USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=56 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 -11:sc= 1.76 USER MOD Set 1.2: D 53 THR OG1 : rot 57:sc= -0.912 USER MOD Set 2.1: B 53 THR OG1 : rot 59:sc= -0.941 USER MOD Set 2.2: D 44 THR OG1 : rot 0:sc= 1.62 USER MOD Set 3.1: A 53 THR OG1 : rot 54:sc= -0.691 USER MOD Set 3.2: C 44 THR OG1 : rot 8:sc= 1.62 USER MOD Set 4.1: A 44 THR OG1 : rot 4:sc= 1.54 USER MOD Set 4.2: C 53 THR OG1 : rot 57:sc= -0.819 USER MOD Single : A 1 MET CE :methyl 177:sc= -3.63 (180deg=-3.82) USER MOD Single : A 1 MET N :NH3+ -156:sc= 0.803 (180deg=0.0844) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.307 F(o=-0.99,f=-0.31) USER MOD Single : A 3 TYR OH : rot -72:sc= -2.08 USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 1.24 (180deg=0.873) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.758 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.0061) USER MOD Single : A 35 ASN :FLIP amide:sc= -1.61 F(o=-3.6,f=-1.6) USER MOD Single : A 37 ASN : amide:sc= -7.39! C(o=-7.4!,f=-15!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -110:sc= 0.318 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 162:sc= -2.31 USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.286 USER MOD Single : B 1 MET CE :methyl 176:sc= -3.61 (180deg=-3.87) USER MOD Single : B 1 MET N :NH3+ -154:sc= 0.866 (180deg=0.138) USER MOD Single : B 2 GLN :FLIP amide:sc= -0.261 F(o=-0.94,f=-0.26) USER MOD Single : B 3 TYR OH : rot -67:sc= -1.96 USER MOD Single : B 4 LYS NZ :NH3+ -160:sc= 1.26 (180deg=0.934) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.752 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.0034) USER MOD Single : B 35 ASN :FLIP amide:sc= -1.71 F(o=-3.7,f=-1.7) USER MOD Single : B 37 ASN : amide:sc= -7.41! C(o=-7.4!,f=-15!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 50 LYS NZ :NH3+ -111:sc= 0.298 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 162:sc= -2.26 USER MOD Single : B 55 THR OG1 : rot -170:sc= -0.276 USER MOD Single : C 1 MET CE :methyl 173:sc= -3.69! (180deg=-3.92) USER MOD Single : C 1 MET N :NH3+ -149:sc= 0.774 (180deg=0.0634) USER MOD Single : C 2 GLN :FLIP amide:sc= -0.312 F(o=-1,f=-0.31) USER MOD Single : C 3 TYR OH : rot -76:sc= -2.03 USER MOD Single : C 4 LYS NZ :NH3+ -158:sc= 1.34 (180deg=0.858) USER MOD Single : C 25 THR OG1 : rot 180:sc= -0.763 USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 32 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.0095) USER MOD Single : C 35 ASN :FLIP amide:sc= -1.76 F(o=-3.7,f=-1.8) USER MOD Single : C 37 ASN : amide:sc= -7.24! C(o=-7.2!,f=-15!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 LYS NZ :NH3+ -110:sc= 0.306 (180deg=0) USER MOD Single : C 51 THR OG1 : rot 161:sc= -2.26 USER MOD Single : C 55 THR OG1 : rot -170:sc= -0.267 USER MOD Single : D 1 MET CE :methyl 176:sc= -3.67 (180deg=-3.94) USER MOD Single : D 1 MET N :NH3+ -150:sc= 0.806 (180deg=0.0791) USER MOD Single : D 2 GLN :FLIP amide:sc= -0.308 F(o=-0.99,f=-0.31) USER MOD Single : D 3 TYR OH : rot -75:sc= -2.05 USER MOD Single : D 4 LYS NZ :NH3+ -167:sc= 1.27 (180deg=0.925) USER MOD Single : D 25 THR OG1 : rot 180:sc= -0.752 USER MOD Single : D 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 32 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.0051) USER MOD Single : D 35 ASN :FLIP amide:sc= -1.64 F(o=-3.7,f=-1.6) USER MOD Single : D 37 ASN : amide:sc= -7.31! C(o=-7.3!,f=-15!