 0 HB THR A 49 -3.554 6.054 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.473 7.141 -4.408 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.457 5.345 -2.982 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.533 3.976 -3.349 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.106 4.284 -4.367 1.00 0.00 H new ATOM 755 N LYS A 50 -3.813 2.695 -4.886 1.00 0.00 N ATOM 756 CA LYS A 50 -4.637 1.620 -4.344 1.00 0.00 C ATOM 757 C LYS A 50 -4.140 1.188 -2.967 1.00 0.00 C ATOM 758 O LYS A 50 -3.030 0.676 -2.826 1.00 0.00 O ATOM 759 CB LYS A 50 -4.637 0.423 -5.296 1.00 0.00 C ATOM 760 CG LYS A 50 -5.935 -0.368 -5.279 1.00 0.00 C ATOM 761 CD LYS A 50 -6.173 -1.077 -6.602 1.00 0.00 C ATOM 762 CE LYS A 50 -6.492 -0.090 -7.713 1.00 0.00 C ATOM 763 NZ LYS A 50 -7.079 -0.763 -8.904 1.00 0.00 N ATOM 0 H LYS A 50 -2.816 2.485 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.655 1.996 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.450 0.776 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.813 -0.240 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.905 -1.101 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.768 0.303 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.289 -1.655 -6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.996 -1.784 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.188 0.662 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.582 0.435 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.394 -0.744 -9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.307 -1.750 -8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.947 -0.266 -9.191 1.00 0.00 H new ATOM 777 N THR A 51 -4.979 1.394 -1.956 1.00 0.00 N ATOM 778 CA THR A 51 -4.640 1.025 -0.587 1.00 0.00 C ATOM 779 C THR A 51 -5.434 -0.208 -0.156 1.00 0.00 C ATOM 780 O THR A 51 -6.659 -0.241 -0.279 1.00 0.00 O ATOM 781 CB THR A 51 -4.911 2.203 0.356 1.00 0.00 C ATOM 782 OG1 THR A 51 -4.044 3.283 0.060 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.727 1.862 1.820 1.00 0.00 C ATOM 0 H THR A 51 -5.902 1.816 -2.061 1.00 0.00 H new ATOM 0 HA THR A 51 -3.579 0.780 -0.539 1.00 0.00 H new ATOM 0 HB THR A 51 -5.956 2.468 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.230 4.028 0.669 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.935 2.743 2.428 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.412 1.060 2.096 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.701 1.537 1.992 1.00 0.00 H new ATOM 791 N PHE A 52 -4.730 -1.220 0.344 1.00 0.00 N ATOM 792 CA PHE A 52 -5.371 -2.456 0.789 1.00 0.00 C ATOM 793 C PHE A 52 -5.956 -2.309 2.192 1.00 0.00 C ATOM 794 O PHE A 52 -5.220 -2.131 3.163 1.00 0.00 O ATOM 795 CB PHE A 52 -4.371 -3.614 0.764 1.00 0.00 C ATOM 796 CG PHE A 52 -4.986 -4.945 1.095 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.585 -5.711 0.108 1.00 0.00 C ATOM 798 CD2 PHE A 52 -4.964 -5.429 2.393 1.00 0.00 C ATOM 799 CE1 PHE A 52 -6.151 -6.936 0.409 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.530 -6.653 2.701 1.00 0.00 C ATOM 801 CZ PHE A 52 -6.123 -7.406 1.708 1.00 0.00 C ATOM 0 H PHE A 52 -3.716 -1.209 0.452 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.188 -2.669 0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.916 -3.669 -0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.569 -3.407 1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.610 -5.347 -0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.500 -4.844 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.614 -7.524 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.508 -7.019 3.717 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.565 -8.362 1.946 1.00 0.00 H new ATOM 811 N THR A 53 -7.277 -2.401 2.295 1.00 0.00 N ATOM 812 CA THR A 53 -7.948 -2.295 3.586 1.00 0.00 C ATOM 813 C THR A 53 -8.112 -3.676 4.215 1.00 0.00 C ATOM 814 O THR A 53 -8.684 -4.580 3.605 1.00 0.00 O ATOM 815 CB THR A 53 -9.314 -1.624 3.430 1.00 0.00 C ATOM 816 OG1 THR A 53 -9.179 -0.344 2.838 1.00 0.00 O ATOM 817 CG2 THR A 53 -10.046 -1.447 4.742 1.00 0.00 C ATOM 0 H THR A 53 -7.903 -2.548 1.503 1.00 0.00 H new ATOM 0 HA THR A 53 -7.332 -1.680 4.242 1.00 0.00 H new ATOM 0 HB THR A 53 -9.894 -2.294 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.722 -0.429 1.975 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.007 -0.966 4.560 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.210 -2.422 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.450 -0.826 5.410 1.00 0.00 H new ATOM 825 N VAL A 54 -7.602 -3.837 5.432 1.00 0.00 N ATOM 826 CA VAL A 54 -7.691 -5.115 6.130 1.00 0.00 C ATOM 827 C VAL A 54 -9.118 -5.399 6.584 1.00 0.00 C ATOM 828 O VAL A 54 -9.923 -4.482 6.749 1.00 0.00 O ATOM 829 CB VAL A 54 -6.763 -5.162 7.360 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.611 -6.591 7.856 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.405 -4.557 7.034 1.00 0.00 C ATOM 0 H VAL A 54 -7.125 -3.102 5.954 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.375 -5.876 5.417 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.215 -4.569 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.953 -6.607 8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.588 -6.985 8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.183 -7.207 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.766 -4.600 7.916 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.942 -5.118 6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.533 -3.518 6.730 1.00 0.00 H new ATOM 841 N THR A 55 -9.423 -6.676 6.785 1.00 0.00 N ATOM 842 CA THR A 55 -10.752 -7.088 7.222 1.00 0.00 C ATOM 843 C THR A 55 -10.676 -8.337 8.092 1.00 0.00 C ATOM 844 O THR A 55 -10.931 -8.287 9.295 1.00 0.00 O ATOM 845 CB THR A 55 -11.653 -7.346 6.013 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.707 -6.206 5.175 1.00 0.00 O ATOM 847 CG2 THR A 55 -13.074 -7.706 6.392 1.00 0.00 C ATOM 0 H THR A 55 -8.767 -7.445 6.652 1.00 0.00 H new ATOM 0 HA THR A 55 -11.178 -6.280 7.816 1.00 0.00 H new ATOM 0 HB THR A 55 -11.206 -8.195 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.405 -6.330 4.498 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.660 -7.876 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.071 -8.612 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.516 -6.889 6.963 1.00 0.00 H new ATOM 855 N GLU A 56 -10.324 -9.454 7.470 1.00 0.00 N ATOM 856 CA GLU A 56 -10.210 -10.725 8.180 1.00 0.00 C ATOM 857 C GLU A 56 -11.543 -11.119 8.809 1.00 0.00 C ATOM 858 O GLU A 56 -11.578 -12.139 9.527 1.00 0.00 O ATOM 859 CB GLU A 56 -9.130 -10.636 9.260 1.00 0.00 C ATOM 860 CG GLU A 56 -7.726 -10.470 8.704 1.00 0.00 C ATOM 861 CD GLU A 56 -6.704 -10.167 9.781 1.00 0.00 C ATOM 862 OE1 GLU A 56 -6.907 -10.605 10.933 1.00 0.00 O ATOM 863 OE2 GLU A 56 -5.698 -9.493 9.473 1.00 0.00 O ATOM 864 OXT GLU A 56 -12.540 -10.402 8.578 1.00 0.00 O ATOM 0 H GLU A 56 -10.112 -9.508 6.474 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.929 -11.491 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.353 -9.795 9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.165 -11.537 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.437 -11.381 8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.723 -9.665 7.969 1.00 0.00 H new ATOM 872 N MET B 1 -10.210 16.466 1.876 1.00 0.00 N ATOM 873 CA MET B 1 -9.356 16.578 0.667 1.00 0.00 C ATOM 874 C MET B 1 -7.894 16.793 1.045 1.00 0.00 C ATOM 875 O MET B 1 -7.554 17.762 1.721 1.00 0.00 O ATOM 876 CB MET B 1 -9.865 17.745 -0.184 1.00 0.00 C ATOM 877 CG MET B 1 -9.859 17.460 -1.677 1.00 0.00 C ATOM 878 SD MET B 1 -8.327 17.971 -2.476 1.00 0.00 S ATOM 879 CE MET B 1 -7.571 16.381 -2.805 1.00 0.00 C ATOM 0 H1 MET B 1 -11.032 15.865 1.666 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.661 16.043 2.651 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.536 17.412 2.159 1.00 0.00 H new ATOM 0 HA MET B 1 -9.413 15.650 0.099 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.880 17.993 0.126 1.00 0.00 H new ATOM 0 HB3 MET B 1 -9.248 18.622 0.012 1.00 0.00 H new ATOM 0 HG2 MET B 1 -10.010 16.393 -1.840 1.00 0.00 H new ATOM 0 HG3 MET B 1 -10.698 17.976 -2.145 1.00 0.00 H new ATOM 0 HE1 MET B 1 -6.560 16.530 -3.185 1.00 0.00 H new ATOM 0 HE2 MET B 1 -7.530 15.800 -1.884 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.162 15.844 -3.547 1.00 0.00 H new ATOM 891 N GLN B 2 -7.032 15.889 0.589 1.00 0.00 N ATOM 892 CA GLN B 2 -5.606 15.990 0.871 1.00 0.00 C ATOM 893 C GLN B 2 -4.904 16.767 -0.235 1.00 0.00 C ATOM 894 O GLN B 2 -5.016 16.427 -1.413 1.00 0.00 O ATOM 895 CB GLN B 2 -4.979 14.604 1.038 1.00 0.00 C ATOM 896 CG GLN B 2 -5.077 13.727 -0.198 1.00 0.00 C ATOM 897 CD GLN B 2 -4.711 12.282 0.090 1.00 0.00 C ATOM 898 OE1 GLN B 2 -3.577 11.980 0.462 1.00 0.00 O ATOM 899 NE2 GLN B 2 -5.672 11.383 -0.080 1.00 0.00 N ATOM 0 H GLN B 2 -7.296 15.081 0.025 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.481 16.529 1.810 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -3.929 14.722 1.305 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.464 14.095 1.871 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -6.092 13.771 -0.592 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -4.417 14.119 -0.972 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -6.598 11.678 -0.390 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.485 10.396 0.099 1.00 0.00 H new ATOM 908 N TYR B 3 -4.196 17.825 0.149 1.00 0.00 N ATOM 909 CA TYR B 3 -3.499 18.663 -0.817 1.00 0.00 C ATOM 910 C TYR B 3 -1.986 18.487 -0.742 1.00 0.00 C ATOM 911 O TYR B 3 -1.394 18.497 0.340 1.00 0.00 O ATOM 912 CB TYR B 3 -3.862 20.132 -0.595 1.00 0.00 C ATOM 913 CG TYR B 3 -5.196 20.521 -1.190 1.00 0.00 C ATOM 914 CD1 TYR B 3 -5.289 20.955 -2.507 1.00 0.00 C ATOM 915 CD2 TYR B 3 -6.362 20.453 -0.438 1.00 0.00 C ATOM 916 CE1 TYR B 3 -6.507 21.311 -3.056 1.00 0.00 C ATOM 917 CE2 TYR B 3 -7.583 20.807 -0.980 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.649 21.235 -2.289 1.00 0.00 C ATOM 919 OH TYR B 3 -8.864 21.588 -2.832 1.00 0.00 O ATOM 0 H TYR B 3 -4.091 18.121 1.120 1.00 0.00 H new ATOM 0 HA TYR B 3 -3.819 18.350 -1.811 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.877 20.336 0.476 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.083 20.760 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.396 21.015 -3.111 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.314 20.118 0.588 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.563 21.647 -4.081 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.480 20.749 -0.382 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.847 22.535 -3.085 1.00 0.00 H new ATOM 929 N LYS B 4 -1.376 18.333 -1.912 1.00 0.00 N ATOM 930 CA LYS B 4 0.069 18.162 -2.018 1.00 0.00 C ATOM 931 C LYS B 4 0.722 19.431 -2.558 1.00 0.00 C ATOM 932 O LYS B 4 0.329 19.944 -3.606 1.00 0.00 O ATOM 933 CB LYS B 4 0.401 16.977 -2.929 1.00 0.00 C ATOM 934 CG LYS B 4 1.635 16.201 -2.495 1.00 0.00 C ATOM 935 CD LYS B 4 2.146 15.300 -3.608 1.00 0.00 C ATOM 936 CE LYS B 4 3.037 16.061 -4.576 1.00 0.00 C ATOM 937 NZ LYS B 4 3.548 15.186 -5.667 1.00 0.00 N ATOM 0 H LYS B 4 -1.864 18.323 -2.807 1.00 0.00 H new ATOM 0 HA LYS B 4 0.462 17.963 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.453 16.300 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.550 17.342 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS B 4 2.420 16.898 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.398 15.599 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.703 14.468 -3.177 1.00 0.00 H new ATOM 0 HD3 LYS B 4 1.301 14.873 -4.148 1.00 0.00 H new ATOM 0 HE2 LYS B 4 2.478 16.891 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS B 4 3.878 16.492 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 4.151 15.743 -6.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.103 14.408 -5.257 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.747 14.795 -6.202 1.00 0.00 H new ATOM 951 N VAL B 5 1.715 19.938 -1.833 1.00 0.00 N ATOM 952 CA VAL B 5 2.412 21.154 -2.242 1.00 0.00 C ATOM 953 C VAL B 5 3.906 21.071 -1.946 1.00 0.00 C ATOM 954 O VAL B 5 4.313 20.740 -0.833 1.00 0.00 O ATOM 955 CB VAL B 5 1.834 22.398 -1.539 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.411 23.668 -2.143 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.314 22.402 -1.622 1.00 0.00 C ATOM 0 H VAL B 5 2.054 19.528 -0.963 1.00 0.00 H new ATOM 0 HA VAL B 5 2.265 21.247 -3.318 1.00 0.00 H new ATOM 0 HB VAL B 5 2.117 22.362 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL B 5 1.992 24.536 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.495 23.667 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.161 23.713 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -0.075 23.288 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL B 5 0.007 22.413 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -0.079 21.508 -1.138 1.00 0.00 H new ATOM 967 N ILE B 6 4.720 21.380 -2.953 1.00 0.00 N ATOM 968 CA ILE B 6 6.171 21.348 -2.808 1.00 0.00 C ATOM 969 C ILE B 6 6.725 22.731 -2.476 1.00 0.00 C ATOM 970 O ILE B 6 6.519 23.686 -3.225 1.00 0.00 O ATOM 971 CB ILE B 6 6.852 20.838 -4.093 1.00 0.00 C ATOM 972 CG1 ILE B 6 6.169 19.565 -4.595 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.332 20.588 -3.844 1.00 0.00 C ATOM 974 CD1 ILE B 6 6.701 19.078 -5.925 1.00 0.00 C ATOM 0 H ILE B 6 4.397 21.656 -3.880 1.00 0.00 H new ATOM 0 HA ILE B 6 6.389 20.664 -1.988 1.00 0.00 H new ATOM 0 HB ILE B 6 6.755 21.604 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.295 18.777 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.098 19.749 -4.686 1.00 0.00 H new ATOM 0 HG21 ILE B 6 8.799 20.228 -4.761 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.811 21.517 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.448 19.840 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE B 6 6.171 18.172 -6.219 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.550 19.848 -6.681 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.766 18.862 -5.834 1.00 0.00 H new ATOM 986 N LEU B 7 7.443 22.831 -1.362 1.00 0.00 N ATOM 987 CA LEU B 7 8.043 24.094 -0.944 1.00 0.00 C ATOM 988 C LEU B 7 9.488 23.868 -0.505 1.00 0.00 C ATOM 989 O LEU B 7 9.740 23.209 0.503 1.00 0.00 O ATOM 990 CB LEU B 7 7.236 24.725 0.197 1.00 0.00 C ATOM 991 CG LEU B 7 6.243 25.809 -0.233 1.00 0.00 C ATOM 992 CD1 LEU B 7 4.889 25.194 -0.545 1.00 0.00 C ATOM 993 CD2 LEU B 7 6.111 26.876 0.848 1.00 0.00 C ATOM 0 H LEU B 7 7.624 22.051 -0.731 1.00 0.00 H new ATOM 0 HA LEU B 7 8.033 24.779 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.689 23.937 0.714 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.931 25.156 0.918 1.00 0.00 H new ATOM 0 HG LEU B 7 6.623 26.285 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.195 25.978 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.996 24.470 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU B 7 4.504 24.692 0.343 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.401 27.637 0.523 1.00 0.00 H new ATOM 0 HD22 LEU B 7 5.755 26.417 1.770 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.083 27.338 1.024 1.00 0.00 H new ATOM 1208 N ASP B 22 9.951 28.468 1.180 1.00 0.00 N ATOM 1209 CA ASP B 22 10.661 27.908 2.325 1.00 0.00 C ATOM 1210 C ASP B 22 9.736 27.085 3.208 1.00 0.00 C ATOM 1211 O ASP B 22 8.572 27.427 3.408 1.00 0.00 O ATOM 1212 CB ASP B 22 11.296 29.030 3.145 1.00 0.00 C ATOM 1213 CG ASP B 22 12.193 28.505 4.249 1.00 0.00 C ATOM 1214 OD1 ASP B 22 11.673 27.846 5.173 1.00 0.00 O ATOM 1215 OD2 ASP B 22 13.415 28.754 4.189 1.00 0.00 O ATOM 0 HA ASP B 22 11.439 27.247 1.944 1.00 0.00 H new ATOM 0 HB2 ASP B 22 11.877 29.674 2.485 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.510 29.646 3.582 1.00 0.00 H new ATOM 1220 N ALA B 23 10.276 25.997 3.732 1.00 0.00 N ATOM 1221 CA ALA B 23 9.529 25.103 4.603 1.00 0.00 C ATOM 1222 C ALA B 23 8.785 25.877 5.692 1.00 0.00 C ATOM 1223 O ALA B 23 7.615 25.611 5.968 1.00 0.00 O ATOM 1224 CB ALA B 23 10.483 24.093 5.212 1.00 0.00 C ATOM 0 H ALA B 23 11.240 25.709 3.567 1.00 0.00 H new ATOM 0 HA ALA B 23 8.776 24.581 4.012 1.00 0.00 H new ATOM 0 HB1 ALA B 23 9.930 23.419 5.866 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.960 23.518 4.418 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.246 24.615 5.790 1.00 0.00 H new ATOM 1230 N ALA B 24 9.472 26.837 6.305 1.00 0.00 N ATOM 1231 CA ALA B 24 8.882 27.654 7.360 1.00 0.00 C ATOM 1232 C ALA B 24 7.780 28.559 6.813 1.00 0.00 C ATOM 1233 O ALA B 24 6.844 28.914 7.529 1.00 0.00 O ATOM 1234 CB ALA B 24 9.954 28.485 8.048 1.00 0.00 C ATOM 0 H ALA B 24 10.441 27.068 6.088 1.00 0.00 H new ATOM 0 HA ALA B 24 8.432 26.982 8.090 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.498 29.089 8.833 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.701 27.824 8.487 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.432 29.139 7.318 1.00 0.00 H new ATOM 1240 N THR B 25 7.899 28.928 5.541 1.00 0.00 N ATOM 1241 CA THR B 25 6.915 29.794 4.900 1.00 0.00 C ATOM 1242 C THR B 25 5.546 29.123 4.885 1.00 0.00 C ATOM 1243 O THR B 25 4.524 29.763 5.130 1.00 0.00 O ATOM 1244 CB THR B 25 7.358 30.122 3.470 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.588 30.825 3.477 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.359 30.957 2.699 1.00 0.00 C ATOM 0 H THR B 25 8.667 28.641 4.934 1.00 0.00 H new ATOM 0 HA THR B 25 6.841 30.721 5.469 1.00 0.00 H new ATOM 0 HB THR B 25 7.452 29.156 2.974 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.856 31.024 2.556 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.742 31.149 1.697 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.413 30.420 2.630 1.00 0.00 H new ATOM 0 HG23 THR B 25 6.202 31.904 3.215 1.00 0.00 H new ATOM 1254 N PHE B 26 5.542 27.824 4.614 1.00 0.00 N ATOM 1255 CA PHE B 26 4.306 27.051 4.587 1.00 0.00 C ATOM 1256 C PHE B 26 3.693 26.960 5.982 1.00 0.00 C ATOM 1257 O PHE B 26 2.501 27.203 6.168 1.00 0.00 O ATOM 1258 CB PHE B 26 4.565 25.647 4.041 1.00 0.00 C ATOM 1259 CG PHE B 26 3.325 24.964 3.539 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.736 25.360 2.349 1.00 0.00 C ATOM 1261 CD2 PHE B 26 2.748 23.929 4.257 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.594 24.735 1.885 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.606 23.301 3.798 1.00 0.00 C ATOM 1264 CZ PHE B 26 1.028 23.704 2.610 1.00 0.00 C ATOM 0 H PHE B 26 6.382 27.283 4.409 1.00 0.00 H new ATOM 0 HA PHE B 26 3.603 27.563 3.930 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.290 25.709 3.230 1.00 0.00 H new ATOM 0 HB3 PHE B 26 5.014 25.038 4.825 1.00 0.00 H new ATOM 0 HD1 PHE B 26 3.174 26.165 1.778 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.196 23.609 5.186 1.00 0.00 H new ATOM 0 HE1 PHE B 26 1.144 25.052 0.956 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.166 22.496 4.368 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.136 23.214 2.249 1.00 0.00 H new ATOM 1274 N GLU B 27 4.521 26.591 6.955 1.00 0.00 N ATOM 1275 CA GLU B 27 4.075 26.440 8.338 1.00 0.00 C ATOM 1276 C GLU B 27 3.423 27.713 8.876 1.00 0.00 C ATOM 1277 O GLU B 27 2.310 27.674 9.400 1.00 0.00 O ATOM 1278 CB GLU B 27 5.256 26.050 9.228 1.00 0.00 C ATOM 1279 CG GLU B 27 5.861 24.699 8.882 1.00 0.00 C ATOM 1280 CD GLU B 27 6.898 24.248 9.892 1.00 0.00 C ATOM 1281 OE1 GLU B 27 7.916 24.954 10.053 1.00 0.00 O ATOM 1282 OE2 GLU B 27 6.693 23.189 10.522 1.00 0.00 O ATOM 0 H GLU B 27 5.510 26.390 6.811 1.00 0.00 H new ATOM 0 HA GLU B 27 3.322 25.652 8.353 1.00 0.00 H new ATOM 0 HB2 GLU B 27 6.028 26.815 9.148 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.927 26.036 10.267 1.00 0.00 H new ATOM 0 HG2 GLU B 27 5.068 23.954 8.824 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.320 24.753 7.895 1.00 0.00 H new ATOM 1289 N LYS B 28 4.134 28.830 8.778 1.00 0.00 N ATOM 1290 CA LYS B 28 3.633 30.103 9.292 1.00 0.00 C ATOM 1291 C LYS B 28 2.406 30.600 8.530 1.00 0.00 C ATOM 1292 O LYS B 28 1.402 30.970 9.138 1.00 0.00 O ATOM 1293 CB LYS B 28 4.737 31.162 9.236 1.00 0.00 C ATOM 1294 CG LYS B 28 4.361 32.470 9.911 1.00 0.00 C ATOM 1295 CD LYS B 28 5.584 33.336 10.172 1.00 0.00 C ATOM 1296 CE LYS B 28 6.205 33.030 11.525 1.00 0.00 C ATOM 1297 NZ LYS B 28 7.644 33.409 11.574 1.00 0.00 N ATOM 0 H LYS B 28 5.058 28.882 8.349 1.00 0.00 H new ATOM 0 HA LYS B 28 3.329 29.933 10.325 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.635 30.764 9.709 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.987 31.360 8.194 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.656 33.015 9.283 1.00 0.00 H new ATOM 0 HG3 LYS B 28 3.854 32.262 10.853 1.00 0.00 H new ATOM 0 HD2 LYS B 28 6.322 33.172 9.386 1.00 0.00 H new ATOM 0 HD3 LYS B 28 5.302 34.388 10.130 1.00 0.00 H new ATOM 0 HE2 LYS B 28 5.662 33.566 12.303 1.00 0.00 H new ATOM 0 HE3 LYS B 28 6.102 31.966 11.739 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.030 33.184 12.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 8.168 32.879 10.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 7.741 34.429 11.395 1.00 0.00 H new ATOM 1311 N VAL B 29 2.485 30.617 7.204 1.00 0.00 N ATOM 1312 CA VAL B 29 1.373 31.082 6.378 1.00 0.00 C ATOM 1313 C VAL B 29 0.126 30.216 6.544 1.00 0.00 C ATOM 1314 O VAL B 29 -0.990 30.729 6.601 1.00 0.00 O ATOM 1315 CB VAL B 29 1.764 31.120 4.887 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.599 31.609 4.035 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.989 31.998 4.681 1.00 0.00 C ATOM 0 H VAL B 29 3.305 30.315 6.678 1.00 0.00 H new ATOM 0 HA VAL B 29 1.141 32.090 6.721 1.00 0.00 H new ATOM 0 HB VAL B 29 2.011 30.107 4.571 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.898 31.628 2.987 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.250 30.936 4.159 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.315 32.613 4.349 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.252 32.014 3.623 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.770 33.012 5.016 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.824 31.598 5.256 1.00 0.00 H new ATOM 1327 N VAL B 30 0.318 28.903 6.601 1.00 0.00 N ATOM 1328 CA VAL B 30 -0.802 27.977 6.737 1.00 0.00 C ATOM 1329 C VAL B 30 -1.434 28.032 8.124 1.00 0.00 C ATOM 1330 O VAL B 30 -2.658 28.091 8.244 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.384 26.527 6.408 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.561 25.574 6.566 1.00 0.00 C ATOM 1333 CG2 VAL B 30 0.179 26.448 4.998 1.00 0.00 C ATOM 0 H VAL B 30 1.234 28.456 6.555 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.550 28.299 6.013 1.00 0.00 H new ATOM 0 HB VAL B 30 0.392 26.226 7.112 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.242 24.559 6.329 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -1.923 25.610 7.594 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.362 25.870 5.889 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.470 25.420 4.779 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.580 26.770 4.285 1.00 0.00 H new ATOM 0 HG23 VAL B 30 1.051 27.097 4.918 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.618 28.015 9.174 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.144 28.067 10.532 1.00 0.00 C ATOM 1345 C LYS B 31 -1.889 29.375 10.772 1.00 0.00 C ATOM 1346 O LYS B 31 -2.988 29.384 11.322 1.00 0.00 O ATOM 1347 CB LYS B 31 -0.008 27.923 11.547 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.483 27.563 12.947 1.00 0.00 C ATOM 1349 CD LYS B 31 0.681 27.203 13.855 1.00 0.00 C ATOM 1350 CE LYS B 31 0.266 27.198 15.318 1.00 0.00 C ATOM 1351 NZ LYS B 31 1.059 26.224 16.118 1.00 0.00 N ATOM 0 H LYS B 31 0.399 27.966 9.111 1.00 0.00 H new ATOM 0 HA LYS B 31 -1.842 27.240 10.658 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.684 27.156 11.199 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.549 28.859 11.591 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.032 28.403 13.373 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.176 26.724 12.892 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.067 26.221 13.582 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.492 27.916 13.708 1.00 0.00 H new ATOM 0 HE2 LYS B 31 0.392 28.197 15.734 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.793 26.953 15.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.201 26.598 17.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 0.548 25.320 16.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.983 26.073 15.665 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.284 30.478 10.348 1.00 0.00 N ATOM 1366 CA GLN B 32 -1.895 31.790 10.512 1.00 0.00 C ATOM 1367 C GLN B 32 -3.199 31.892 9.727 1.00 0.00 C ATOM 1368 O GLN B 32 -4.211 32.361 10.250 1.00 0.00 O ATOM 1369 CB GLN B 32 -0.930 32.892 10.068 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.426 34.294 10.380 1.00 0.00 C ATOM 1371 CD GLN B 32 -1.668 34.510 11.862 1.00 0.00 C ATOM 1372 OE1 GLN B 32 -0.860 34.109 12.698 1.00 0.00 O ATOM 1373 NE2 GLN B 32 -2.785 35.148 12.192 1.00 0.00 N ATOM 0 H GLN B 32 -0.373 30.490 9.889 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.120 31.921 11.570 1.00 0.00 H new ATOM 0 HB2 GLN B 32 0.033 32.739 10.556 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -0.761 32.805 8.995 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -0.696 35.021 10.025 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -2.351 34.478 9.834 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -3.427 35.463 11.464 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -3.001 35.323 13.173 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.178 31.441 8.474 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.361 31.470 7.622 1.00 0.00 C ATOM 1384 C PHE B 33 -5.451 30.513 8.104 1.00 0.00 C ATOM 1385 O PHE B 33 -6.622 30.886 8.175 1.00 0.00 O ATOM 1386 CB PHE B 33 -3.937 31.185 6.171 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.017 30.656 5.270 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.191 31.357 5.049 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -4.829 29.449 4.616 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.163 30.856 4.198 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.793 28.943 3.767 1.00 0.00 C ATOM 1392 CZ PHE B 33 -6.961 29.644 3.558 1.00 0.00 C ATOM 0 H PHE B 33 -2.349 31.050 8.026 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.808 32.463 7.674 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.547 32.106 5.738 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.117 30.467 6.186 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.350 32.303 5.545 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -3.915 28.896 4.773 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.076 31.409 4.034 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.632 27.999 3.267 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.718 29.249 2.896 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.073 29.282 8.429 1.00 0.00 N ATOM 1403 CA PHE B 34 -6.040 28.292 8.893 1.00 0.00 C ATOM 1404 C PHE B 34 -6.499 28.540 10.333 1.00 0.00 C ATOM 1405 O PHE B 34 -7.656 28.284 10.664 1.00 0.00 O ATOM 1406 CB PHE B 34 -5.494 26.878 8.705 1.00 0.00 C ATOM 1407 CG PHE B 34 -5.668 26.404 7.291 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -4.763 26.763 6.304 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -6.763 25.630 6.941 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -4.948 26.359 4.996 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -6.949 25.217 5.637 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.042 25.585 4.662 1.00 0.00 C ATOM 0 H PHE B 34 -4.111 28.946 8.381 1.00 0.00 H new ATOM 0 HA PHE B 34 -6.932 28.398 8.275 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -4.437 26.857 8.969 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.006 26.196 9.384 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.904 27.365 6.561 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -7.480 25.346 7.698 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -4.238 26.648 4.235 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.802 24.607 5.379 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.188 25.268 3.640 1.00 0.00 H new ATOM 1422 N ASN B 35 -5.615 29.057 11.182 1.00 0.00 N ATOM 1423 CA ASN B 35 -5.990 29.348 12.569 1.00 0.00 C ATOM 1424 C ASN B 35 -7.203 30.278 12.621 1.00 0.00 C ATOM 1425 O ASN B 35 -8.012 30.213 13.546 1.00 0.00 O ATOM 1426 CB ASN B 35 -4.817 29.966 13.345 1.00 0.00 C ATOM 1427 CG ASN B 35 -3.830 28.933 13.870 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -3.183 29.153 14.895 1.00 0.00 O ATOM 1429 ND2 ASN B 35 -3.707 27.800 13.185 1.00 0.00 N ATOM 0 H ASN B 35 -4.649 29.281 10.943 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.253 28.402 13.043 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.289 30.665 12.696 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.209 30.543 14.183 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.060 27.079 13.504 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -4.259 27.652 12.340 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.320 31.138 11.614 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.427 32.089 11.518 1.00 0.00 C ATOM 1438 C ASP B 36 -9.782 31.383 11.413 1.00 0.00 C ATOM 1439 O ASP B 36 -10.825 31.992 11.652 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.226 33.015 10.318 1.00 0.00 C ATOM 1441 CG ASP B 36 -7.190 34.091 10.585 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -7.334 34.816 11.591 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -6.237 34.207 9.787 1.00 0.00 O ATOM 0 H ASP B 36 -6.654 31.197 10.844 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.431 32.678 12.435 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.919 32.425 9.455 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.176 33.484 10.062 1.00 0.00 H new ATOM 1448 N ASN B 37 -9.764 30.103 11.047 1.00 0.00 N ATOM 1449 CA ASN B 37 -11.003 29.338 10.905 1.00 0.00 C ATOM 1450 C ASN B 37 -11.212 28.369 12.069 1.00 0.00 C ATOM 1451 O ASN B 37 -12.339 27.948 12.332 1.00 0.00 O ATOM 1452 CB ASN B 37 -11.029 28.585 9.574 1.00 0.00 C ATOM 1453 CG ASN B 37 -9.983 27.492 9.496 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -9.978 26.561 10.300 1.00 0.00 O ATOM 1455 ND2 ASN B 37 -9.090 27.602 8.520 1.00 0.00 N ATOM 0 H ASN B 37 -8.914 29.577 10.845 1.00 0.00 H new ATOM 0 HA ASN B 37 -11.825 30.054 10.919 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -12.017 28.147 9.429 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -10.871 29.292 8.759 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.361 26.897 8.414 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -9.133 28.392 7.876 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.138 28.027 12.778 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.269 27.123 13.912 1.00 0.00 C ATOM 1464 C GLY B 38 -9.273 25.974 13.908 1.00 0.00 C ATOM 1465 O GLY B 38 -9.447 25.004 14.645 1.00 0.00 O ATOM 0 H GLY B 38 -9.190 28.354 12.592 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.147 27.693 14.833 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.279 26.714 13.922 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.228 26.074 13.091 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.220 25.021 13.027 1.00 0.00 C ATOM 1471 C VAL B 39 -6.102 25.275 14.034 1.00 0.00 C ATOM 1472 O VAL B 39 -5.711 26.418 14.266 1.00 0.00 O ATOM 1473 CB VAL B 39 -6.611 24.901 11.615 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -5.677 23.702 11.533 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -7.711 24.801 10.569 1.00 0.00 C ATOM 0 H VAL B 39 -8.058 26.865 12.470 1.00 0.00 H new ATOM 0 HA VAL B 39 -7.724 24.086 13.271 1.00 0.00 H new ATOM 0 HB VAL B 39 -6.027 25.799 11.414 