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 49 THR OG1 : rot 180:sc= 0 USER MOD Single : D 50 LYS NZ :NH3+ -110:sc= 0.302 (180deg=0) USER MOD Single : D 51 THR OG1 : rot 161:sc= -2.28 USER MOD Single : D 55 THR OG1 : rot -170:sc= -0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.315 20.785 -0.166 1.00 0.00 N ATOM 2 CA MET A 1 9.615 19.940 0.838 1.00 0.00 C ATOM 3 C MET A 1 8.145 19.760 0.477 1.00 0.00 C ATOM 4 O MET A 1 7.474 20.711 0.079 1.00 0.00 O ATOM 5 CB MET A 1 9.745 20.605 2.210 1.00 0.00 C ATOM 6 CG MET A 1 11.068 20.319 2.902 1.00 0.00 C ATOM 7 SD MET A 1 10.961 18.941 4.060 1.00 0.00 S ATOM 8 CE MET A 1 10.060 17.744 3.080 1.00 0.00 C ATOM 0 H1 MET A 1 11.333 20.573 -0.149 1.00 0.00 H new ATOM 0 H2 MET A 1 9.935 20.585 -1.113 1.00 0.00 H new ATOM 0 H3 MET A 1 10.167 21.789 0.062 1.00 0.00 H new ATOM 0 HA MET A 1 10.072 18.951 0.855 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.631 21.683 2.094 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.930 20.265 2.848 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.827 20.099 2.151 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.396 21.212 3.435 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.961 16.815 3.641 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.069 18.135 2.848 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.600 17.552 2.153 1.00 0.00 H new ATOM 20 N GLN A 2 7.654 18.534 0.622 1.00 0.00 N ATOM 21 CA GLN A 2 6.261 18.228 0.311 1.00 0.00 C ATOM 22 C GLN A 2 5.370 18.488 1.521 1.00 0.00 C ATOM 23 O GLN A 2 5.595 17.939 2.599 1.00 0.00 O ATOM 24 CB GLN A 2 6.126 16.769 -0.131 1.00 0.00 C ATOM 25 CG GLN A 2 4.767 16.434 -0.724 1.00 0.00 C ATOM 26 CD GLN A 2 4.818 15.244 -1.661 1.00 0.00 C ATOM 27 OE1 GLN A 2 5.149 15.497 -2.922 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 4.564 14.109 -1.257 1.00 0.00 N flip ATOM 0 H GLN A 2 8.198 17.737 0.952 1.00 0.00 H new ATOM 0 HA GLN A 2 5.941 18.878 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.898 16.549 -0.868 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.309 16.121 0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.064 16.227 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.386 17.301 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.314 13.960 -0.279 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.604 13.318 -1.900 1.00 0.00 H new ATOM 37 N TYR A 3 4.367 19.342 1.338 1.00 0.00 N ATOM 38 CA TYR A 3 3.453 19.686 2.421 1.00 0.00 C ATOM 39 C TYR A 3 2.067 19.082 2.216 1.00 0.00 C ATOM 40 O TYR A 3 1.460 19.218 1.154 1.00 0.00 O ATOM 41 CB TYR A 3 3.345 21.205 2.562 1.00 0.00 C ATOM 42 CG TYR A 3 4.493 21.818 3.331 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.582 21.668 4.710 1.00 0.00 C ATOM 44 CD2 TYR A 3 5.486 22.541 2.685 1.00 0.00 C ATOM 45 CE1 TYR A 3 5.628 22.223 5.422 1.00 0.00 C ATOM 46 CE2 TYR A 3 6.536 23.099 3.390 1.00 0.00 C ATOM 47 CZ TYR A 3 6.602 22.937 4.758 1.00 0.00 C ATOM 48 OH TYR A 3 7.646 23.489 5.463 1.00 0.00 O ATOM 0 H TYR A 3 4.167 19.807 0.452 1.00 0.00 H new ATOM 0 HA TYR A 3 3.865 19.264 3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.302 21.653 1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.409 21.451 3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.821 21.108 5.234 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.438 22.670 1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.682 22.098 6.493 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.301 23.659 2.872 1.00 0.00 H new ATOM 0 HH TYR A 3 7.321 24.253 5.984 1.00 0.00 H new ATOM 58 N LYS A 4 1.583 18.417 3.260 1.00 0.00 N ATOM 59 CA LYS A 4 0.270 17.782 3.232 1.00 0.00 C ATOM 60 C LYS A 4 -0.729 18.577 4.068 1.00 0.00 C ATOM 61 O LYS A 4 -0.487 18.854 5.243 1.00 0.00 O ATOM 62 CB LYS A 4 0.363 16.347 3.758 1.00 0.00 C ATOM 63 CG LYS A 4 -0.635 15.397 3.112 1.00 0.00 C ATOM 64 CD LYS A 4 -0.029 14.023 2.876 1.00 0.00 C ATOM 65 CE LYS A 4 -0.380 13.056 3.996 1.00 0.00 C ATOM 66 NZ LYS A 4 0.445 11.818 3.944 1.00 0.00 N ATOM 0 H LYS A 4 2.084 18.303 4.141 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.077 17.760 2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.372 15.971 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.202 16.353 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.514 15.303 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.973 15.814 2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.386 