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.258 23.635 10.529 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -4.870 23.819 12.256 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.233 22.791 11.755 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.264 24.717 9.578 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.323 23.921 10.767 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.335 25.694 10.611 1.00 0.00 H new ATOM 1485 N ASP B 40 -5.593 24.201 14.633 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.521 24.313 15.618 1.00 0.00 C ATOM 1487 C ASP B 40 -3.714 23.021 15.700 1.00 0.00 C ATOM 1488 O ASP B 40 -3.997 22.053 14.995 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.098 24.653 16.994 1.00 0.00 C ATOM 1490 CG ASP B 40 -5.464 26.119 17.122 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -4.644 26.973 16.726 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -6.571 26.413 17.622 1.00 0.00 O ATOM 0 H ASP B 40 -5.905 23.246 14.454 1.00 0.00 H new ATOM 0 HA ASP B 40 -3.855 25.115 15.300 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -5.983 24.043 17.174 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.371 24.394 17.764 1.00 0.00 H new ATOM 1497 N GLY B 41 -2.707 23.015 16.568 1.00 0.00 N ATOM 1498 CA GLY B 41 -1.871 21.839 16.729 1.00 0.00 C ATOM 1499 C GLY B 41 -0.416 22.116 16.398 1.00 0.00 C ATOM 1500 O GLY B 41 0.091 23.205 16.665 1.00 0.00 O ATOM 0 H GLY B 41 -2.455 23.804 17.163 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -1.946 21.481 17.756 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.242 21.041 16.085 1.00 0.00 H new ATOM 1504 N GLU B 42 0.257 21.129 15.814 1.00 0.00 N ATOM 1505 CA GLU B 42 1.661 21.276 15.448 1.00 0.00 C ATOM 1506 C GLU B 42 1.993 20.449 14.210 1.00 0.00 C ATOM 1507 O GLU B 42 1.315 19.469 13.906 1.00 0.00 O ATOM 1508 CB GLU B 42 2.561 20.855 16.611 1.00 0.00 C ATOM 1509 CG GLU B 42 2.667 21.903 17.707 1.00 0.00 C ATOM 1510 CD GLU B 42 3.933 21.759 18.530 1.00 0.00 C ATOM 1511 OE1 GLU B 42 4.138 20.677 19.118 1.00 0.00 O ATOM 1512 OE2 GLU B 42 4.718 22.729 18.585 1.00 0.00 O ATOM 0 H GLU B 42 -0.147 20.221 15.585 1.00 0.00 H new ATOM 0 HA GLU B 42 1.840 22.327 15.220 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.177 19.930 17.040 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.558 20.639 16.228 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.640 22.896 17.259 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.800 21.826 18.364 1.00 0.00 H new ATOM 1519 N TRP B 43 3.041 20.853 13.500 1.00 0.00 N ATOM 1520 CA TRP B 43 3.467 20.151 12.295 1.00 0.00 C ATOM 1521 C TRP B 43 4.134 18.829 12.640 1.00 0.00 C ATOM 1522 O TRP B 43 5.159 18.794 13.320 1.00 0.00 O ATOM 1523 CB TRP B 43 4.418 21.025 11.478 1.00 0.00 C ATOM 1524 CG TRP B 43 3.725 22.155 10.781 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.646 23.452 11.201 1.00 0.00 C ATOM 1526 CD2 TRP B 43 3.005 22.088 9.545 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.923 24.196 10.300 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.519 23.381 9.275 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.726 21.061 8.638 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.769 23.672 8.137 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 1.982 21.352 7.511 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.511 22.648 7.268 1.00 0.00 C ATOM 0 H TRP B 43 3.612 21.664 13.739 1.00 0.00 H new ATOM 0 HA TRP B 43 2.581 19.939 11.697 1.00 0.00 H new ATOM 0 HB2 TRP B 43 5.187 21.429 12.137 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.925 20.406 10.738 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.087 23.837 12.109 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.720 25.192 10.381 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.086 20.058 8.815 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.404 24.671 7.948 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.760 20.566 6.805 1.00 0.00 H new ATOM 0 HH2 TRP B 43 0.933 22.843 6.377 1.00 0.00 H new ATOM 1543 N THR B 44 3.540 17.742 12.163 1.00 0.00 N ATOM 1544 CA THR B 44 4.072 16.413 12.415 1.00 0.00 C ATOM 1545 C THR B 44 4.610 15.796 11.133 1.00 0.00 C ATOM 1546 O THR B 44 4.009 15.920 10.065 1.00 0.00 O ATOM 1547 CB THR B 44 2.993 15.512 13.018 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.913 15.349 12.116 1.00 0.00 O ATOM 1549 CG2 THR B 44 2.430 16.041 14.319 1.00 0.00 C ATOM 0 H THR B 44 2.690 17.757 11.600 1.00 0.00 H new ATOM 0 HA THR B 44 4.893 16.505 13.126 1.00 0.00 H new ATOM 0 HB THR B 44 3.488 14.561 13.216 1.00 0.00 H new ATOM 0 HG1 THR B 44 2.070 15.894 11.316 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.670 15.355 14.692 1.00 0.00 H new ATOM 0 HG22 THR B 44 3.231 16.130 15.053 1.00 0.00 H new ATOM 0 HG23 THR B 44 1.983 17.021 14.150 1.00 0.00 H new ATOM 1557 N TYR B 45 5.739 15.116 11.257 1.00 0.00 N ATOM 1558 CA TYR B 45 6.363 14.454 10.119 1.00 0.00 C ATOM 1559 C TYR B 45 5.555 13.229 9.704 1.00 0.00 C ATOM 1560 O TYR B 45 5.037 12.502 10.550 1.00 0.00 O ATOM 1561 CB TYR B 45 7.800 14.050 10.454 1.00 0.00 C ATOM 1562 CG TYR B 45 8.792 15.186 10.337 1.00 0.00 C ATOM 1563 CD1 TYR B 45 9.329 15.535 9.105 1.00 0.00 C ATOM 1564 CD2 TYR B 45 9.191 15.909 11.455 1.00 0.00 C ATOM 1565 CE1 TYR B 45 10.235 16.571 8.988 1.00 0.00 C ATOM 1566 CE2 TYR B 45 10.097 16.946 11.347 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.616 17.274 10.112 1.00 0.00 C ATOM 1568 OH TYR B 45 11.519 18.305 10.000 1.00 0.00 O ATOM 0 H TYR B 45 6.244 15.007 12.136 1.00 0.00 H new ATOM 0 HA TYR B 45 6.385 15.156 9.285 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.830 13.656 11.470 1.00 0.00 H new ATOM 0 HB3 TYR B 45 8.106 13.242 9.789 1.00 0.00 H new ATOM 0 HD1 TYR B 45 9.033 14.987 8.223 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.786 15.656 12.424 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.643 16.829 8.022 1.00 0.00 H new ATOM 0 HE2 TYR B 45 10.398 17.497 12.226 1.00 0.00 H new ATOM 0 HH TYR B 45 11.680 18.697 10.884 1.00 0.00 H new ATOM 1578 N ASP B 46 5.450 13.008 8.398 1.00 0.00 N ATOM 1579 CA ASP B 46 4.699 11.869 7.880 1.00 0.00 C ATOM 1580 C ASP B 46 5.445 10.565 8.149 1.00 0.00 C ATOM 1581 O ASP B 46 6.653 10.569 8.384 1.00 0.00 O ATOM 1582 CB ASP B 46 4.468 12.023 6.376 1.00 0.00 C ATOM 1583 CG ASP B 46 3.754 13.312 6.024 1.00 0.00 C ATOM 1584 OD1 ASP B 46 4.072 14.354 6.634 1.00 0.00 O ATOM 1585 OD2 ASP B 46 2.877 13.279 5.135 1.00 0.00 O ATOM 0 H ASP B 46 5.873 13.599 7.682 1.00 0.00 H new ATOM 0 HA ASP B 46 3.736 11.839 8.391 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.428 11.991 5.860 1.00 0.00 H new ATOM 0 HB3 ASP B 46 3.883 11.178 6.014 1.00 0.00 H new ATOM 1590 N ASP B 47 4.720 9.452 8.108 1.00 0.00 N ATOM 1591 CA ASP B 47 5.320 8.145 8.345 1.00 0.00 C ATOM 1592 C ASP B 47 6.297 7.793 7.226 1.00 0.00 C ATOM 1593 O ASP B 47 6.014 8.019 6.049 1.00 0.00 O ATOM 1594 CB ASP B 47 4.236 7.071 8.451 1.00 0.00 C ATOM 1595 CG ASP B 47 3.559 7.066 9.808 1.00 0.00 C ATOM 1596 OD1 ASP B 47 4.102 6.438 10.741 1.00 0.00 O ATOM 1597 OD2 ASP B 47 2.485 7.691 9.938 1.00 0.00 O ATOM 0 H ASP B 47 3.719 9.429 7.913 1.00 0.00 H new ATOM 0 HA ASP B 47 5.867 8.186 9.287 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.488 7.236 7.675 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.678 6.092 8.265 1.00 0.00 H new ATOM 1602 N ALA B 48 7.454 7.254 7.601 1.00 0.00 N ATOM 1603 CA ALA B 48 8.481 6.888 6.632 1.00 0.00 C ATOM 1604 C ALA B 48 7.941 5.949 5.557 1.00 0.00 C ATOM 1605 O ALA B 48 7.185 5.020 5.844 1.00 0.00 O ATOM 1606 CB ALA B 48 9.667 6.251 7.342 1.00 0.00 C ATOM 0 H ALA B 48 7.703 7.061 8.571 1.00 0.00 H new ATOM 0 HA ALA B 48 8.806 7.802 6.134 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.428 5.982 6.609 1.00 0.00 H new ATOM 0 HB2 ALA B 48 10.086 6.959 8.057 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.338 5.356 7.869 1.00 0.00 H new ATOM 1612 N THR B 49 8.346 6.202 4.315 1.00 0.00 N ATOM 1613 CA THR B 49 7.923 5.390 3.178 1.00 0.00 C ATOM 1614 C THR B 49 9.135 4.896 2.395 1.00 0.00 C ATOM 1615 O THR B 49 10.208 5.498 2.454 1.00 0.00 O ATOM 1616 CB THR B 49 7.004 6.194 2.256 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.904 6.721 2.978 1.00 0.00 O ATOM 1618 CG2 THR B 49 6.453 5.381 1.105 1.00 0.00 C ATOM 0 H THR B 49 8.972 6.969 4.070 1.00 0.00 H new ATOM 0 HA THR B 49 7.374 4.530 3.561 1.00 0.00 H new ATOM 0 HB THR B 49 7.627 6.991 1.851 1.00 0.00 H new ATOM 0 HG1 THR B 49 5.329 7.233 2.371 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.810 6.010 0.490 1.00 0.00 H new ATOM 0 HG22 THR B 49 7.277 5.003 0.499 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.875 4.543 1.495 1.00 0.00 H new ATOM 1626 N LYS B 50 8.963 3.801 1.662 1.00 0.00 N ATOM 1627 CA LYS B 50 10.055 3.238 0.874 1.00 0.00 C ATOM 1628 C LYS B 50 9.654 3.087 -0.590 1.00 0.00 C ATOM 1629 O LYS B 50 8.753 2.317 -0.925 1.00 0.00 O ATOM 1630 CB LYS B 50 10.474 1.881 1.443 1.00 0.00 C ATOM 1631 CG LYS B 50 11.952 1.577 1.263 1.00 0.00 C ATOM 1632 CD LYS B 50 12.458 0.627 2.337 1.00 0.00 C ATOM 1633 CE LYS B 50 12.513 1.303 3.698 1.00 0.00 C ATOM 1634 NZ LYS B 50 13.332 0.529 4.671 1.00 0.00 N ATOM 0 H LYS B 50 8.084 3.288 1.597 1.00 0.00 H new ATOM 0 HA LYS B 50 10.899 3.925 0.929 1.00 0.00 H new ATOM 0 HB2 LYS B 50 10.232 1.851 2.505 1.00 0.00 H new ATOM 0 HB3 LYS B 50 9.889 1.098 0.961 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.117 1.138 0.279 1.00 0.00 H new ATOM 0 HG3 LYS B 50 12.523 2.505 1.298 1.00 0.00 H new ATOM 0 HD2 LYS B 50 11.806 -0.245 2.389 1.00 0.00 H new ATOM 0 HD3 LYS B 50 13.451 0.268 2.068 1.00 0.00 H new ATOM 0 HE2 LYS B 50 12.929 2.304 3.589 1.00 0.00 H new ATOM 0 HE3 LYS B 50 11.501 1.419 4.087 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 12.708 0.086 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 13.864 -0.209 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 13.997 1.169 5.151 1.00 0.00 H new ATOM 1648 N THR B 51 10.339 3.825 -1.461 1.00 0.00 N ATOM 1649 CA THR B 51 10.067 3.776 -2.892 1.00 0.00 C ATOM 1650 C THR B 51 11.186 3.030 -3.620 1.00 0.00 C ATOM 1651 O THR B 51 12.363 3.345 -3.454 1.00 0.00 O ATOM 1652 CB THR B 51 9.914 5.199 -3.445 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.768 5.822 -2.893 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.777 5.252 -4.952 1.00 0.00 C ATOM 0 H THR B 51 11.088 4.465 -1.198 1.00 0.00 H new ATOM 0 HA THR B 51 9.134 3.237 -3.058 1.00 0.00 H new ATOM 0 HB THR B 51 10.831 5.718 -3.164 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.684 6.730 -3.253 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.673 6.289 -5.272 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.664 4.817 -5.413 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.896 4.688 -5.257 1.00 0.00 H new ATOM 1662 N PHE B 52 10.810 2.037 -4.423 1.00 0.00 N ATOM 1663 CA PHE B 52 11.781 1.245 -5.173 1.00 0.00 C ATOM 1664 C PHE B 52 12.225 1.962 -6.444 1.00 0.00 C ATOM 1665 O PHE B 52 11.428 2.173 -7.358 1.00 0.00 O ATOM 1666 CB PHE B 52 11.194 -0.122 -5.528 1.00 0.00 C ATOM 1667 CG PHE B 52 12.177 -1.042 -6.197 1.00 0.00 C ATOM 1668 CD1 PHE B 52 13.031 -1.832 -5.444 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.246 -1.116 -7.578 1.00 0.00 C ATOM 1670 CE1 PHE B 52 13.935 -2.678 -6.056 1.00 0.00 C ATOM 1671 CE2 PHE B 52 13.149 -1.960 -8.197 1.00 0.00 C ATOM 1672 CZ PHE B 52 13.995 -2.742 -7.435 1.00 0.00 C ATOM 0 H PHE B 52 9.839 1.762 -4.571 1.00 0.00 H new ATOM 0 HA PHE B 52 12.655 1.108 -4.536 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.825 -0.597 -4.619 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.336 0.020 -6.185 1.00 0.00 H new ATOM 0 HD1 PHE B 52 12.989 -1.786 -4.366 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.587 -0.507 -8.179 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.594 -3.289 -5.457 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.193 -2.008 -9.275 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.702 -3.402 -7.916 1.00 0.00 H new ATOM 1682 N THR B 53 13.503 2.321 -6.507 1.00 0.00 N ATOM 1683 CA THR B 53 14.047 2.997 -7.679 1.00 0.00 C ATOM 1684 C THR B 53 14.603 1.978 -8.669 1.00 0.00 C ATOM 1685 O THR B 53 15.456 1.162 -8.318 1.00 0.00 O ATOM 1686 CB THR B 53 15.142 3.985 -7.271 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.643 4.934 -6.347 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.725 4.746 -8.442 1.00 0.00 C ATOM 0 H THR B 53 14.180 2.156 -5.762 1.00 0.00 H new ATOM 0 HA THR B 53 13.241 3.551 -8.160 1.00 0.00 H new ATOM 0 HB THR B 53 15.929 3.377 -6.824 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.402 4.482 -5.512 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.495 5.429 -8.085 1.00 0.00 H new ATOM 0 HG22 THR B 53 16.163 4.043 -9.151 1.00 0.00 H new ATOM 0 HG23 THR B 53 14.937 5.314 -8.935 1.00 0.00 H new ATOM 1696 N VAL B 54 14.112 2.021 -9.903 1.00 0.00 N ATOM 1697 CA VAL B 54 14.562 1.091 -10.934 1.00 0.00 C ATOM 1698 C VAL B 54 15.983 1.409 -11.382 1.00 0.00 C ATOM 1699 O VAL B 54 16.455 2.537 -11.237 1.00 0.00 O ATOM 1700 CB VAL B 54 13.637 1.112 -12.167 1.00 0.00 C ATOM 1701 CG1 VAL B 54 13.918 -0.088 -13.060 1.00 0.00 C ATOM 1702 CG2 VAL B 54 12.176 1.140 -11.746 1.00 0.00 C ATOM 0 H VAL B 54 13.405 2.687 -10.214 1.00 0.00 H new ATOM 0 HA VAL B 54 14.534 0.098 -10.486 1.00 0.00 H new ATOM 0 HB VAL B 54 13.841 2.020 -12.735 1.00 0.00 H new ATOM 0 HG11 VAL B 54 13.257 -0.059 -13.926 1.00 0.00 H new ATOM 0 HG12 VAL B 54 14.955 -0.058 -13.394 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.743 -1.007 -12.500 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.542 1.155 -12.633 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.951 0.253 -11.154 1.00 0.00 H new ATOM 0 HG23 VAL B 54 11.986 2.032 -11.150 1.00 0.00 H new ATOM 1712 N THR B 55 16.661 0.405 -11.928 1.00 0.00 N ATOM 1713 CA THR B 55 18.030 0.572 -12.401 1.00 0.00 C ATOM 1714 C THR B 55 18.307 -0.335 -13.594 1.00 0.00 C ATOM 1715 O THR B 55 18.478 0.135 -14.719 1.00 0.00 O ATOM 1716 CB THR B 55 19.021 0.271 -11.276 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.755 1.081 -10.143 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.464 0.500 -11.673 1.00 0.00 C ATOM 0 H THR B 55 16.284 -0.534 -12.054 1.00 0.00 H new ATOM 0 HA THR B 55 18.155 1.607 -12.718 1.00 0.00 H new ATOM 0 HB THR B 55 18.886 -0.786 -11.047 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.487 0.991 -9.497 1.00 0.00 H new ATOM 0 HG21 THR B 55 21.115 0.268 -10.830 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.717 -0.145 -12.514 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.601 1.542 -11.961 1.00 0.00 H new ATOM 1726 N GLU B 56 18.350 -1.635 -13.337 1.00 0.00 N ATOM 1727 CA GLU B 56 18.607 -2.618 -14.383 1.00 0.00 C ATOM 1728 C GLU B 56 19.966 -2.380 -15.033 1.00 0.00 C ATOM 1729 O GLU B 56 20.297 -3.105 -15.995 1.00 0.00 O ATOM 1730 CB GLU B 56 17.507 -2.563 -15.445 1.00 0.00 C ATOM 1731 CG GLU B 56 16.146 -3.012 -14.935 1.00 0.00 C ATOM 1732 CD GLU B 56 15.034 -2.745 -15.929 1.00 0.00 C ATOM 1733 OE1 GLU B 56 15.313 -2.741 -17.147 1.00 0.00 O ATOM 1734 OE2 GLU B 56 13.882 -2.539 -15.490 1.00 0.00 O ATOM 1735 OXT GLU B 56 20.690 -1.471 -14.573 1.00 0.00 O ATOM 0 H GLU B 56 18.210 -2.036 -12.410 1.00 0.00 H new ATOM 0 HA GLU B 56 18.612 -3.606 -13.923 1.00 0.00 H new ATOM 0 HB2 GLU B 56 17.427 -1.543 -15.821 1.00 0.00 H new ATOM 0 HB3 GLU B 56 17.795 -3.191 -16.288 1.00 0.00 H new ATOM 0 HG2 GLU B 56 16.180 -4.078 -14.711 1.00 0.00 H new ATOM 0 HG3 GLU B 56 15.924 -2.497 -14.000 1.00 0.00 H new ATOM 1743 N MET C 1 5.055 0.174 8.357 1.00 0.00 N ATOM 1744 CA MET C 1 5.863 0.686 7.221 1.00 0.00 C ATOM 1745 C MET C 1 5.043 0.713 5.934 1.00 0.00 C ATOM 1746 O MET C 1 4.542 -0.315 5.485 1.00 0.00 O ATOM 1747 CB MET C 1 7.092 -0.211 7.053 1.00 0.00 C ATOM 1748 CG MET C 1 8.367 0.553 6.736 1.00 0.00 C ATOM 1749 SD MET C 1 8.649 0.728 4.963 1.00 0.00 S ATOM 1750 CE MET C 1 8.300 2.470 4.735 1.00 0.00 C ATOM 0 H1 MET C 1 5.398 0.595 9.244 1.00 0.00 H new ATOM 0 H2 MET C 1 4.057 0.429 8.216 1.00 0.00 H new ATOM 0 H3 MET C 1 5.144 -0.861 8.408 1.00 0.00 H new ATOM 0 HA MET C 1 6.175 1.709 7.432 1.00 0.00 H new ATOM 0 HB2 MET C 1 7.240 -0.784 7.968 1.00 0.00 H new ATOM 0 HB3 MET C 1 6.901 -0.928 6.255 1.00 0.00 H new ATOM 0 HG2 MET C 1 8.316 1.542 7.191 1.00 0.00 H new ATOM 0 HG3 MET C 1 9.216 0.038 7.186 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.239 2.692 3.670 1.00 0.00 H new ATOM 0 HE2 MET C 1 7.351 2.717 5.212 1.00 0.00 H new ATOM 0 HE3 MET C 1 9.097 3.063 5.184 1.00 0.00 H new ATOM 1762 N GLN C 2 4.928 1.897 5.338 1.00 0.00 N ATOM 1763 CA GLN C 2 4.182 2.050 4.095 1.00 0.00 C ATOM 1764 C GLN C 2 5.111 1.886 2.900 1.00 0.00 C ATOM 1765 O GLN C 2 6.133 2.566 2.798 1.00 0.00 O ATOM 1766 CB GLN C 2 3.474 3.407 4.046 1.00 0.00 C ATOM 1767 CG GLN C 2 4.412 4.600 4.094 1.00 0.00 C ATOM 1768 CD GLN C 2 3.675 5.903 4.333 1.00 0.00 C ATOM 1769 OE1 GLN C 2 2.856 6.326 3.516 1.00 0.00 O ATOM 1770 NE2 GLN C 2 3.960 6.549 5.458 1.00 0.00 N ATOM 0 H GLN C 2 5.340 2.759 5.694 1.00 0.00 H new ATOM 0 HA GLN C 2 3.420 1.272 4.054 1.00 0.00 H new ATOM 0 HB2 GLN C 2 2.881 3.462 3.133 1.00 0.00 H new ATOM 0 HB3 GLN C 2 2.778 3.472 4.883 1.00 0.00 H new ATOM 0 HG2 GLN C 2 5.146 4.450 4.885 1.00 0.00 H new ATOM 0 HG3 GLN C 2 4.963 4.664 3.156 1.00 0.00 H new ATOM 0 HE21 GLN C 2 4.645 6.163 6.108 1.00 0.00 H new ATOM 0 HE22 GLN C 2 3.494 7.431 5.672 1.00 0.00 H new ATOM 1779 N TYR C 3 4.763 0.965 2.007 1.00 0.00 N ATOM 1780 CA TYR C 3 5.582 0.696 0.834 1.00 0.00 C ATOM 1781 C TYR C 3 4.927 1.196 -0.450 1.00 0.00 C ATOM 1782 O TYR C 3 3.741 0.966 -0.695 1.00 0.00 O ATOM 1783 CB TYR C 3 5.863 -0.803 0.723 1.00 0.00 C ATOM 1784 CG TYR C 3 6.976 -1.277 1.630 1.00 0.00 C ATOM 1785 CD1 TYR C 3 8.300 -1.249 1.209 1.00 0.00 C ATOM 1786 CD2 TYR C 3 6.704 -1.750 2.907 1.00 0.00 C ATOM 1787 CE1 TYR C 3 9.320 -1.680 2.035 1.00 0.00 C ATOM 1788 CE2 TYR C 3 7.719 -2.182 3.740 1.00 0.00 C ATOM 1789 CZ TYR C 3 9.025 -2.146 3.299 1.00 0.00 C ATOM 1790 OH TYR C 3 10.038 -2.576 4.125 1.00 0.00 O ATOM 0 H TYR C 3 3.920 0.394 2.074 1.00 0.00 H new ATOM 0 HA TYR C 3 6.519 1.238 0.960 1.00 0.00 H new ATOM 0 HB2 TYR C 3 4.953 -1.354 0.960 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.120 -1.041 -0.309 1.00 0.00 H new ATOM 0 HD1 TYR C 3 8.535 -0.884 0.220 1.00 0.00 H new ATOM 0 HD2 TYR C 3 5.682 -1.781 3.255 1.00 0.00 H new ATOM 0 HE1 TYR C 3 10.344 -1.652 1.692 1.00 0.00 H new ATOM 0 HE2 TYR C 3 7.490 -2.546 4.731 1.00 0.00 H new ATOM 0 HH TYR C 3 10.488 -3.345 3.717 1.00 0.00 H new ATOM 1800 N LYS C 4 5.727 1.878 -1.263 1.00 0.00 N ATOM 1801 CA LYS C 4 5.261 2.419 -2.537 1.00 0.00 C ATOM 1802 C LYS C 4 5.818 1.604 -3.700 1.00 0.00 C ATOM 1803 O LYS C 4 7.028 1.398 -3.804 1.00 0.00 O ATOM 1804 CB LYS C 4 5.678 3.884 -2.678 1.00 0.00 C ATOM 1805 CG LYS C 4 4.655 4.742 -3.405 1.00 0.00 C ATOM 1806 CD LYS C 4 5.258 6.060 -3.864 1.00 0.00 C ATOM 1807 CE LYS C 4 5.986 5.908 -5.191 1.00 0.00 C ATOM 1808 NZ LYS C 4 6.569 7.197 -5.656 1.00 0.00 N ATOM 0 H LYS C 4 6.708 2.071 -1.061 1.00 0.00 H new ATOM 0 HA LYS C 4 4.173 2.359 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS C 4 5.850 4.301 -1.686 1.00 0.00 H new ATOM 0 HB3 LYS C 4 6.626 3.933 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS C 4 4.269 4.198 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS C 4 3.809 4.938 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS C 4 4.470 6.807 -3.963 1.00 0.00 H new ATOM 0 HD3 LYS C 4 5.951 6.427 -3.107 1.00 0.00 H new ATOM 0 HE2 LYS C 4 6.779 5.168 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS C 4 5.294 5.530 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 7.056 7.050 -6.563 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 5.810 7.897 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 7.249 7.545 -4.950 1.00 0.00 H new ATOM 1822 N VAL C 5 4.927 1.136 -4.570 1.00 0.00 N ATOM 1823 CA VAL C 5 5.336 0.335 -5.721 1.00 0.00 C ATOM 1824 C VAL C 5 4.509 0.671 -6.958 1.00 0.00 C ATOM 1825 O VAL C 5 3.279 0.693 -6.909 1.00 0.00 O ATOM 1826 CB VAL C 5 5.207 -1.172 -5.431 1.00 0.00 C ATOM 1827 CG1 VAL C 5 5.844 -1.986 -6.546 1.00 0.00 C ATOM 1828 CG2 VAL C 5 5.832 -1.515 -4.087 1.00 0.00 C ATOM 0 H VAL C 5 3.922 1.296 -4.501 1.00 0.00 H new ATOM 0 HA VAL C 5 6.381 0.577 -5.912 1.00 0.00 H new ATOM 0 HB VAL C 5 4.148 -1.424 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL C 5 5.743 -3.048 -6.324 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.345 -1.764 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL C 5 6.901 -1.730 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL C 5 5.730 -2.584 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL C 5 6.889 -1.247 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.325 -0.960 -3.298 1.00 0.00 H new ATOM 1838 N ILE C 6 5.196 0.926 -8.069 1.00 0.00 N ATOM 1839 CA ILE C 6 4.532 1.255 -9.326 1.00 0.00 C ATOM 1840 C ILE C 6 4.363 0.019 -10.205 1.00 0.00 C ATOM 1841 O ILE C 6 5.341 -0.645 -10.549 1.00 0.00 O ATOM 1842 CB ILE C 6 5.318 2.321 -10.114 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.710 3.484 -9.203 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.496 2.818 -11.295 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.591 4.511 -9.881 1.00 0.00 C ATOM 0 H ILE C 6 6.214 0.911 -8.123 1.00 0.00 H new ATOM 0 HA ILE C 6 3.550 1.650 -9.066 1.00 0.00 H new ATOM 0 HB ILE C 6 6.232 1.865 -10.496 1.00 0.00 H new ATOM 0 HG12 ILE C 6 4.805 3.974 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE C 6 6.230 3.091 -8.329 1.00 0.00 H new ATOM 0 HG21 ILE C 6 5.064 3.570 -11.842 1.00 0.00 H new ATOM 0 HG22 ILE C 6 4.268 1.983 -11.957 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.567 3.257 -10.932 1.00 0.00 H new ATOM 0 HD11 ILE C 6 6.830 5.307 -9.176 1.00 0.00 H new ATOM 0 HD12 ILE C 6 7.512 4.035 -10.217 1.00 0.00 H new ATOM 0 HD13 ILE C 6 6.066 4.931 -10.739 1.00 0.00 H new ATOM 1857 N LEU C 7 3.123 -0.277 -10.581 1.00 0.00 N ATOM 1858 CA LEU C 7 2.832 -1.424 -11.437 1.00 0.00 C ATOM 1859 C LEU C 7 1.858 -1.020 -12.541 1.00 0.00 C ATOM 1860 O LEU C 7 0.701 -0.696 -12.268 1.00 0.00 O ATOM 1861 CB LEU C 7 2.247 -2.578 -10.615 1.00 0.00 C ATOM 1862 CG LEU C 7 3.253 -3.658 -10.204 1.00 0.00 C ATOM 1863 CD1 LEU C 7 3.876 -3.317 -8.859 1.00 0.00 C ATOM 1864 CD2 LEU C 7 2.582 -5.026 -10.153 1.00 0.00 C ATOM 0 H LEU C 7 2.302 0.262 -10.306 1.00 0.00 H new ATOM 0 HA LEU C 7 3.764 -1.762 -11.891 1.00 0.00 H new ATOM 0 HB2 LEU C 7 1.790 -2.167 -9.715 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.450 -3.047 -11.192 1.00 0.00 H new ATOM 0 HG LEU C 7 4.045 -3.695 -10.952 1.00 0.00 H new ATOM 0 HD11 LEU C 7 4.588 -4.094 -8.581 1.00 0.00 H new ATOM 0 HD12 LEU C 7 4.392 -2.359 -8.929 1.00 0.00 H new ATOM 0 HD13 LEU C 7 3.095 -3.253 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU C 7 3.313 -5.779 -9.859 1.00 0.00 H new ATOM 0 HD22 LEU C 7 1.770 -5.006 -9.426 1.00 0.00 H new ATOM 0 HD23 LEU C 7 2.183 -5.272 -11.137 1.00 0.00 H new ATOM 2079 N ASP C 22 1.277 -5.669 -14.061 1.00 0.00 N ATOM 2080 CA ASP C 22 -0.145 -5.371 -14.206 1.00 0.00 C ATOM 2081 C ASP C 22 -0.806 -5.141 -12.855 1.00 0.00 C ATOM 2082 O ASP C 22 -0.483 -5.797 -11.866 1.00 0.00 O ATOM 2083 CB ASP C 22 -0.848 -6.515 -14.936 1.00 0.00 C ATOM 2084 CG ASP C 22 -2.296 -6.197 -15.252 1.00 0.00 C ATOM 2085 OD1 ASP C 22 -3.092 -6.044 -14.302 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -2.635 -6.103 -16.451 1.00 0.00 O ATOM 0 HA ASP C 22 -0.236 -4.454 -14.789 1.00 0.00 H new ATOM 0 HB2 ASP C 22 -0.316 -6.732 -15.862 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -0.802 -7.416 -14.324 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.735 -4.199 -12.831 1.00 0.00 N ATOM 2092 CA ALA C 23 -2.464 -3.859 -11.619 1.00 0.00 C ATOM 2093 C ALA C 23 -2.992 -5.110 -10.914 1.00 0.00 C ATOM 2094 O ALA C 23 -2.879 -5.242 -9.695 1.00 0.00 O ATOM 2095 CB ALA C 23 -3.600 -2.917 -11.971 1.00 0.00 C ATOM 0 H ALA C 23 -2.005 -3.650 -13.647 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.784 -3.365 -10.925 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -4.151 -2.658 -11.067 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -3.195 -2.011 -12.421 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -4.271 -3.405 -12.678 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.565 -6.025 -11.691 1.00 0.00 N ATOM 2102 CA ALA C 24 -4.107 -7.267 -11.148 1.00 0.00 C ATOM 2103 C ALA C 24 -3.000 -8.169 -10.611 1.00 0.00 C ATOM 2104 O ALA C 24 -3.222 -8.962 -9.693 1.00 0.00 O ATOM 2105 CB ALA C 24 -4.917 -7.997 -12.208 1.00 0.00 C ATOM 0 H ALA C 24 -3.666 -5.929 -12.701 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.762 -7.011 -10.315 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.315 -8.921 -11.789 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.741 -7.363 -12.537 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.277 -8.230 -13.059 1.00 0.00 H new ATOM 2111 N THR C 25 -1.808 -8.047 -11.187 1.00 0.00 N ATOM 2112 CA THR C 25 -0.666 -8.854 -10.767 1.00 0.00 C ATOM 2113 C THR C 25 -0.319 -8.567 -9.311 1.00 0.00 C ATOM 2114 O THR C 25 -0.015 -9.478 -8.540 1.00 0.00 O ATOM 2115 CB THR C 25 0.542 -8.562 -11.664 1.00 0.00 C ATOM 2116 OG1 THR C 25 0.262 -8.908 -13.008 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.797 -9.302 -11.254 1.00 0.00 C ATOM 0 H THR C 25 -1.607 -7.397 -11.947 1.00 0.00 H new ATOM 0 HA THR C 25 -0.930 -9.907 -10.860 1.00 0.00 H new ATOM 0 HB THR C 25 0.723 -7.493 -11.556 1.00 0.00 H new ATOM 0 HG1 THR C 25 1.044 -8.713 -13.566 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.609 -9.046 -11.934 1.00 0.00 H new ATOM 0 HG22 THR C 25 2.071 -9.018 -10.238 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.616 -10.376 -11.294 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.388 -7.296 -8.940 1.00 0.00 N ATOM 2126 CA PHE C 26 -0.102 -6.881 -7.574 1.00 0.00 C ATOM 2127 C PHE C 26 -1.160 -7.416 -6.613 1.00 0.00 C ATOM 2128 O PHE C 26 -0.840 -7.987 -5.571 1.00 0.00 O ATOM 2129 CB PHE C 26 -0.039 -5.355 -7.479 1.00 0.00 C ATOM 2130 CG PHE C 26 0.697 -4.863 -6.266 1.00 0.00 C ATOM 2131 CD1 PHE C 26 2.077 -4.960 -6.192 1.00 0.00 C ATOM 2132 CD2 PHE C 26 0.010 -4.307 -5.200 1.00 0.00 C ATOM 2133 CE1 PHE C 26 2.758 -4.510 -5.077 1.00 0.00 C ATOM 2134 CE2 PHE C 26 0.685 -3.855 -4.082 1.00 0.00 C ATOM 2135 CZ PHE C 26 2.062 -3.957 -4.021 1.00 0.00 C ATOM 0 H PHE C 26 -0.640 -6.533 -9.568 1.00 0.00 H new ATOM 0 HA PHE C 26 0.867 -7.294 -7.293 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.446 -4.962 -8.373 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -1.054 -4.957 -7.466 1.00 0.00 H new ATOM 0 HD1 PHE C 26 2.627 -5.392 -7.015 1.00 0.00 H new ATOM 0 HD2 PHE C 26 -1.066 -4.226 -5.243 1.00 0.00 H new ATOM 0 HE1 PHE C 26 3.834 -4.591 -5.032 1.00 0.00 H new ATOM 0 HE2 PHE C 26 0.137 -3.423 -3.257 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.592 -3.605 -3.149 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.423 -7.211 -6.969 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.545 -7.649 -6.143 1.00 0.00 C ATOM 2147 C GLU C 27 -3.490 -9.147 -5.843 1.00 0.00 C ATOM 2148 O GLU C 27 -3.567 -9.557 -4.685 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.868 -7.310 -6.832 1.00 0.00 C ATOM 2150 CG GLU C 27 -5.096 -5.818 -7.013 1.00 0.00 C ATOM 2151 CD GLU C 27 -6.489 -5.497 -7.517 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -6.833 -5.939 -8.634 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -7.236 -4.804 -6.796 1.00 0.00 O ATOM 0 H GLU C 27 -2.698 -6.740 -7.831 1.00 0.00 H new ATOM 0 HA GLU C 27 -3.475 -7.118 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -4.894 -7.794 -7.808 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -5.689 -7.726 -6.248 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -4.932 -5.311 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -4.360 -5.424 -7.715 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.392 -9.959 -6.889 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.370 -11.411 -6.731 1.00 0.00 C ATOM 2162 C LYS C 28 -2.120 -11.899 -6.000 1.00 0.00 C ATOM 2163 O LYS C 28 -2.215 -12.681 -5.054 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.465 -12.089 -8.100 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.625 -13.599 -8.020 1.00 0.00 C ATOM 2166 CD LYS C 28 -4.092 -14.181 -9.346 1.00 0.00 C ATOM 2167 CE LYS C 28 -5.609 -14.215 -9.436 1.00 0.00 C ATOM 2168 NZ LYS C 28 -6.082 -14.233 -10.849 1.00 0.00 N ATOM 0 H LYS C 28 -3.326 -9.639 -7.855 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.232 -11.681 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.311 -11.671 -8.646 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.568 -11.857 -8.675 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -2.675 -14.052 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -4.343 -13.849 -7.239 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -3.691 -13.586 -10.167 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -3.697 -15.190 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -5.984 -15.097 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -6.022 -13.345 -8.926 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -7.122 -14.256 -10.867 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -5.746 -13.379 -11.338 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -5.709 -15.077 -11.329 1.00 0.00 H new ATOM 2182 N VAL C 29 -0.949 -11.451 -6.440 1.00 0.00 N ATOM 2183 CA VAL C 29 0.308 -11.862 -5.820 1.00 0.00 C ATOM 2184 C VAL C 29 0.403 -11.430 -4.358 1.00 0.00 C ATOM 2185 O VAL C 29 0.880 -12.184 -3.511 1.00 0.00 O ATOM 2186 CB VAL C 29 1.520 -11.297 -6.588 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.826 -11.734 -5.935 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.475 -11.731 -8.045 1.00 0.00 C ATOM 0 H VAL C 29 -0.843 -10.805 -7.222 1.00 0.00 H new ATOM 0 HA VAL C 29 0.323 -12.951 -5.861 1.00 0.00 H new ATOM 0 HB VAL C 29 1.472 -10.209 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.667 -11.324 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.860 -11.369 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.887 -12.822 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.337 -11.324 -8.573 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.496 -12.819 -8.101 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.559 -11.361 -8.507 1.00 0.00 H new ATOM 2198 N VAL C 30 -0.035 -10.208 -4.070 1.00 0.00 N ATOM 2199 CA VAL C 30 0.027 -9.681 -2.711 1.00 0.00 C ATOM 2200 C VAL C 30 -0.982 -10.351 -1.783 1.00 0.00 C ATOM 2201 O VAL C 30 -0.635 -10.737 -0.666 1.00 0.00 O ATOM 2202 CB VAL C 30 -0.173 -8.152 -2.683 1.00 0.00 C ATOM 2203 CG1 VAL C 30 -0.120 -7.620 -1.257 1.00 0.00 C ATOM 2204 CG2 VAL C 30 0.879 -7.468 -3.545 1.00 0.00 C ATOM 0 H VAL C 30 -0.435 -9.567 -4.756 1.00 0.00 H new ATOM 0 HA VAL C 30 1.028 -9.910 -2.345 1.00 0.00 H new ATOM 0 HB VAL C 30 -1.160 -7.930 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -0.264 -6.540 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.908 -8.086 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL C 30 0.850 -7.853 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL C 30 0.727 -6.389 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.872 -7.705 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.792 -7.820 -4.573 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.226 -10.499 -2.230 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.247 -11.132 -1.405 1.00 0.00 C ATOM 2216 C LYS C 31 -2.880 -12.581 -1.110 1.00 0.00 C ATOM 2217 O LYS C 31 -2.975 -13.038 0.027 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.608 -11.071 -2.102 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.783 -11.329 -1.172 1.00 