13.625 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.055 14.111 2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.235 13.548 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.435 12.791 3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.095 11.138 4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.381 11.398 2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.437 12.053 4.152 1.00 0.00 H new ATOM 80 N VAL A 5 -1.849 18.949 3.454 1.00 0.00 N ATOM 81 CA VAL A 5 -2.878 19.717 4.147 1.00 0.00 C ATOM 82 C VAL A 5 -4.276 19.276 3.724 1.00 0.00 C ATOM 83 O VAL A 5 -4.600 19.259 2.536 1.00 0.00 O ATOM 84 CB VAL A 5 -2.729 21.228 3.882 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.653 22.023 4.791 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.283 21.667 4.066 1.00 0.00 C ATOM 0 H VAL A 5 -2.066 18.732 2.481 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.746 19.527 5.212 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.014 21.424 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.534 23.088 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.687 21.732 4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.402 21.820 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.200 22.737 3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.966 21.456 5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.646 21.123 3.369 1.00 0.00 H new ATOM 96 N ILE A 6 -5.100 18.920 4.705 1.00 0.00 N ATOM 97 CA ILE A 6 -6.465 18.479 4.438 1.00 0.00 C ATOM 98 C ILE A 6 -7.455 19.638 4.528 1.00 0.00 C ATOM 99 O ILE A 6 -7.535 20.320 5.549 1.00 0.00 O ATOM 100 CB ILE A 6 -6.899 17.374 5.422 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.830 16.284 5.506 1.00 0.00 C ATOM 102 CG2 ILE A 6 -8.235 16.780 4.999 1.00 0.00 C ATOM 103 CD1 ILE A 6 -6.084 15.271 6.601 1.00 0.00 C ATOM 0 H ILE A 6 -4.846 18.928 5.693 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.472 18.082 3.423 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.017 17.818 6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.775 15.766 4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.859 16.751 5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.527 16.002 5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.994 17.562 4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.143 16.350 4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.286 14.528 6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.109 15.777 7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.040 14.777 6.425 1.00 0.00 H new ATOM 115 N LEU A 7 -8.217 19.847 3.458 1.00 0.00 N ATOM 116 CA LEU A 7 -9.216 20.913 3.419 1.00 0.00 C ATOM 117 C LEU A 7 -10.525 20.383 2.843 1.00 0.00 C ATOM 118 O LEU A 7 -10.594 20.023 1.667 1.00 0.00 O ATOM 119 CB LEU A 7 -8.711 22.101 2.589 1.00 0.00 C ATOM 120 CG LEU A 7 -8.059 23.229 3.395 1.00 0.00 C ATOM 121 CD1 LEU A 7 -6.559 23.009 3.497 1.00 0.00 C ATOM 122 CD2 LEU A 7 -8.362 24.587 2.769 1.00 0.00 C ATOM 0 H LEU A 7 -8.162 19.291 2.604 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.392 21.259 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.989 21.733 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.549 22.514 2.028 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.479 23.219 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.111 23.819 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.364 22.059 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.125 22.991 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.889 25.373 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.974 24.613 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.440 24.747 2.750 1.00 0.00 H new ATOM 337 N ASP A 22 -12.401 24.815 2.761 1.00 0.00 N ATOM 338 CA ASP A 22 -12.956 24.402 1.478 1.00 0.00 C ATOM 339 C ASP A 22 -11.869 24.218 0.431 1.00 0.00 C ATOM 340 O ASP A 22 -10.878 24.946 0.403 1.00 0.00 O