0.00 C ATOM 2220 CD LYS C 31 -7.110 -11.035 -1.853 1.00 0.00 C ATOM 2221 CE LYS C 31 -8.278 -11.621 -1.076 1.00 0.00 C ATOM 2222 NZ LYS C 31 -9.518 -10.813 -1.244 1.00 0.00 N ATOM 0 H LYS C 31 -2.548 -10.193 -3.148 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.306 -10.589 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.728 -10.089 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.627 -11.804 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.765 -12.368 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.685 -10.709 -0.281 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -7.240 -9.957 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -7.101 -11.446 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -8.462 -12.642 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -8.020 -11.675 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -10.346 -11.442 -1.234 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.594 -10.128 -0.465 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -9.480 -10.304 -2.150 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.454 -13.297 -2.142 1.00 0.00 N ATOM 2237 CA GLN C 32 -2.066 -14.693 -1.992 1.00 0.00 C ATOM 2238 C GLN C 32 -0.864 -14.832 -1.063 1.00 0.00 C ATOM 2239 O GLN C 32 -0.859 -15.677 -0.168 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.751 -15.312 -3.355 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.516 -16.813 -3.299 1.00 0.00 C ATOM 2242 CD GLN C 32 -2.712 -17.569 -2.753 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -3.855 -17.289 -3.113 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -2.453 -18.534 -1.878 1.00 0.00 N ATOM 0 H GLN C 32 -2.368 -12.934 -3.092 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.906 -15.227 -1.548 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.575 -15.106 -4.038 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.866 -14.829 -3.769 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -1.285 -17.179 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -0.645 -17.018 -2.676 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -1.490 -18.732 -1.608 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -3.217 -19.077 -1.476 1.00 0.00 H new ATOM 2253 N PHE C 33 0.150 -13.994 -1.270 1.00 0.00 N ATOM 2254 CA PHE C 33 1.352 -14.015 -0.445 1.00 0.00 C ATOM 2255 C PHE C 33 1.082 -13.570 0.992 1.00 0.00 C ATOM 2256 O PHE C 33 1.533 -14.214 1.940 1.00 0.00 O ATOM 2257 CB PHE C 33 2.439 -13.165 -1.124 1.00 0.00 C ATOM 2258 CG PHE C 33 3.515 -12.638 -0.214 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.306 -13.484 0.546 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.748 -11.274 -0.152 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.302 -12.974 1.362 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.740 -10.760 0.658 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.518 -11.607 1.416 1.00 0.00 C ATOM 0 H PHE C 33 0.161 -13.289 -2.007 1.00 0.00 H new ATOM 0 HA PHE C 33 1.705 -15.043 -0.365 1.00 0.00 H new ATOM 0 HB2 PHE C 33 2.909 -13.764 -1.904 1.00 0.00 H new ATOM 0 HB3 PHE C 33 1.959 -12.320 -1.617 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.145 -14.551 0.502 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.145 -10.603 -0.746 1.00 0.00 H new ATOM 0 HE1 PHE C 33 5.909 -13.641 1.955 1.00 0.00 H new ATOM 0 HE2 PHE C 33 4.906 -9.694 0.698 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.294 -11.206 2.051 1.00 0.00 H new ATOM 2273 N PHE C 34 0.356 -12.469 1.157 1.00 0.00 N ATOM 2274 CA PHE C 34 0.050 -11.959 2.489 1.00 0.00 C ATOM 2275 C PHE C 34 -1.022 -12.783 3.209 1.00 0.00 C ATOM 2276 O PHE C 34 -0.964 -12.940 4.428 1.00 0.00 O ATOM 2277 CB PHE C 34 -0.316 -10.477 2.427 1.00 0.00 C ATOM 2278 CG PHE C 34 0.908 -9.611 2.362 1.00 0.00 C ATOM 2279 CD1 PHE C 34 1.558 -9.386 1.158 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.433 -9.051 3.517 1.00 0.00 C ATOM 2281 CE1 PHE C 34 2.709 -8.622 1.109 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.579 -8.281 3.473 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.219 -8.068 2.268 1.00 0.00 C ATOM 0 H PHE C 34 -0.029 -11.916 0.391 1.00 0.00 H new ATOM 0 HA PHE C 34 0.954 -12.061 3.089 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.941 -10.292 1.553 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.906 -10.210 3.304 1.00 0.00 H new ATOM 0 HD1 PHE C 34 1.161 -9.812 0.249 1.00 0.00 H new ATOM 0 HD2 PHE C 34 0.940 -9.219 4.463 1.00 0.00 H new ATOM 0 HE1 PHE C 34 3.209 -8.458 0.166 1.00 0.00 H new ATOM 0 HE2 PHE C 34 2.974 -7.846 4.379 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.117 -7.469 2.231 1.00 0.00 H new ATOM 2293 N ASN C 35 -1.983 -13.328 2.467 1.00 0.00 N ATOM 2294 CA ASN C 35 -3.027 -14.152 3.082 1.00 0.00 C ATOM 2295 C ASN C 35 -2.411 -15.308 3.874 1.00 0.00 C ATOM 2296 O ASN C 35 -2.969 -15.755 4.876 1.00 0.00 O ATOM 2297 CB ASN C 35 -4.001 -14.694 2.026 1.00 0.00 C ATOM 2298 CG ASN C 35 -5.079 -13.695 1.629 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -6.183 -14.088 1.250 1.00 0.00 O ATOM 2300 ND2 ASN C 35 -4.778 -12.404 1.716 1.00 0.00 N ATOM 0 H ASN C 35 -2.063 -13.219 1.456 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.586 -13.517 3.769 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.439 -14.983 1.138 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.476 -15.597 2.410 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -5.472 -11.700 1.465 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -3.853 -12.116 2.034 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.257 -15.777 3.414 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.542 -16.875 4.062 1.00 0.00 C ATOM 2309 C ASP C 36 -0.126 -16.523 5.494 1.00 0.00 C ATOM 2310 O ASP C 36 0.184 -17.409 6.291 1.00 0.00 O ATOM 2311 CB ASP C 36 0.692 -17.260 3.241 1.00 0.00 C ATOM 2312 CG ASP C 36 0.336 -18.082 2.016 1.00 0.00 C ATOM 2313 OD1 ASP C 36 -0.342 -19.119 2.174 1.00 0.00 O ATOM 2314 OD2 ASP C 36 0.734 -17.686 0.901 1.00 0.00 O ATOM 0 H ASP C 36 -0.790 -15.410 2.585 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.225 -17.723 4.114 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.215 -16.356 2.929 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.381 -17.826 3.868 1.00 0.00 H new ATOM 2319 N ASN C 37 -0.111 -15.231 5.814 1.00 0.00 N ATOM 2320 CA ASN C 37 0.279 -14.786 7.151 1.00 0.00 C ATOM 2321 C ASN C 37 -0.927 -14.349 7.984 1.00 0.00 C ATOM 2322 O ASN C 37 -0.857 -14.326 9.213 1.00 0.00 O ATOM 2323 CB ASN C 37 1.309 -13.657 7.071 1.00 0.00 C ATOM 2324 CG ASN C 37 0.740 -12.385 6.476 1.00 0.00 C ATOM 2325 OD1 ASN C 37 -0.210 -11.808 7.006 1.00 0.00 O ATOM 2326 ND2 ASN C 37 1.324 -11.940 5.371 1.00 0.00 N ATOM 0 H ASN C 37 -0.362 -14.479 5.172 1.00 0.00 H new ATOM 0 HA ASN C 37 0.733 -15.641 7.653 1.00 0.00 H new ATOM 0 HB2 ASN C 37 1.689 -13.447 8.071 1.00 0.00 H new ATOM 0 HB3 ASN C 37 2.157 -13.986 6.470 1.00 0.00 H new ATOM 0 HD21 ASN C 37 0.988 -11.086 4.925 1.00 0.00 H new ATOM 0 HD22 ASN C 37 2.109 -12.452 4.967 1.00 0.00 H new ATOM 2333 N GLY C 38 -2.035 -14.018 7.324 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.226 -13.611 8.055 1.00 0.00 C ATOM 2335 C GLY C 38 -3.855 -12.324 7.547 1.00 0.00 C ATOM 2336 O GLY C 38 -4.686 -11.729 8.233 1.00 0.00 O ATOM 0 H GLY C 38 -2.130 -14.024 6.308 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -3.965 -14.411 7.999 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -2.969 -13.487 9.107 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.475 -11.889 6.350 1.00 0.00 N ATOM 2341 CA VAL C 39 -4.032 -10.666 5.780 1.00 0.00 C ATOM 2342 C VAL C 39 -5.284 -10.968 4.959 1.00 0.00 C ATOM 2343 O VAL C 39 -5.360 -11.994 4.283 1.00 0.00 O ATOM 2344 CB VAL C 39 -3.009 -9.935 4.889 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.559 -8.592 4.430 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.693 -9.754 5.629 1.00 0.00 C ATOM 0 H VAL C 39 -2.790 -12.360 5.760 1.00 0.00 H new ATOM 0 HA VAL C 39 -4.292 -10.018 6.617 1.00 0.00 H new ATOM 0 HB VAL C 39 -2.824 -10.545 4.005 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.821 -8.092 3.802 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.474 -8.749 3.859 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.776 -7.971 5.299 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -0.982 -9.236 4.985 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.861 -9.166 6.531 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.292 -10.730 5.902 1.00 0.00 H new ATOM 2356 N ASP C 40 -6.265 -10.072 5.026 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.511 -10.250 4.289 1.00 0.00 C ATOM 2358 C ASP C 40 -8.186 -8.908 4.022 1.00 0.00 C ATOM 2359 O ASP C 40 -7.680 -7.856 4.414 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.461 -11.163 5.068 1.00 0.00 C ATOM 2361 CG ASP C 40 -8.094 -12.628 4.938 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -7.826 -13.074 3.802 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -8.073 -13.329 5.970 1.00 0.00 O ATOM 0 H ASP C 40 -6.221 -9.218 5.582 1.00 0.00 H new ATOM 0 HA ASP C 40 -7.273 -10.712 3.331 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.449 -10.881 6.121 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.479 -11.014 4.709 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.334 -8.953 3.352 1.00 0.00 N ATOM 2369 CA GLY C 41 -10.062 -7.737 3.041 1.00 0.00 C ATOM 2370 C GLY C 41 -10.220 -7.525 1.547 1.00 0.00 C ATOM 2371 O GLY C 41 -10.383 -8.484 0.793 1.00 0.00 O ATOM 0 H GLY C 41 -9.773 -9.811 3.019 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -11.047 -7.777 3.506 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.540 -6.883 3.473 1.00 0.00 H new ATOM 2375 N GLU C 42 -10.174 -6.266 1.118 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.315 -5.939 -0.296 1.00 0.00 C ATOM 2377 C GLU C 42 -9.518 -4.688 -0.649 1.00 0.00 C ATOM 2378 O GLU C 42 -9.233 -3.855 0.213 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.789 -5.733 -0.648 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.565 -7.030 -0.798 1.00 0.00 C ATOM 2381 CD GLU C 42 -13.796 -6.874 -1.668 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -14.670 -6.053 -1.319 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -13.887 -7.573 -2.699 1.00 0.00 O ATOM 0 H GLU C 42 -10.041 -5.459 1.728 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.922 -6.774 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -12.258 -5.126 0.127 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.856 -5.169 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -11.914 -7.791 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -12.864 -7.387 0.188 1.00 0.00 H new ATOM 2390 N TRP C 43 -9.158 -4.563 -1.922 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.393 -3.415 -2.393 1.00 0.00 C ATOM 2392 C TRP C 43 -9.262 -2.168 -2.452 1.00 0.00 C ATOM 2393 O TRP C 43 -10.252 -2.118 -3.181 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.791 -3.704 -3.768 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.643 -4.664 -3.715 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.683 -6.005 -3.972 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.285 -4.359 -3.378 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.431 -6.551 -3.816 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.556 -5.562 -3.453 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.613 -3.186 -3.023 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -3.192 -5.623 -3.183 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -3.258 -3.248 -2.756 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.560 -4.460 -2.838 1.00 0.00 C ATOM 0 H TRP C 43 -9.384 -5.244 -2.647 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.584 -3.234 -1.685 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.566 -4.108 -4.420 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.455 -2.769 -4.215 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.568 -6.555 -4.256 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -5.192 -7.534 -3.949 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -5.143 -2.247 -2.958 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.651 -6.556 -3.244 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.729 -2.348 -2.480 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.501 -4.476 -2.624 1.00 0.00 H new ATOM 2414 N THR C 44 -8.879 -1.161 -1.677 1.00 0.00 N ATOM 2415 CA THR C 44 -9.616 0.090 -1.636 1.00 0.00 C ATOM 2416 C THR C 44 -8.803 1.215 -2.260 1.00 0.00 C ATOM 2417 O THR C 44 -7.594 1.320 -2.050 1.00 0.00 O ATOM 2418 CB THR C 44 -9.983 0.447 -0.196 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.818 0.638 0.587 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.828 -0.607 0.485 1.00 0.00 C ATOM 0 H THR C 44 -8.061 -1.189 -1.069 1.00 0.00 H new ATOM 0 HA THR C 44 -10.532 -0.038 -2.212 1.00 0.00 H new ATOM 0 HB THR C 44 -10.565 1.366 -0.266 1.00 0.00 H new ATOM 0 HG1 THR C 44 -8.033 0.672 0.002 1.00 0.00 H new ATOM 0 HG21 THR C 44 -11.053 -0.291 1.504 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.758 -0.740 -0.067 1.00 0.00 H new ATOM 0 HG23 THR C 44 -10.283 -1.550 0.510 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.486 2.063 -3.012 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.846 3.200 -3.658 1.00 0.00 C ATOM 2430 C TYR C 45 -8.473 4.260 -2.627 1.00 0.00 C ATOM 2431 O TYR C 45 -9.223 4.510 -1.684 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.763 3.801 -4.724 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.744 3.046 -6.034 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.741 3.273 -6.969 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.724 2.110 -6.336 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.716 2.588 -8.169 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.705 1.420 -7.535 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.699 1.663 -8.447 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.678 0.980 -9.641 1.00 0.00 O ATOM 0 H TYR C 45 -10.487 1.986 -3.191 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.935 2.848 -4.142 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.784 3.824 -4.342 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.467 4.834 -4.905 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.969 3.997 -6.754 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.513 1.918 -5.624 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -7.930 2.777 -8.885 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.474 0.695 -7.756 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.440 0.365 -9.680 1.00 0.00 H new ATOM 2449 N ASP C 46 -7.312 4.877 -2.809 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.847 5.906 -1.887 1.00 0.00 C ATOM 2451 C ASP C 46 -7.670 7.181 -2.044 1.00 0.00 C ATOM 2452 O ASP C 46 -8.320 7.388 -3.069 1.00 0.00 O ATOM 2453 CB ASP C 46 -5.370 6.221 -2.138 1.00 0.00 C ATOM 2454 CG ASP C 46 -4.486 4.996 -2.031 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -4.904 3.918 -2.504 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -3.374 5.115 -1.475 1.00 0.00 O ATOM 0 H ASP C 46 -6.677 4.684 -3.584 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.967 5.527 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -5.259 6.659 -3.130 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -5.035 6.970 -1.420 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.639 8.033 -1.026 1.00 0.00 N ATOM 2462 CA ASP C 47 -8.383 9.287 -1.059 1.00 0.00 C ATOM 2463 C ASP C 47 -7.811 10.220 -2.123 1.00 0.00 C ATOM 2464 O ASP C 47 -6.595 10.343 -2.265 1.00 0.00 O ATOM 2465 CB ASP C 47 -8.344 9.967 0.310 1.00 0.00 C ATOM 2466 CG ASP C 47 -9.326 9.352 1.290 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -10.511 9.744 1.268 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -8.908 8.478 2.078 1.00 0.00 O ATOM 0 H ASP C 47 -7.108 7.879 -0.169 1.00 0.00 H new ATOM 