ATOM 341 CB ASP A 22 -13.968 25.438 0.992 1.00 0.00 C ATOM 342 CG ASP A 22 -14.690 24.999 -0.266 1.00 0.00 C ATOM 343 OD1 ASP A 22 -15.170 23.846 -0.304 1.00 0.00 O ATOM 344 OD2 ASP A 22 -14.778 25.809 -1.214 1.00 0.00 O ATOM 0 HA ASP A 22 -13.451 23.442 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.698 25.625 1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.455 26.381 0.802 1.00 0.00 H new ATOM 349 N ALA A 23 -12.069 23.233 -0.428 1.00 0.00 N ATOM 350 CA ALA A 23 -11.124 22.930 -1.492 1.00 0.00 C ATOM 351 C ALA A 23 -10.764 24.184 -2.290 1.00 0.00 C ATOM 352 O ALA A 23 -9.598 24.416 -2.613 1.00 0.00 O ATOM 353 CB ALA A 23 -11.724 21.861 -2.386 1.00 0.00 C ATOM 0 H ALA A 23 -12.886 22.623 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.196 22.559 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.026 21.624 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.920 20.964 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.658 22.226 -2.814 1.00 0.00 H new ATOM 359 N ALA A 24 -11.774 24.993 -2.596 1.00 0.00 N ATOM 360 CA ALA A 24 -11.574 26.230 -3.344 1.00 0.00 C ATOM 361 C ALA A 24 -10.781 27.248 -2.525 1.00 0.00 C ATOM 362 O ALA A 24 -10.061 28.078 -3.078 1.00 0.00 O ATOM 363 CB ALA A 24 -12.914 26.816 -3.762 1.00 0.00 C ATOM 0 H ALA A 24 -12.744 24.813 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.997 25.995 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.750 27.738 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.443 26.101 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.511 27.029 -2.875 1.00 0.00 H new ATOM 369 N THR A 25 -10.922 27.177 -1.203 1.00 0.00 N ATOM 370 CA THR A 25 -10.221 28.092 -0.306 1.00 0.00 C ATOM 371 C THR A 25 -8.713 27.920 -0.444 1.00 0.00 C ATOM 372 O THR A 25 -7.959 28.894 -0.440 1.00 0.00 O ATOM 373 CB THR A 25 -10.654 27.838 1.145 1.00 0.00 C ATOM 374 OG1 THR A 25 -12.037 28.091 1.307 1.00 0.00 O ATOM 375 CG2 THR A 25 -9.915 28.679 2.164 1.00 0.00 C ATOM 0 H THR A 25 -11.515 26.495 -0.730 1.00 0.00 H new ATOM 0 HA THR A 25 -10.478 29.116 -0.578 1.00 0.00 H new ATOM 0 HB THR A 25 -10.413 26.791 1.328 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.294 27.922 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.278 28.441 3.164 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.847 28.467 2.105 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.087 29.735 1.957 1.00 0.00 H new ATOM 383 N PHE A 26 -8.282 26.673 -0.587 1.00 0.00 N ATOM 384 CA PHE A 26 -6.868 26.370 -0.749 1.00 0.00 C ATOM 385 C PHE A 26 -6.351 26.888 -2.089 1.00 0.00 C ATOM 386 O PHE A 26 -5.326 27.564 -2.155 1.00 0.00 O ATOM 387 CB PHE A 26 -6.623 24.865 -0.641 1.00 0.00 C ATOM 388 CG PHE A 26 -5.199 24.517 -0.311 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.687 24.770 0.952 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.373 23.940 -1.262 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.378 24.455 1.260 1.00 0.00 C ATOM 392 CE2 PHE A 26 -3.062 23.622 -0.959 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.565 23.881 0.303 1.00 0.00 C ATOM 0 H PHE A 26 -8.892 25.856 -0.594 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.324 26.873 0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.278 24.451 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.897 24.391 -1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.319 25.219 1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.757 23.736 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.991 24.657 2.248 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.428 23.172 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.541 23.635 0.541 1.00 0.00 H new ATOM 403 N GLU A 27 -7.067 26.549 -3.159 1.00 0.00 N ATOM 404 CA GLU A 27 -6.685 26.957 -4.509 1.00 0.00 C ATOM 405 C GLU A 27 -6.484 28.467 -4.625 1.00 0.00 C ATOM 406 O GLU A 27 -5.442 28.928 -5.092 1.00 0.00 O ATOM 407 CB GLU A 27 -7.744 26.500 -5.513 1.00 0.00 C ATOM 408 CG GLU A 27 -7.847 24.989 -5.644 1.00 0.00 C ATOM 409 CD GLU A 27 -8.899 24.561 -6.650 1.00 0.00 C ATOM 410 OE1 GLU A 27 -9.143 25.319 -7.612 1.00 0.00 O ATOM 411 OE2 GLU A 27 -9.479 23.469 -6.473 1.00 0.00 O ATOM 0 H GLU A 27 -7.919 25.990 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.730 26.481 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.713 26.897 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.515 26.926 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.879 24.587 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.084 24.559 -4.671 1.00 0.00 H new ATOM 418 N LYS A 28 -7.497 29.233 -4.237 1.00 0.00 N ATOM 419 CA LYS A 28 -7.439 30.689 -4.337 1.00 0.00 C ATOM 420 C LYS A 28 -6.381 31.296 -3.415 1.00 0.00 C ATOM 421 O LYS A 28 -5.563 32.104 -3.855 1.00 0.00 O ATOM 422 CB LYS A 28 -8.807 31.293 -4.016 1.00 0.00 C ATOM 423 CG LYS A 28 -8.885 32.791 -4.259 1.00 0.00 C ATOM 424 CD LYS A 28 -10.324 33.258 -4.405 1.00 0.00 C ATOM 425 CE LYS A 28 -10.863 32.975 -5.798 1.00 0.00 C ATOM 426 NZ LYS A 28 -10.477 34.035 -6.769 1.00 0.00 N ATOM 0 H LYS A 28 -8.369 28.872 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.157 30.928 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.565 30.796 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.048 31.090 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.412 33.320 -3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.326 33.044 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.947 32.757 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.383 34.327 -4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.487 32.012 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.950 32.898 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.864 33.805 -7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.857 34.950 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.440 34.092 -6.827 1.00 0.00 H new ATOM 440 N VAL A 29 -6.399 30.918 -2.142 1.00 0.00 N ATOM 441 CA VAL A 29 -5.435 31.449 -1.179 1.00 0.00 C ATOM 442 C VAL A 29 -3.999 31.071 -1.531 1.00 0.00 C ATOM 443 O VAL A 29 -3.092 31.894 -1.420 1.00 0.00 O ATOM 444 CB VAL A 29 -5.742 30.962 0.254 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.760 31.562 1.258 1.00 0.00 C ATOM 446 CG2 VAL A 29 -7.175 31.303 0.634 1.00 0.00 C ATOM 0 H VAL A 29 -7.065 30.251 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.532 32.534 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.626 29.879 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.998 31.203 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.745 31.263 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.835 32.649 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.376 30.953 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.316 32.383 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.861 30.818 -0.060 1.00 0.00 H new ATOM 456 N VAL A 30 -3.793 29.825 -1.942 1.00 0.00 N ATOM 457 CA VAL A 30 -2.456 29.355 -2.284 1.00 0.00 C ATOM 458 C VAL A 30 -1.946 29.981 -3.577 1.00 0.00 C ATOM 459 O VAL A 30 -0.805 30.441 -3.634 1.00 0.00 O ATOM 460 CB VAL A 30 -2.394 27.813 -2.380 1.00 0.00 C ATOM 461 CG1 VAL A 30 -0.988 27.336 -2.726 1.00 0.00 C ATOM 462 CG2 VAL A 30 -2.859 27.183 -1.076 1.00 0.00 C ATOM 0 H VAL A 30 -4.529 29.126 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.803 29.673 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.062 27.500 -3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.978 26.248 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.687 27.755 -3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.292 27.663 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.810 26.097 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.215 27.514 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.886 27.485 -0.872 1.00 0.00 H new ATOM 472 N LYS A 31 -2.779 30.018 -4.611 1.00 0.00 N ATOM 473 CA LYS A 31 -2.374 