0 HA ASP C 47 -9.420 9.064 -1.311 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -7.336 9.898 0.718 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -8.568 11.027 0.192 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.696 10.863 -2.879 1.00 0.00 N ATOM 2474 CA ALA C 48 -8.282 11.772 -3.943 1.00 0.00 C ATOM 2475 C ALA C 48 -7.343 12.861 -3.431 1.00 0.00 C ATOM 2476 O ALA C 48 -7.553 13.428 -2.359 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.502 12.396 -4.602 1.00 0.00 C ATOM 0 H ALA C 48 -9.706 10.771 -2.774 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.732 11.187 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -9.181 13.072 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -10.128 11.611 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -10.072 12.953 -3.858 1.00 0.00 H new ATOM 2483 N THR C 49 -6.310 13.147 -4.218 1.00 0.00 N ATOM 2484 CA THR C 49 -5.327 14.168 -3.870 1.00 0.00 C ATOM 2485 C THR C 49 -5.178 15.174 -5.008 1.00 0.00 C ATOM 2486 O THR C 49 -5.476 14.864 -6.162 1.00 0.00 O ATOM 2487 CB THR C 49 -3.972 13.528 -3.566 1.00 0.00 C ATOM 2488 OG1 THR C 49 -4.098 12.539 -2.561 1.00 0.00 O ATOM 2489 CG2 THR C 49 -2.930 14.525 -3.106 1.00 0.00 C ATOM 0 H THR C 49 -6.131 12.682 -5.108 1.00 0.00 H new ATOM 0 HA THR C 49 -5.679 14.689 -2.979 1.00 0.00 H new ATOM 0 HB THR C 49 -3.641 13.091 -4.508 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.221 12.141 -2.382 1.00 0.00 H new ATOM 0 HG21 THR C 49 -1.992 14.006 -2.907 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.773 15.272 -3.884 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.273 15.016 -2.195 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.718 16.377 -4.681 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.537 17.418 -5.687 1.00 0.00 C ATOM 2499 C LYS C 50 -3.109 17.954 -5.673 1.00 0.00 C ATOM 2500 O LYS C 50 -2.666 18.550 -4.690 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.525 18.561 -5.448 1.00 0.00 C ATOM 2502 CG LYS C 50 -5.972 19.256 -6.724 1.00 0.00 C ATOM 2503 CD LYS C 50 -7.350 19.875 -6.566 1.00 0.00 C ATOM 2504 CE LYS C 50 -8.432 18.812 -6.469 1.00 0.00 C ATOM 2505 NZ LYS C 50 -9.791 19.379 -6.689 1.00 0.00 N ATOM 0 H LYS C 50 -4.465 16.655 -3.733 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.727 16.977 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -6.401 18.170 -4.931 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -5.065 19.295 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -5.252 20.030 -6.989 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -5.986 18.539 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -7.370 20.498 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -7.556 20.528 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -8.241 18.032 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -8.390 18.340 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -10.314 19.385 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -9.707 20.352 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -10.302 18.797 -7.383 1.00 0.00 H new ATOM 2519 N THR C 51 -2.396 17.742 -6.774 1.00 0.00 N ATOM 2520 CA THR C 51 -1.019 18.206 -6.902 1.00 0.00 C ATOM 2521 C THR C 51 -0.945 19.399 -7.853 1.00 0.00 C ATOM 2522 O THR C 51 -1.444 19.341 -8.977 1.00 0.00 O ATOM 2523 CB THR C 51 -0.123 17.063 -7.394 1.00 0.00 C ATOM 2524 OG1 THR C 51 -0.057 16.034 -6.422 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.296 17.492 -7.698 1.00 0.00 C ATOM 0 H THR C 51 -2.751 17.250 -7.594 1.00 0.00 H new ATOM 0 HA THR C 51 -0.663 18.529 -5.924 1.00 0.00 H new ATOM 0 HB THR C 51 -0.582 16.715 -8.319 1.00 0.00 H new ATOM 0 HG1 THR C 51 0.517 15.310 -6.750 1.00 0.00 H new ATOM 0 HG21 THR C 51 1.871 16.632 -8.041 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.287 18.255 -8.476 1.00 0.00 H new ATOM 0 HG23 THR C 51 1.754 17.899 -6.796 1.00 0.00 H new ATOM 2533 N PHE C 52 -0.323 20.485 -7.395 1.00 0.00 N ATOM 2534 CA PHE C 52 -0.186 21.691 -8.206 1.00 0.00 C ATOM 2535 C PHE C 52 0.971 21.577 -9.192 1.00 0.00 C ATOM 2536 O PHE C 52 2.133 21.501 -8.792 1.00 0.00 O ATOM 2537 CB PHE C 52 0.019 22.915 -7.307 1.00 0.00 C ATOM 2538 CG PHE C 52 0.046 24.215 -8.061 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -1.129 24.885 -8.357 1.00 0.00 C ATOM 2540 CD2 PHE C 52 1.250 24.765 -8.472 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -1.106 26.081 -9.050 1.00 0.00 C ATOM 2542 CE2 PHE C 52 1.279 25.961 -9.166 1.00 0.00 C ATOM 2543 CZ PHE C 52 0.100 26.620 -9.455 1.00 0.00 C ATOM 0 H PHE C 52 0.094 20.553 -6.466 1.00 0.00 H new ATOM 0 HA PHE C 52 -1.107 21.809 -8.777 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.780 22.950 -6.567 1.00 0.00 H new ATOM 0 HB3 PHE C 52 0.955 22.802 -6.760 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -2.075 24.468 -8.043 1.00 0.00 H new ATOM 0 HD2 PHE C 52 2.175 24.254 -8.248 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -2.030 26.593 -9.275 1.00 0.00 H new ATOM 0 HE2 PHE C 52 2.223 26.380 -9.482 1.00 0.00 H new ATOM 0 HZ PHE C 52 0.121 27.554 -9.996 1.00 0.00 H new ATOM 2553 N THR C 53 0.653 21.581 -10.482 1.00 0.00 N ATOM 2554 CA THR C 53 1.676 21.494 -11.518 1.00 0.00 C ATOM 2555 C THR C 53 2.123 22.889 -11.941 1.00 0.00 C ATOM 2556 O THR C 53 1.304 23.718 -12.339 1.00 0.00 O ATOM 2557 CB THR C 53 1.152 20.720 -12.729 1.00 0.00 C ATOM 2558 OG1 THR C 53 0.725 19.424 -12.350 1.00 0.00 O ATOM 2559 CG2 THR C 53 2.182 20.560 -13.827 1.00 0.00 C ATOM 0 H THR C 53 -0.302 21.643 -10.835 1.00 0.00 H new ATOM 0 HA THR C 53 2.533 20.959 -11.108 1.00 0.00 H new ATOM 0 HB THR C 53 0.322 21.313 -13.113 1.00 0.00 H new ATOM 0 HG1 THR C 53 0.034 19.496 -11.659 1.00 0.00 H new ATOM 0 HG21 THR C 53 1.746 20.002 -14.656 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.497 21.543 -14.177 1.00 0.00 H new ATOM 0 HG23 THR C 53 3.045 20.019 -13.440 1.00 0.00 H new ATOM 2567 N VAL C 54 3.424 23.150 -11.848 1.00 0.00 N ATOM 2568 CA VAL C 54 3.967 24.452 -12.217 1.00 0.00 C ATOM 2569 C VAL C 54 3.935 24.657 -13.727 1.00 0.00 C ATOM 2570 O VAL C 54 3.907 23.694 -14.494 1.00 0.00 O ATOM 2571 CB VAL C 54 5.417 24.630 -11.724 1.00 0.00 C ATOM 2572 CG1 VAL C 54 5.831 26.090 -11.809 1.00 0.00 C ATOM 2573 CG2 VAL C 54 5.572 24.109 -10.303 1.00 0.00 C ATOM 0 H VAL C 54 4.119 22.479 -11.521 1.00 0.00 H new ATOM 0 HA VAL C 54 3.334 25.196 -11.733 1.00 0.00 H new ATOM 0 HB VAL C 54 6.073 24.048 -12.371 1.00 0.00 H new ATOM 0 HG11 VAL C 54 6.857 26.198 -11.457 1.00 0.00 H new ATOM 0 HG12 VAL C 54 5.764 26.427 -12.843 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.169 26.693 -11.187 1.00 0.00 H new ATOM 0 HG21 VAL C 54 6.603 24.245 -9.976 1.00 0.00 H new ATOM 0 HG22 VAL C 54 4.905 24.659 -9.639 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.319 23.049 -10.274 1.00 0.00 H new ATOM 2583 N THR C 55 3.939 25.918 -14.145 1.00 0.00 N ATOM 2584 CA THR C 55 3.912 26.255 -15.564 1.00 0.00 C ATOM 2585 C THR C 55 4.670 27.550 -15.830 1.00 0.00 C ATOM 2586 O THR C 55 5.735 27.544 -16.448 1.00 0.00 O ATOM 2587 CB THR C 55 2.467 26.386 -16.051 1.00 0.00 C ATOM 2588 OG1 THR C 55 1.736 25.204 -15.777 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.359 26.659 -17.535 1.00 0.00 C ATOM 0 H THR C 55 3.961 26.725 -13.521 1.00 0.00 H new ATOM 0 HA THR C 55 4.401 25.450 -16.113 1.00 0.00 H new ATOM 0 HB THR C 55 2.056 27.238 -15.510 1.00 0.00 H new ATOM 0 HG1 THR C 55 0.869 25.243 -16.231 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.309 26.741 -17.814 1.00 0.00 H new ATOM 0 HG22 THR C 55 2.871 27.592 -17.772 1.00 0.00 H new ATOM 0 HG23 THR C 55 2.820 25.842 -18.090 1.00 0.00 H new ATOM 2597 N GLU C 56 4.111 28.656 -15.358 1.00 0.00 N ATOM 2598 CA GLU C 56 4.727 29.965 -15.540 1.00 0.00 C ATOM 2599 C GLU C 56 4.881 30.295 -17.021 1.00 0.00 C ATOM 2600 O GLU C 56 5.464 31.355 -17.333 1.00 0.00 O ATOM 2601 CB GLU C 56 6.093 30.010 -14.851 1.00 0.00 C ATOM 2602 CG GLU C 56 6.012 29.921 -13.336 1.00 0.00 C ATOM 2603 CD GLU C 56 7.371 29.740 -12.689 1.00 0.00 C ATOM 2604 OE1 GLU C 56 8.371 30.223 -13.262 1.00 0.00 O ATOM 2605 OE2 GLU C 56 7.437 29.115 -11.609 1.00 0.00 O ATOM 2606 OXT GLU C 56 4.419 29.490 -17.857 1.00 0.00 O ATOM 0 H GLU C 56 3.230 28.673 -14.845 1.00 0.00 H new ATOM 0 HA GLU C 56 4.074 30.711 -15.087 1.00 0.00 H new ATOM 0 HB2 GLU C 56 6.706 29.189 -15.223 1.00 0.00 H new ATOM 0 HB3 GLU C 56 6.599 30.935 -15.126 1.00 0.00 H new ATOM 0 HG2 GLU C 56 5.546 30.826 -12.947 1.00 0.00 H new ATOM 0 HG3 GLU C 56 5.368 29.087 -13.059 1.00 0.00 H new ATOM 2614 N MET D 1 0.701 2.551 -12.162 1.00 0.00 N ATOM 2615 CA MET D 1 -0.171 2.436 -10.965 1.00 0.00 C ATOM 2616 C MET D 1 0.657 2.348 -9.689 1.00 0.00 C ATOM 2617 O MET D 1 1.477 1.443 -9.531 1.00 0.00 O ATOM 2618 CB MET D 1 -1.049 1.190 -11.120 1.00 0.00 C ATOM 2619 CG MET D 1 -2.484 1.393 -10.660 1.00 0.00 C ATOM 2620 SD MET D 1 -2.727 0.951 -8.930 1.00 0.00 S ATOM 2621 CE MET D 1 -2.917 2.572 -8.192 1.00 0.00 C ATOM 0 H1 MET D 1 0.202 3.079 -12.906 1.00 0.00 H new ATOM 0 H2 MET D 1 1.575 3.054 -11.908 1.00 0.00 H new ATOM 0 H3 MET D 1 0.938 1.601 -12.512 1.00 0.00 H new ATOM 0 HA MET D 1 -0.796 3.326 -10.887 1.00 0.00 H new ATOM 0 HB2 MET D 1 -1.052 0.886 -12.167 1.00 0.00 H new ATOM 0 HB3 MET D 1 -0.607 0.372 -10.552 1.00 0.00 H new ATOM 0 HG2 MET D 1 -2.765 2.436 -10.807 1.00 0.00 H new ATOM 0 HG3 MET D 1 -3.149 0.793 -11.281 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.040 2.469 -7.114 1.00 0.00 H new ATOM 0 HE2 MET D 1 -2.032 3.173 -8.400 1.00 0.00 H new ATOM 0 HE3 MET D 1 -3.795 3.062 -8.612 1.00 0.00 H new ATOM 2633 N GLN D 2 0.427 3.284 -8.775 1.00 0.00 N ATOM 2634 CA GLN D 2 1.148 3.300 -7.505 1.00 0.00 C ATOM 2635 C GLN D 2 0.373 2.519 -6.452 1.00 0.00 C ATOM 2636 O GLN D 2 -0.804 2.787 -6.208 1.00 0.00 O ATOM 2637 CB GLN D 2 1.399 4.735 -7.037 1.00 0.00 C ATOM 2638 CG GLN D 2 0.133 5.536 -6.785 1.00 0.00 C ATOM 2639 CD GLN D 2 0.414 7.015 -6.599 1.00 0.00 C ATOM 2640 OE1 GLN D 2 1.091 7.415 -5.653 1.00 0.00 O ATOM 2641 NE2 GLN D 2 -0.104 7.836 -7.505 1.00 0.00 N ATOM 0 H GLN D 2 -0.250 4.039 -8.888 1.00 0.00 H new ATOM 0 HA GLN D 2 2.116 2.822 -7.652 1.00 0.00 H new ATOM 0 HB2 GLN D 2 1.988 4.709 -6.120 1.00 0.00 H new ATOM 0 HB3 GLN D 2 1.999 5.251 -7.787 1.00 0.00 H new ATOM 0 HG2 GLN D 2 -0.552 5.401 -7.622 1.00 0.00 H new ATOM 0 HG3 GLN D 2 -0.368 5.149 -5.898 1.00 0.00 H new ATOM 0 HE21 GLN D 2 -0.660 7.462 -8.274 1.00 0.00 H new ATOM 0 HE22 GLN D 2 0.054 8.841 -7.432 1.00 0.00 H new ATOM 2650 N TYR D 3 1.032 1.536 -5.849 1.00 0.00 N ATOM 2651 CA TYR D 3 0.393 0.699 -4.841 1.00 0.00 C ATOM 2652 C TYR D 3 0.919 0.988 -3.439 1.00 0.00 C ATOM 2653 O TYR D 3 2.127 1.077 -3.216 1.00 0.00 O ATOM 2654 CB TYR D 3 0.599 -0.777 -5.179 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.352 -1.292 -6.237 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -1.598 -1.800 -5.890 1.00 0.00 C ATOM 2657 CD2 TYR D 3 -0.005 -1.269 -7.582 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -2.469 -2.271 -6.853 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -0.872 -1.736 -8.551 1.00 0.00 C ATOM 2660 CZ TYR D 3 -2.103 -2.236 -8.181 1.00 0.00 C ATOM 2661 OH TYR D 3 -2.969 -2.703 -9.143 1.00 0.00 O ATOM 0 H TYR D 3 2.006 1.300 -6.040 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.671 0.933 -4.849 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.624 -0.924 -5.520 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.477 -1.370 -4.272 1.00 0.00 H new ATOM 0 HD1 TYR D 3 -1.890 -1.827 -4.851 1.00 0.00 H new ATOM 0 HD2 TYR D 3 0.959 -0.879 -7.875 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -3.433 -2.665 -6.566 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -0.587 -1.710 -9.592 1.00 0.00 H new ATOM 0 HH TYR D 3 -3.027 -3.680 -9.085 1.00 0.00 H new ATOM 2671 N LYS D 4 -0.014 1.123 -2.503 1.00 0.00 N ATOM 2672 CA LYS D 4 0.319 1.392 -1.108 1.00 0.00 C ATOM 2673 C LYS D 4 0.099 0.147 -0.254 1.00 0.00 C ATOM 2674 O LYS D 4 -0.980 -0.447 -0.271 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.527 2.549 -0.571 1.00 0.00 C ATOM 2676 CG LYS D 4 0.214 3.437 0.418 1.00 0.00 C ATOM 2677 CD LYS D 4 -0.747 4.311 1.209 1.00 0.00 C ATOM 2678 CE LYS D 4 -1.328 3.563 2.398 1.00 0.00 C ATOM 2679 NZ LYS D 4 -2.267 4.411 3.184 1.00 0.00 N ATOM 0 H LYS D 4 -1.015 1.050 -2.687 1.00 0.00 H new ATOM 0 HA LYS D 4 1.372 1.670 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -0.868 3.158 -1.408 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -1.416 2.144 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS D 4 0.792 2.817 1.103 1.00 0.00 H new ATOM 0 HG3 LYS D 4 0.924 4.067 -0.118 1.00 0.00 H new ATOM 0 HD2 LYS D 4 -0.227 5.203 1.558 1.00 0.00 H new ATOM 0 HD3 LYS D 4 -1.555 4.647 0.559 1.00 0.00 H new ATOM 0 HE2 LYS D 4 -1.850 2.673 2.047 1.00 0.00 H new ATOM 0 HE3 LYS D 4 -0.518 3.223 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 -2.641 3.864 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 -1.763 5.248 3.541 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 -3.054 4.714 2.575 1.00 0.00 H new ATOM 2693 N VAL D 5 1.131 -0.250 0.486 1.00 0.00 N ATOM 2694 CA VAL D 5 1.046 -1.432 1.339 1.00 0.00 C ATOM 2695 C VAL D 5 1.782 -1.226 2.659 1.00 0.00 C ATOM 2696 O VAL D 5 2.941 -0.809 2.677 1.00 0.00 O ATOM 2697 CB VAL D 5 1.624 -2.675 0.635 1.00 0.00 C ATOM 2698 CG1 VAL D 5 1.322 -3.931 1.437 1.00 0.00 C ATOM 2699 CG2 VAL D 5 1.077 -2.792 -0.779 1.00 0.00 C ATOM 0 H VAL D 5 2.032 0.227 0.512 1.00 0.00 H new ATOM 0 HA VAL D 5 -0.013 -1.592 1.542 1.00 0.00 H new ATOM 0 HB VAL D 5 2.706 -2.563 0.572 1.00 0.00 H new ATOM 0 HG11 VAL D 5 1.738 -4.799 0.925 1.00 0.00 H new ATOM 0 HG12 VAL D 5 1.769 -3.846 2.428 1.00 0.00 H new ATOM 0 HG13 VAL D 5 0.243 -4.050 1.534 1.00 0.00 H new ATOM 0 HG21 VAL D 5 1.497 -3.676 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL D 5 -0.009 -2.880 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL D 5 1.350 -1.904 -1.349 1.00 0.00 H new ATOM 2709 N ILE D 6 1.102 -1.528 3.762 1.00 0.00 N ATOM 2710 CA ILE D 6 1.688 -1.384 5.090 1.00 0.00 C ATOM 2711 C ILE D 6 2.275 -2.704 5.585 1.00 0.00 C ATOM 2712 O ILE D 6 1.569 -3.709 5.675 1.00 0.00 O ATOM 2713 CB ILE D 6 0.645 -0.894 6.113 1.00 0.00 C ATOM 2714 CG1 ILE D 6 -0.133 0.301 5.557 1.00 0.00 C ATOM 2715 CG2 ILE D 6 1.322 -0.526 7.425 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -1.258 0.762 6.458 1.00 0.00 C ATOM 0 H ILE D 6 0.143 -1.875 3.761 1.00 0.00 H new ATOM 0 HA ILE D 6 2.484 -0.644 5.001 1.00 0.00 H new ATOM 0 HB ILE D 6 -0.060 -1.704 6.302 1.00 0.00 H new ATOM 0 HG12 ILE D 6 0.556 1.130 5.397 1.00 0.00 H new ATOM 0 HG13 ILE D 6 -0.544 0.035 4.583 1.00 0.00 H new ATOM 0 HG21 ILE D 6 0.572 -0.182 8.137 1.00 0.00 H new ATOM 0 HG22 ILE D 6 1.832 -1.401 7.829 1.00 0.00 H new ATOM 0 HG23 ILE D 6 2.048 0.268 7.250 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -1.765 1.612 6.001 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -1.969 -0.052 6.598 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -0.851 1.059 7.425 1.00 0.00 H new ATOM 2728 N LEU D 7 3.562 -2.694 5.920 1.00 0.00 N ATOM 2729 CA LEU D 7 4.234 -3.887 6.423 1.00 0.00 C ATOM 2730 C LEU D 7 5.083 -3.536 7.642 1.00 0.00 C ATOM 2731 O LEU D 7 6.067 -2.805 7.530 1.00 0.00 O ATOM 2732 CB LEU D 7 5.110 -4.515 5.331 1.00 0.00 C ATOM 2733 CG LEU D 7 4.475 -5.689 4.583 1.00 0.00 C ATOM 2734 CD1 LEU D 7 3.711 -5.192 3.366 1.00 0.00 C ATOM 2735 CD2 LEU D 7 5.538 -6.702 4.170 1.00 0.00 C ATOM 0 H LEU D 7 4.161 -1.871 5.852 1.00 0.00 H new ATOM 0 HA LEU D 7 3.476 -4.613 6.716 1.00 0.00 H new ATOM 0 HB2 LEU D 7 5.371 -3.742 4.608 1.00 0.00 H new ATOM 0 HB3 LEU D 7 6.041 -4.855 5.785 1.00 0.00 H new ATOM 0 HG LEU D 7 3.773 -6.184 5.254 1.00 0.00 H new ATOM 0 HD11 LEU D 7 3.265 -6.039 2.845 1.00 0.00 H new ATOM 0 HD12 LEU D 7 2.925 -4.508 3.685 1.00 0.00 H new ATOM 0 HD13 LEU D 7 4.394 -4.672 2.695 1.00 0.00 H new ATOM 0 HD21 LEU D 7 5.066 -7.529 3.640 1.00 0.00 H new ATOM 0 HD22 LEU D 7 6.266 -6.220 3.517 1.00 0.00 H new ATOM 0 HD23 LEU D 7 6.043 -7.082 5.058 1.00 0.00 H new ATOM 2950 N ASP D 22 7.165 -7.993 7.787 1.00 0.00 N ATOM 2951 CA ASP D 22 8.429 -7.324 8.073 1.00 0.00 C ATOM 2952 C ASP D 22 8.919 -6.523 6.877 1.00 0.00 C ATOM 2953 O ASP D 22 8.774 -6.936 5.728 1.00 0.00 O ATOM 2954 CB ASP D 22 9.485 -8.355 8.474 1.00 0.00 C ATOM 2955 CG ASP D 22 10.772 -7.710 8.950 1.00 0.00 C ATOM 2956 OD1 ASP D 22 11.445 -7.052 8.128 1.00 0.00 O ATOM 2957 OD2 ASP D 22 11.107 -7.862 10.143 1.00 0.00 O ATOM 0 HA ASP D 22 8.262 -6.631 8.897 1.00 0.00 H new ATOM 0 HB2 ASP D 22 9.086 -8.990 9.265 1.00 0.00 H new ATOM 0 HB3 ASP D 22 9.699 -9.002 7.623 1.00 0.00 H new ATOM 2962 N ALA D 23 9.506 -5.373 7.170 1.00 0.00 N ATOM 2963 CA ALA D 23 10.035 -4.491 6.143 1.00 0.00 C ATOM 2964 C ALA D 23 10.893 -5.255 5.136 1.00 0.00 C ATOM 2965 O ALA D 23 10.772 -5.059 3.926 1.00 0.00 O ATOM 2966 CB ALA D 23 10.835 -3.385 6.806 1.00 0.00 C ATOM 0 H ALA D 23 9.628 -5.027 8.122 1.00 0.00 H new ATOM 0 HA ALA D 23 9.204 -4.057 5.587 1.00 0.00 H new ATOM 0 HB1 ALA D 23 11.236 -2.718 6.043 1.00 0.00 H new ATOM 0 HB2 ALA D 23 10.188 -2.820 7.478 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.656 -3.821 7.375 1.00 0.00 H new ATOM 2972 N ALA D 24 11.756 -6.131 5.644 1.00 0.00 N ATOM 2973 CA ALA D 24 12.633 -6.931 4.794 1.00 0.00 C ATOM 2974 C ALA D 24 11.838 -7.939 3.968 1.00 0.00 C ATOM 2975 O ALA D 24 12.253 -8.324 2.874 1.00 0.00 O ATOM 2976 CB ALA D 24 13.678 -7.645 5.639 1.00 0.00 C ATOM 0 H ALA D 24 11.867 -6.305 6.643 1.00 0.00 H new ATOM 0 HA ALA D 24 13.137 -6.256 4.102 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.325 -8.238 4.993 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.277 -6.909 6.176 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.181 -8.300 6.355 1.00 0.00 H new ATOM 2982 N THR D 25 10.695 -8.366 4.499 1.00 0.00 N ATOM 2983 CA THR D 25 9.844 -9.331 3.810 1.00 0.00 C ATOM 2984 C THR D 25 9.359 -8.762 2.483 1.00 0.00 C ATOM 2985 O THR D 25 9.321 -9.459 1.469 1.00 0.00 O ATOM 2986 CB THR D 25 8.649 -9.702 4.694 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.086 -10.315 5.894 1.00 0.00 O ATOM 2988 CG2 THR D 25 7.671 -10.646 4.030 1.00 0.00 C ATOM 0 H THR D 25 10.337 -8.059 5.404 1.00 0.00 H new ATOM 0 HA THR D 25 10.428 -10.229 3.608 1.00 0.00 H new ATOM 0 HB THR D 25 8.138 -8.759 4.889 1.00 0.00 H new ATOM 0 HG1 THR D 25 8.309 -10.543 6.446 1.00 0.00 H new ATOM 0 HG21 THR D 25 6.852 -10.863 4.716 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.274 -10.183 3.127 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.181 -11.573 3.768 1.00 0.00 H new ATOM 2996 N PHE D 26 9.007 -7.482 2.497 1.00 0.00 N ATOM 2997 CA PHE D 26 8.543 -6.803 1.295 1.00 0.00 C ATOM 2998 C PHE D 26 9.669 -6.682 0.273 1.00 0.00 C ATOM 2999 O PHE D 26 9.494 -6.997 -0.904 1.00 0.00 O ATOM 3000 CB PHE D 26 8.002 -5.415 1.640 1.00 0.00 C ATOM 3001 CG PHE D 26 7.093 -4.851 0.584 1.00 0.00 C ATOM 3002 CD1 PHE D 26 5.811 -5.348 0.420 1.00 0.00 C ATOM 3003 CD2 PHE D 26 7.521 -3.826 -0.243 1.00 0.00 C ATOM 3004 CE1 PHE D 26 4.972 -4.834 -0.550 1.00 0.00 C ATOM 3005 CE2 PHE D 26 6.688 -3.307 -1.215 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.411 -3.812 -1.369 1.00 0.00 C ATOM 0 H PHE D 26 9.034 -6.893 3.329 1.00 0.00 H new ATOM 0 HA PHE D 26 7.740 -7.398 0.860 1.00 0.00 H new ATOM 0 HB2 PHE D 26 7.461 -5.468 2.585 1.00 0.00 H new ATOM 0 HB3 PHE D 26 8.839 -4.734 1.790 1.00 0.00 H new ATOM 0 HD1 PHE D 26 5.463 -6.147 1.058 1.00 0.00 H new ATOM 0 HD2 PHE D 26 8.518 -3.428 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE D 26 3.974 -5.231 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE D 26 7.034 -2.508 -1.854 1.00 0.00 H new ATOM 0 HZ PHE D 26 4.757 -3.408 -2.128 1.00 0.00 H new ATOM 3016 N GLU D 27 10.821 -6.205 0.734 1.00 0.00 N ATOM 3017 CA GLU D 27 11.983 -6.014 -0.130 1.00 0.00 C ATOM 3018 C GLU D 27 12.385 -7.301 -0.850 1.00 0.00 C ATOM 3019 O GLU D 27 12.535 -7.314 -2.072 1.00 0.00 O ATOM 3020 CB GLU D 27 13.166 -5.493 0.690 1.00 0.00 C ATOM 3021 CG GLU D 27 12.924 -4.123 1.303 1.00 0.00 C ATOM 3022 CD GLU D 27 14.169 -3.544 1.945 1.00 0.00 C ATOM 3023 OE1 GLU D 27 14.684 -4.158 2.903 1.00 0.00 O ATOM 3024 OE2 GLU D 27 14.629 -2.475 1.491 1.00 0.00 O ATOM 0 H GLU D 27 10.976 -5.942 1.707 1.00 0.00 H new ATOM 0 HA GLU D 27 11.705 -5.283 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU D 27 13.387 -6.204 1.486 1.00 0.00 H new ATOM 0 HB3 GLU D 27 14.048 -5.445 0.051 1.00 0.00 H new ATOM 0 HG2 GLU D 27 12.567 -3.441 0.531 1.00 0.00 H new ATOM 0 HG3 GLU D 27 12.135 -4.198 2.051 1.00 0.00 H new ATOM 3031 N LYS D 28 12.593 -8.368 -0.088 1.00 0.00 N ATOM 3032 CA LYS D 28 13.017 -9.645 -0.659 1.00 0.00 C ATOM 3033 C LYS D 28 11.949 -10.269 -1.557 1.00 0.00 C ATOM 3034 O LYS D 28 12.242 -10.678 -2.680 1.00 0.00 O ATOM 3035 CB LYS D 28 13.384 -10.624 0.459 1.00 0.00 C ATOM 3036 CG LYS D 28 14.003 -11.918 -0.044 1.00 0.00 C ATOM 3037 CD LYS D 28 14.692 -12.679 1.077 1.00 0.00 C ATOM 3038 CE LYS D 28 16.145 -12.257 1.227 1.00 0.00 C ATOM 3039 NZ LYS D 28 16.665 -12.531 2.596 1.00 0.00 N ATOM 0 H LYS D 28 12.476 -8.377 0.925 1.00 0.00 H new ATOM 0 HA LYS D 28 13.889 -9.442 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS D 28 14.082 -10.138 1.141 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.488 -10.859 1.033 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.229 -12.544 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS D 28 14.724 -11.696 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS D 28 14.163 -12.506 2.014 1.00 0.00 H new ATOM 0 HD3 LYS D 28 14.642 -13.749 0.876 1.00 0.00 H new ATOM 0 HE2 LYS D 28 16.754 -12.787 0.495 1.00 0.00 H new ATOM 0 HE3 LYS D 28 16.238 -11.193 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 17.658 -12.229 2.657 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 16.100 -12.006 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 16.600 -13.550 2.795 1.00 0.00 H new ATOM 3053 N VAL D 29 10.719 -10.350 -1.064 1.00 0.00 N ATOM 3054 CA VAL D 29 9.625 -10.937 -1.834 1.00 0.00 C ATOM 3055 C VAL D 29 9.333 -10.156 -3.114 1.00 0.00 C ATOM 3056 O VAL D 29 9.077 -10.744 -4.164 1.00 0.00 O ATOM 3057 CB VAL D 29 8.334 -11.025 -0.996 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.202 -11.640 -1.807 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.582 -11.821 0.276 1.00 0.00 C ATOM 0 H VAL D 29 10.453 -10.018 -0.137 1.00 0.00 H new ATOM 0 HA VAL D 29 9.953 -11.940 -2.107 1.00 0.00 H new ATOM 0 HB VAL D 29 8.036 -10.014 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.302 -11.692 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL D 29 7.008 -11.025 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.484 -12.644 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.661 -11.874 0.857 1.00 0.00 H new ATOM 0 HG22 VAL D 29 8.907 -12.829 0.017 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.356 -11.331 0.867 1.00 0.00 H new ATOM 3069 N VAL D 30 9.351 -8.830 -3.020 1.00 0.00 N ATOM 3070 CA VAL D 30 9.066 -7.982 -4.171 1.00 0.00 C ATOM 3071 C VAL D 30 10.189 -8.008 -5.204 1.00 0.00 C ATOM 3072 O VAL D 30 9.928 -8.146 -6.398 1.00 0.00 O ATOM 3073 CB VAL D 30 8.776 -6.526 -3.749 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.492 -5.653 -4.964 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.607 -6.482 -2.777 1.00 0.00 C ATOM 0 H VAL D 30 9.559 -8.321 -2.161 1.00 0.00 H new ATOM 0 HA VAL D 30 8.171 -8.397 -4.636 1.00 0.00 H new ATOM 0 HB VAL D 30 9.662 -6.132 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL D 30 8.291 -4.632 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL D 30 9.357 -5.659 -5.627 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.624 -6.042 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.413 -5.449 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.720 -6.897 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL D 30 7.849 -7.068 -1.890 1.00 0.00 H new ATOM 3085 N LYS D 31 11.436 -7.880 -4.760 1.00 0.00 N ATOM 3086 CA LYS D 31 12.565 -7.897 -5.682 1.00 0.00 C ATOM 3087 C LYS D 31 12.655 -9.240 -6.396 1.00 0.00 C ATOM 3088 O LYS D 31 12.838 -9.298 -7.612 1.00 0.00 O ATOM 3089 CB LYS D 31 13.869 -7.618 -4.931 1.00 0.00 C ATOM 3090 CG LYS D 31 15.021 -7.219 -5.840 1.00 0.00 C ATOM 3091 CD LYS D 31 16.217 -6.728 -5.040 1.00 0.00 C ATOM 3092 CE LYS D 31 17.475 -6.674 -5.894 1.00 0.00 C ATOM 3093 NZ LYS D 31 18.409 -5.606 -5.442 1.00 0.00 N ATOM 0 H LYS D 31 11.688 -7.765 -3.778 1.00 0.00 H new ATOM 0 HA LYS D 31 12.410 -7.116 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.698 -6.823 -4.205 1.00 0.00 H new ATOM 0 HB3 LYS D 31 14.152 -8.508 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS D 31 15.316 -8.072 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS D 31 14.692 -6.436 -6.523 1.00 0.00 H new ATOM 0 HD2 LYS D 31 16.006 -5.737 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS D 31 16.382 -7.388 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS D 31 17.981 -7.639 -5.856 1.00 0.00 H new ATOM 0 HE3 LYS D 31 17.200 -6.499 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 19.390 -5.917 -5.591 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 18.235 -4.738 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 18.256 -5.416 -4.431 1.00 0.00 H new ATOM 3107 N GLN D 32 12.521 -10.318 -5.634 1.00 0.00 N ATOM 3108 CA GLN D 32 12.583 -11.659 -6.198 1.00 0.00 C ATOM 3109 C GLN D 32 11.443 -11.896 -7.182 1.00 0.00 C ATOM 3110 O GLN D 32 11.660 -12.407 -8.281 1.00 0.00 O ATOM 3111 CB GLN D 32 12.542 -12.711 -5.086 1.00 0.00 C ATOM 3112 CG GLN D 32 12.791 -14.126 -5.581 1.00 0.00 C ATOM 3113 CD GLN D 32 14.137 -14.276 -6.265 1.00 0.00 C ATOM 3114 OE1 GLN D 32 15.150 -13.765 -5.786 1.00 0.00 O ATOM 3115 NE2 GLN D 32 14.154 -14.979 -7.391 1.00 0.00 N ATOM 0 H GLN D 32 12.369 -10.290 -4.626 1.00 0.00 H new ATOM 0 HA GLN D 32 13.526 -11.750 -6.738 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.289 -12.461 -4.333 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.569 -12.672 -4.595 1.00 0.00 H new ATOM 0 HG2 GLN D 32 12.736 -14.816 -4.739 1.00 0.00 H new ATOM 0 HG3 GLN D 32 12.001 -14.408 -6.277 1.00 0.00 H new ATOM 0 HE21 GLN D 32 13.291 -15.385 -7.752 1.00 0.00 H new ATOM 0 HE22 GLN D 32 15.030 -15.113 -7.895 1.00 0.00 H new ATOM 3124 N PHE D 33 10.229 -11.512 -6.793 1.00 0.00 N ATOM 3125 CA PHE D 33 9.056 -11.670 -7.645 1.00 0.00 C ATOM 3126 C PHE D 33 9.106 -10.768 -8.880 1.00 0.00 C ATOM 3127 O PHE D 33 8.839 -11.220 -9.994 1.00 0.00 O ATOM 3128 CB PHE D 33 7.791 -11.433 -6.804 1.00 0.00 C ATOM 3129 CG PHE D 33 6.563 -11.030 -7.573 1.00 0.00 C ATOM 3130 CD1 PHE D 33 6.041 -11.825 -8.581 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.913 -9.850 -7.251 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.897 -11.440 -9.260 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.772 -9.461 -7.925 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.264 -10.254 -8.930 1.00 0.00 C ATOM 0 H PHE D 33 10.033 -11.087 -5.887 1.00 0.00 H new ATOM 0 HA PHE D 33 9.039 -12.689 -8.033 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.568 -12.346 -6.251 1.00 0.00 H new ATOM 0 HB3 PHE D 33 8.006 -10.659 -6.067 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.530 -12.752 -8.839 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.304 -9.225 -6.462 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.499 -12.064 -10.046 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.279 -8.536 -7.664 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.373 -9.951 -9.460 1.00 0.00 H new ATOM 3144 N PHE D 34 9.443 -9.499 -8.686 1.00 0.00 N ATOM 3145 CA PHE D 34 9.513 -8.557 -9.799 1.00 0.00 C ATOM 3146 C PHE D 34 10.753 -8.760 -10.673 1.00 0.00 C ATOM 3147 O PHE D 34 10.691 -8.571 -11.887 1.00 0.00 O ATOM 3148 CB PHE D 34 9.400 -7.119 -9.295 1.00 0.00 C ATOM 3149 CG PHE D 34 7.970 -6.734 -9.042 1.00 0.00 C ATOM 3150 CD1 PHE D 34 7.339 -7.082 -7.859 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.245 -6.058 -10.010 1.00 0.00 C ATOM 3152 CE1 PHE D 34 6.011 -6.763 -7.646 1.00 0.00 C ATOM 3153 CE2 PHE D 34 5.920 -5.730 -9.802 1.00 0.00 C ATOM 3154 CZ PHE D 34 5.300 -6.085 -8.618 1.00 0.00 C ATOM 0 H PHE D 34 9.671 -9.099 -7.776 1.00 0.00 H new ATOM 0 HA PHE D 34 8.659 -8.759 -10.446 1.00 0.00 H new ATOM 0 HB2 PHE D 34 9.976 -7.008 -8.376 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.836 -6.440 -10.028 1.00 0.00 H new ATOM 0 HD1 PHE D 34 7.891 -7.609 -7.094 1.00 0.00 H new ATOM 0 HD2 PHE D 34 7.722 -5.784 -10.939 1.00 0.00 H new ATOM 0 HE1 PHE D 34 5.529 -7.043 -6.721 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.369 -5.197 -10.563 1.00 0.00 H new ATOM 0 HZ PHE D 34 4.263 -5.833 -8.453 1.00 0.00 H new ATOM 3164 N ASN D 35 11.870 -9.167 -10.074 1.00 0.00 N ATOM 3165 CA ASN D 35 13.089 -9.410 -10.849 1.00 0.00 C ATOM 3166 C ASN D 35 12.831 -10.421 -11.969 1.00 0.00 C ATOM 3167 O ASN D 35 13.454 -10.365 -13.029 1.00 0.00 O ATOM 3168 CB ASN D 35 14.233 -9.899 -9.949 1.00 0.00 C ATOM 3169 CG ASN D 35 14.961 -8.772 -9.232 1.00 0.00 C ATOM 3170 OD1 ASN D 35 16.149 -8.890 -8.930 1.00 0.00 O ATOM 3171 ND2 ASN D 35 14.268 -7.672 -8.957 1.00 0.00 N ATOM 0 H ASN D 35 11.959 -9.334 -9.072 1.00 0.00 H new ATOM 0 HA ASN D 35 13.387 -8.462 -11.296 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.832 -10.592 -9.209 1.00 0.00 H new ATOM 0 HB3 ASN D 35 14.948 -10.457 -10.554 1.00 0.00 H new ATOM 0 HD21 ASN D 35 14.719 -6.891 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN D 35 13.285 -7.609 -9.222 1.00 0.00 H new ATOM 3178 N ASP D 36 11.903 -11.339 -11.719 1.00 0.00 N ATOM 3179 CA ASP D 36 11.538 -12.371 -12.689 1.00 0.00 C ATOM 3180 C ASP D 36 10.967 -11.769 -13.977 1.00 0.00 C ATOM 3181 O ASP D 36 10.915 -12.439 -15.010 1.00 0.00 O ATOM 3182 CB ASP D 36 10.529 -13.342 -12.074 1.00 0.00 C ATOM 3183 CG ASP D 36 11.181 -14.326 -11.122 1.00 0.00 C ATOM 3184 OD1 ASP D 36 12.136 -15.012 -11.542 1.00 0.00 O ATOM 3185 OD2 ASP D 36 10.736 -14.410 -9.959 1.00 0.00 O ATOM 0 H ASP D 36 11.383 -11.391 -10.843 1.00 0.00 H new ATOM 0 HA ASP D 36 12.449 -12.910 -12.950 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.764 -12.778 -11.541 1.00 0.00 H new ATOM 0 HB3 ASP D 36 10.025 -13.890 -12.870 1.00 0.00 H new ATOM 3190 N ASN D 37 10.532 -10.513 -13.911 1.00 0.00 N ATOM 3191 CA ASN D 37 9.959 -9.848 -15.081 1.00 0.00 C ATOM 3192 C ASN D 37 10.927 -8.836 -15.695 1.00 0.00 C ATOM 3193 O ASN D 37 10.793 -8.479 -16.866 1.00 0.00 O ATOM 3194 CB ASN D 37 8.634 -9.170 -14.727 1.00 0.00 C ATOM 3195 CG ASN D 37 8.804 -8.011 -13.768 1.00 0.00 C ATOM 3196 OD1 ASN D 37 9.501 -7.041 -14.063 1.00 0.00 O ATOM 3197 ND2 ASN D 37 8.161 -8.107 -12.609 1.00 0.00 N ATOM 0 H ASN D 37 10.564 -9.939 -13.069 1.00 0.00 H new ATOM 0 HA ASN D 37 9.771 -10.619 -15.828 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.159 -8.813 -15.641 1.00 0.00 H new ATOM 0 HB3 ASN D 37 7.962 -9.905 -14.285 1.00 0.00 H new ATOM 0 HD21 ASN D 37 8.235 -7.357 -11.921 1.00 0.00 H new ATOM 0 HD22 ASN D 37 7.594 -8.930 -12.407 1.00 0.00 H new ATOM 3204 N GLY D 38 11.909 -8.382 -14.917 1.00 0.00 N ATOM 3205 CA GLY D 38 12.876 -7.431 -15.443 1.00 0.00 C ATOM 3206 C GLY D 38 13.098 -6.218 -14.555 1.00 0.00 C ATOM 3207 O GLY D 38 13.672 -5.224 -15.000 1.00 0.00 O ATOM 0 H GLY D 38 12.052 -8.652 -13.944 1.00 0.00 H new ATOM 0 HA2 GLY D 38 13.828 -7.941 -15.589 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.541 -7.094 -16.424 1.00 0.00 H new ATOM 3211 N VAL D 39 12.656 -6.286 -13.303 1.00 0.00 N ATOM 3212 CA VAL D 39 12.831 -5.169 -12.380 1.00 0.00 C ATOM 3213 C VAL D 39 14.151 -5.291 -11.622 1.00 0.00 C ATOM 3214 O VAL D 39 14.574 -6.391 -11.266 1.00 0.00 O ATOM 3215 CB VAL D 39 11.673 -5.081 -11.367 1.00 0.00 C ATOM 3216 CG1 VAL D 39 11.797 -3.824 -10.517 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.334 -5.116 -12.086 1.00 0.00 C ATOM 0 H VAL D 39 12.178 -7.095 -12.906 1.00 0.00 H new ATOM 0 HA VAL D 39 12.839 -4.260 -12.981 1.00 0.00 H new ATOM 0 HB VAL D 39 11.729 -5.945 -10.704 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.970 -3.781 -9.808 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.741 -3.845 -9.972 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.769 -2.945 -11.161 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.527 -5.053 -11.356 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.268 -4.273 -12.773 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.245 -6.048 -12.645 1.00 0.00 H new ATOM 3227 N ASP D 40 14.799 -4.155 -11.381 1.00 0.00 N ATOM 3228 CA ASP D 40 16.072 -4.140 -10.668 1.00 0.00 C ATOM 3229 C ASP D 40 16.306 -2.790 -9.992 1.00 0.00 C ATOM 3230 O ASP D 40 15.477 -1.885 -10.086 1.00 0.00 O ATOM 3231 CB ASP D 40 17.222 -4.444 -11.630 1.00 0.00 C ATOM 3232 CG ASP D 40 17.340 -5.923 -11.941 1.00 0.00 C ATOM 3233 OD1 ASP D 40 17.289 -6.735 -10.993 1.00 0.00 O ATOM 3234 OD2 ASP D 40 17.484 -6.270 -13.132 1.00 0.00 O ATOM 0 H ASP D 40 14.465 -3.235 -11.668 1.00 0.00 H new ATOM 0 HA ASP D 40 16.035 -4.910 -9.897 1.00 0.00 H new ATOM 0 HB2 ASP D 40 17.072 -3.891 -12.557 1.00 0.00 H new ATOM 0 HB3 ASP D 40 18.158 -4.091 -11.196 1.00 0.00 H new ATOM 3239 N GLY D 41 17.442 -2.667 -9.312 1.00 0.00 N ATOM 3240 CA GLY D 41 17.767 -1.428 -8.628 1.00 0.00 C ATOM 3241 C GLY D 41 17.921 -1.616 -7.132 1.00 0.00 C ATOM 3242 O GLY D 41 18.410 -2.650 -6.678 1.00 0.00 O ATOM 0 H GLY D 41 18.143 -3.403 -9.222 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.692 -1.022 -9.037 1.00 0.00 H new ATOM 0 HA3 GLY D 41 16.984 -0.694 -8.820 1.00 0.00 H new ATOM 3246 N GLU D 42 17.505 -0.615 -6.362 1.00 0.00 N ATOM 3247 CA GLU D 42 17.601 -0.678 -4.910 1.00 0.00 C ATOM 3248 C GLU D 42 16.469 0.104 -4.251 1.00 0.00 C ATOM 3249 O GLU D 42 15.901 1.017 -4.850 1.00 0.00 O ATOM 3250 CB GLU D 42 18.952 -0.131 -4.442 1.00 0.00 C ATOM 3251 CG GLU D 42 20.100 -1.108 -4.631 1.00 0.00 C ATOM 3252 CD GLU D 42 21.261 -0.829 -3.697 1.00 0.00 C ATOM 3253 OE1 GLU D 42 21.807 0.294 -3.749 1.00 0.00 O ATOM 3254 OE2 GLU D 42 21.624 -1.730 -2.914 1.00 0.00 O ATOM 0 H GLU D 42 17.098 0.249 -6.721 1.00 0.00 H new ATOM 0 HA GLU D 42 17.516 -1.723 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU D 42 19.172 0.786 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU D 42 18.882 0.135 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU D 42 19.740 -2.123 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU D 42 20.448 -1.059 -5.663 1.00 0.00 H new ATOM 3261 N TRP D 43 16.149 -0.259 -3.013 1.00 0.00 N ATOM 3262 CA TRP D 43 15.088 0.407 -2.270 1.00 0.00 C ATOM 3263 C TRP D 43 15.526 1.790 -1.815 1.00 0.00 C ATOM 3264 O TRP D 43 16.486 1.935 -1.058 1.00 0.00 O ATOM 3265 CB TRP D 43 14.670 -0.437 -1.066 1.00 0.00 C ATOM 3266 CG TRP D 43 13.877 -1.649 -1.447 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.344 -2.924 -1.585 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.477 -1.699 -1.745 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.320 -3.764 -1.949 1.00 0.00 N ATOM 3270 CE2 TRP D 43 12.164 -3.036 -2.054 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.458 -0.743 -1.779 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 10.875 -3.440 -2.392 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 10.179 -1.146 -2.115 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.897 -2.484 -2.418 1.00 0.00 C ATOM 0 H TRP D 43 16.611 -1.012 -2.503 1.00 0.00 H new ATOM 0 HA TRP D 43 14.232 0.522 -2.935 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.561 -0.749 -0.521 1.00 0.00 H new ATOM 0 HB3 TRP D 43 14.080 0.177 -0.386 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.369 -3.228 -1.431 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.406 -4.767 -2.114 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.666 0.291 -1.547 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.655 -4.471 -2.625 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.383 -0.416 -2.144 1.00 0.00 H new ATOM 0 HH2 TRP D 43 8.887 -2.767 -2.677 1.00 0.00 H new ATOM 3285 N THR D 44 14.810 2.805 -2.284 1.00 0.00 N ATOM 3286 CA THR D 44 15.118 4.180 -1.928 1.00 0.00 C ATOM 3287 C THR D 44 14.024 4.766 -1.046 1.00 0.00 C ATOM 3288 O THR D 44 12.835 4.544 -1.274 1.00 0.00 O ATOM 3289 CB THR D 44 15.289 5.033 -3.184 1.00 0.00 C ATOM 3290 OG1 THR D 44 14.088 5.066 -3.935 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.389 4.539 -4.099 1.00 0.00 C ATOM 0 H THR D 44 14.013 2.699 -2.911 1.00 0.00 H new ATOM 0 HA THR D 44 16.054 4.183 -1.370 1.00 0.00 H new ATOM 0 HB THR D 44 15.557 6.026 -2.824 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.403 4.532 -3.481 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.457 5.190 -4.971 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.339 4.549 -3.564 1.00 0.00 H new ATOM 0 HG23 THR D 44 16.165 3.522 -4.422 1.00 0.00 H new ATOM 3299 N TYR D 45 14.442 5.531 -0.051 1.00 0.00 N ATOM 3300 CA TYR D 45 13.511 6.176 0.864 1.00 0.00 C ATOM 3301 C TYR D 45 12.778 7.315 0.165 1.00 0.00 C ATOM 3302 O TYR D 45 13.368 8.048 -0.631 1.00 0.00 O ATOM 3303 CB TYR D 45 14.245 6.700 2.100 1.00 0.00 C ATOM 3304 CG TYR D 45 14.524 5.635 3.135 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.547 5.256 4.046 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.763 5.009 3.203 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.794 4.284 4.996 1.00 0.00 C ATOM 3308 CE2 TYR D 45 16.018 4.034 4.150 1.00 0.00 C ATOM 3309 CZ TYR D 45 15.031 3.676 5.044 1.00 0.00 C ATOM 3310 OH TYR D 45 15.281 2.708 5.989 1.00 0.00 O ATOM 0 H TYR D 45 15.425 5.722 0.145 1.00 0.00 H new ATOM 0 HA TYR D 45 12.779 5.434 1.184 1.00 0.00 H new ATOM 0 HB2 TYR D 45 15.189 7.148 1.789 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.651 7.492 2.557 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.577 5.729 4.011 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.539 5.288 2.505 1.00 0.00 H new ATOM 0 HE1 TYR D 45 13.023 4.002 5.697 1.00 0.00 H new ATOM 0 HE2 TYR D 45 16.985 3.555 4.189 1.00 0.00 H new ATOM 0 HH TYR D 45 16.199 2.380 5.887 1.00 0.00 H new ATOM 3320 N ASP D 46 11.492 7.461 0.461 1.00 0.00 N ATOM 3321 CA ASP D 46 10.687 8.513 -0.147 1.00 0.00 C ATOM 3322 C ASP D 46 11.079 9.879 0.407 1.00 0.00 C ATOM 3323 O ASP D 46 11.677 9.975 1.478 1.00 0.00 O ATOM 3324 CB ASP D 46 9.200 8.265 0.112 1.00 0.00 C ATOM 3325 CG ASP D 46 8.737 6.912 -0.387 1.00 0.00 C ATOM 3326 OD1 ASP D 46 9.489 5.930 -0.223 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.620 6.836 -0.941 1.00 0.00 O ATOM 0 H ASP D 46 10.986 6.866 1.117 1.00 0.00 H new ATOM 0 HA ASP D 46 10.871 8.500 -1.221 1.00 0.00 H new ATOM 0 HB2 ASP D 46 9.004 8.339 1.182 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.616 9.046 -0.374 1.00 0.00 H new ATOM 3332 N ASP D 47 10.737 10.934 -0.326 1.00 0.00 N ATOM 3333 CA ASP D 47 11.053 12.291 0.103 1.00 0.00 C ATOM 3334 C ASP D 47 10.270 12.653 1.361 1.00 0.00 C ATOM 3335 O ASP D 47 9.084 12.345 1.473 1.00 0.00 O ATOM 3336 CB ASP D 47 10.743 13.288 -1.015 1.00 0.00 C ATOM 3337 CG ASP D 47 11.820 13.315 -2.084 1.00 0.00 C ATOM 3338 OD1 ASP D 47 12.830 14.023 -1.891 1.00 0.00 O ATOM 3339 OD2 ASP D 47 11.652 12.626 -3.112 1.00 0.00 O ATOM 0 H ASP D 47 10.243 10.875 -1.216 1.00 0.00 H new ATOM 0 HA ASP D 47 12.118 12.339 0.332 1.00 0.00 H new ATOM 0 HB2 ASP D 47 9.788 13.031 -1.473 1.00 0.00 H new ATOM 0 HB3 ASP D 47 10.634 14.285 -0.588 1.00 0.00 H new ATOM 3344 N ALA D 48 10.945 13.294 2.310 1.00 0.00 N ATOM 3345 CA ALA D 48 10.319 13.683 3.569 1.00 0.00 C ATOM 3346 C ALA D 48 9.063 14.523 3.347 1.00 0.00 C ATOM 3347 O ALA D 48 9.033 15.406 2.490 1.00 0.00 O ATOM 3348 CB ALA D 48 11.313 14.439 4.437 1.00 0.00 C ATOM 0 H ALA D 48 11.928 13.556 2.231 1.00 0.00 H new ATOM 0 HA ALA D 48 10.015 12.770 4.081 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.835 14.724 5.374 1.00 0.00 H new ATOM 0 HB2 ALA D 48 12.171 13.801 4.647 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.647 15.334 3.913 1.00 0.00 H new ATOM 3354 N THR D 49 8.031 14.236 4.136 1.00 0.00 N ATOM 3355 CA THR D 49 6.762 14.953 4.049 1.00 0.00 C ATOM 3356 C THR D 49 6.359 15.490 5.419 1.00 0.00 C ATOM 3357 O THR D 49 6.792 14.973 6.448 1.00 0.00 O ATOM 3358 CB THR D 49 5.664 14.037 3.511 1.00 0.00 C ATOM 3359 OG1 THR D 49 6.044 13.469 2.271 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.341 14.747 3.307 1.00 0.00 C ATOM 0 H THR D 49 8.050 13.506 4.848 1.00 0.00 H new ATOM 0 HA THR D 49 6.891 15.790 3.363 1.00 0.00 H new ATOM 0 HB THR D 49 5.532 13.267 4.271 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.327 12.885 1.945 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.604 14.041 2.924 1.00 0.00 H new ATOM 0 HG22 THR D 49 3.995 15.152 4.258 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.471 15.560 2.592 1.00 0.00 H new ATOM 3368 N LYS D 50 5.531 16.530 5.429 1.00 0.00 N ATOM 3369 CA LYS D 50 5.079 17.126 6.682 1.00 0.00 C ATOM 3370 C LYS D 50 3.556 17.170 6.755 1.00 0.00 C ATOM 3371 O LYS D 50 2.904 17.852 5.963 1.00 0.00 O ATOM 3372 CB LYS D 50 5.648 18.539 6.832 1.00 0.00 C ATOM 3373 CG LYS D 50 5.915 18.938 8.274 1.00 0.00 C ATOM 3374 CD LYS D 50 7.020 19.977 8.368 1.00 0.00 C ATOM 3375 CE LYS D 50 8.375 19.381 8.020 1.00 0.00 C ATOM 3376 NZ LYS D 50 9.496 20.257 8.458 1.00 0.00 N ATOM 0 H LYS D 50 5.161 16.975 4.589 1.00 0.00 H new ATOM 0 HA LYS D 50 5.442 16.503 7.499 1.00 0.00 H new ATOM 0 HB2 LYS D 50 6.577 18.609 6.266 1.00 0.00 H new ATOM 0 HB3 LYS D 50 4.951 19.251 6.390 1.00 0.00 H new ATOM 0 HG2 LYS D 50 5.002 19.335 8.718 1.00 0.00 H new ATOM 0 HG3 LYS D 50 6.193 18.056 8.851 1.00 0.00 H new ATOM 0 HD2 LYS D 50 6.801 20.805 7.693 1.00 0.00 H new ATOM 0 HD3 LYS D 50 7.050 20.388 9.377 1.00 0.00 H new ATOM 0 HE2 LYS D 50 8.473 18.403 8.491 1.00 0.00 H new ATOM 0 HE3 LYS D 50 8.437 19.224 6.943 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 9.948 20.685 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 9.129 21.008 9.077 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 10.196 19.691 8.979 1.00 0.00 H new ATOM 3390 N THR D 51 2.997 16.439 7.715 1.00 0.00 N ATOM 3391 CA THR D 51 1.552 16.392 7.905 1.00 0.00 C ATOM 3392 C THR D 51 1.154 17.177 9.154 1.00 0.00 C ATOM 3393 O THR D 51 1.699 16.957 10.236 1.00 0.00 O ATOM 3394 CB THR D 51 1.084 14.936 8.005 1.00 0.00 C ATOM 3395 OG1 THR D 51 1.298 14.262 6.778 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.382 14.793 8.352 1.00 0.00 C ATOM 0 H THR D 51 3.526 15.869 8.375 1.00 0.00 H new ATOM 0 HA THR D 51 1.066 16.854 7.045 1.00 0.00 H new ATOM 0 HB THR D 51 1.673 14.500 8.812 1.00 0.00 H new ATOM 0 HG1 THR D 51 0.996 13.333 6.858 1.00 0.00 H new ATOM 0 HG21 THR D 51 -0.642 13.736 8.406 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.575 15.263 9.316 1.00 0.00 H new ATOM 0 HG23 THR D 51 -0.986 15.277 7.585 1.00 0.00 H new ATOM 3404 N PHE D 52 0.203 18.096 8.999 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.265 18.914 10.114 1.00 0.00 C ATOM 3406 C PHE D 52 -1.283 18.164 10.970 1.00 0.00 C ATOM 3407 O PHE D 52 -2.379 17.849 10.511 1.00 0.00 O ATOM 3408 CB PHE D 52 -0.884 20.215 9.598 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.282 21.167 10.691 1.00 0.00 C ATOM 3410 CD1 PHE D 52 -0.362 22.054 11.226 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.578 21.173 11.183 1.00 0.00 C ATOM 3412 CE1 PHE D 52 -0.726 22.930 12.231 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -2.948 22.047 12.189 1.00 0.00 C ATOM 3414 CZ PHE D 52 -2.020 22.925 12.714 1.00 0.00 C ATOM 0 H PHE D 52 -0.258 18.292 8.111 1.00 0.00 H new ATOM 0 HA PHE D 52 0.599 19.146 10.736 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.171 20.710 8.938 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -1.762 19.977 8.998 1.00 0.00 H new ATOM 0 HD1 PHE D 52 0.652 22.061 10.853 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.307 20.488 10.776 1.00 0.00 H new ATOM 0 HE1 PHE D 52 0.000 23.618 12.638 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -3.961 22.043 12.563 1.00 0.00 H new ATOM 0 HZ PHE D 52 -2.306 23.607 13.501 1.00 0.00 H new ATOM 3424 N THR D 53 -0.922 17.897 12.221 1.00 0.00 N ATOM 3425 CA THR D 53 -1.817 17.201 13.138 1.00 0.00 C ATOM 3426 C THR D 53 -2.656 18.204 13.923 1.00 0.00 C ATOM 3427 O THR D 53 -2.118 19.093 14.583 1.00 0.00 O ATOM 3428 CB THR D 53 -1.021 16.315 14.099 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.225 15.387 13.384 1.00 0.00 O ATOM 3430 CG2 THR D 53 -1.897 15.529 15.051 1.00 0.00 C ATOM 0 H THR D 53 -0.019 18.151 12.622 1.00 0.00 H new ATOM 0 HA THR D 53 -2.483 16.567 12.552 1.00 0.00 H new ATOM 0 HB THR D 53 -0.403 17.000 14.679 1.00 0.00 H new ATOM 0 HG1 THR D 53 0.343 15.867 12.746 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.271 14.922 15.705 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.489 16.218 15.653 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.563 14.881 14.482 1.00 0.00 H new ATOM 3438 N VAL D 54 -3.976 18.063 13.846 1.00 0.00 N ATOM 3439 CA VAL D 54 -4.880 18.967 14.547 1.00 0.00 C ATOM 3440 C VAL D 54 -4.845 18.727 16.051 1.00 0.00 C ATOM 3441 O VAL D 54 -4.487 17.642 16.511 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.334 18.817 14.057 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.179 19.987 14.538 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.385 18.701 12.541 1.00 0.00 C ATOM 0 H VAL D 54 -4.442 17.333 13.307 1.00 0.00 H new ATOM 0 HA VAL D 54 -4.533 19.977 14.329 1.00 0.00 H new ATOM 0 HB VAL D 54 -6.745 17.900 14.478 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.203 19.866 14.184 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.173 20.016 15.628 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -6.767 20.918 14.148 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.421 18.596 12.219 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -5.955 19.597 12.093 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -5.816 17.827 12.224 1.00 0.00 H new ATOM 3454 N THR D 55 -5.218 19.749 16.813 1.00 0.00 N ATOM 3455 CA THR D 55 -5.232 19.656 18.269 1.00 0.00 C ATOM 3456 C THR D 55 -6.344 20.517 18.858 1.00 0.00 C ATOM 3457 O THR D 55 -7.325 20.001 19.395 1.00 0.00 O ATOM 3458 CB THR D 55 -3.881 20.084 18.843 1.00 0.00 C ATOM 3459 OG1 THR D 55 -2.832 19.318 18.278 1.00 0.00 O ATOM 3460 CG2 THR D 55 -3.797 19.940 20.346 1.00 0.00 C ATOM 0 H THR D 55 -5.515 20.653 16.446 1.00 0.00 H new ATOM 0 HA THR D 55 -5.419 18.617 18.539 1.00 0.00 H new ATOM 0 HB THR D 55 -3.780 21.139 18.590 1.00 0.00 H new ATOM 0 HG1 THR D 55 -2.000 19.492 18.766 1.00 0.00 H new ATOM 0 HG21 THR D 55 -2.813 20.261 20.688 1.00 0.00 H new ATOM 0 HG22 THR D 55 -4.563 20.558 20.814 1.00 0.00 H new ATOM 0 HG23 THR D 55 -3.955 18.897 20.621 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.181 21.828 18.750 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.168 22.769 19.270 1.00 0.00 C ATOM 3470 C GLU D 56 -7.348 22.595 20.774 1.00 0.00 C ATOM 3471 O GLU D 56 -8.226 23.273 21.346 1.00 0.00 O ATOM 3472 CB GLU D 56 -8.509 22.578 18.559 1.00 0.00 C ATOM 3473 CG GLU D 56 -8.475 22.950 17.085 1.00 0.00 C ATOM 3474 CD GLU D 56 -9.745 22.557 16.356 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -10.813 22.517 17.002 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -9.671 22.291 15.138 1.00 0.00 O ATOM 3477 OXT GLU D 56 -6.609 21.780 21.368 1.00 0.00 O ATOM 0 H GLU D 56 -5.374 22.267 18.307 1.00 0.00 H new ATOM 0 HA GLU D 56 -6.804 23.779 19.081 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -8.817 21.537 18.655 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -9.266 23.182 19.060 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -8.323 24.025 16.989 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -7.623 22.464 16.611 1.00 0.00 H new