30.608 -5.877 1.00 0.00 C ATOM 474 C LYS A 31 -2.084 32.093 -5.702 1.00 0.00 C ATOM 475 O LYS A 31 -1.068 32.602 -6.175 1.00 0.00 O ATOM 476 CB LYS A 31 -3.472 30.407 -6.923 1.00 0.00 C ATOM 477 CG LYS A 31 -3.031 30.715 -8.344 1.00 0.00 C ATOM 478 CD LYS A 31 -4.196 30.621 -9.316 1.00 0.00 C ATOM 479 CE LYS A 31 -3.807 31.107 -10.702 1.00 0.00 C ATOM 480 NZ LYS A 31 -4.834 30.758 -11.721 1.00 0.00 N ATOM 0 H LYS A 31 -3.730 29.650 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.464 30.114 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.820 29.375 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.321 31.042 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.600 31.716 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.248 30.018 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.539 29.588 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.031 31.214 -8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.668 32.188 -10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.850 30.668 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.531 31.107 -12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.949 29.725 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.741 31.198 -11.465 1.00 0.00 H new ATOM 494 N GLN A 32 -2.983 32.781 -5.009 1.00 0.00 N ATOM 495 CA GLN A 32 -2.826 34.206 -4.761 1.00 0.00 C ATOM 496 C GLN A 32 -1.575 34.489 -3.933 1.00 0.00 C ATOM 497 O GLN A 32 -0.791 35.376 -4.266 1.00 0.00 O ATOM 498 CB GLN A 32 -4.060 34.759 -4.047 1.00 0.00 C ATOM 499 CG GLN A 32 -4.062 36.274 -3.920 1.00 0.00 C ATOM 500 CD GLN A 32 -5.461 36.851 -3.838 1.00 0.00 C ATOM 501 OE1 GLN A 32 -5.815 37.516 -2.865 1.00 0.00 O ATOM 502 NE2 GLN A 32 -6.267 36.598 -4.863 1.00 0.00 N ATOM 0 H GLN A 32 -3.828 32.374 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.716 34.703 -5.725 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.953 34.447 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.121 34.319 -3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.502 36.561 -3.030 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.544 36.707 -4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.932 36.042 -5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.221 36.960 -4.863 1.00 0.00 H new ATOM 511 N PHE A 33 -1.384 33.727 -2.857 1.00 0.00 N ATOM 512 CA PHE A 33 -0.222 33.892 -1.991 1.00 0.00 C ATOM 513 C PHE A 33 1.083 33.509 -2.692 1.00 0.00 C ATOM 514 O PHE A 33 2.075 34.234 -2.608 1.00 0.00 O ATOM 515 CB PHE A 33 -0.447 33.095 -0.689 1.00 0.00 C ATOM 516 CG PHE A 33 0.798 32.705 0.061 1.00 0.00 C ATOM 517 CD1 PHE A 33 1.710 33.652 0.500 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.038 31.370 0.343 1.00 0.00 C ATOM 519 CE1 PHE A 33 2.845 33.268 1.196 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.165 30.981 1.039 1.00 0.00 C ATOM 521 CZ PHE A 33 3.071 31.928 1.463 1.00 0.00 C ATOM 0 H PHE A 33 -2.023 32.987 -2.565 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.115 34.948 -1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.078 33.688 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.002 32.189 -0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.534 34.698 0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.332 30.622 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.552 34.013 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.336 29.936 1.251 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.956 31.626 2.003 1.00 0.00 H new ATOM 531 N PHE A 34 1.085 32.372 -3.379 1.00 0.00 N ATOM 532 CA PHE A 34 2.281 31.914 -4.079 1.00 0.00 C ATOM 533 C PHE A 34 2.554 32.694 -5.366 1.00 0.00 C ATOM 534 O PHE A 34 3.711 32.932 -5.709 1.00 0.00 O ATOM 535 CB PHE A 34 2.220 30.408 -4.328 1.00 0.00 C ATOM 536 CG PHE A 34 2.630 29.629 -3.110 1.00 0.00 C ATOM 537 CD1 PHE A 34 1.741 29.417 -2.070 1.00 0.00 C ATOM 538 CD2 PHE A 34 3.925 29.145 -2.990 1.00 0.00 C ATOM 539 CE1 PHE A 34 2.133 28.738 -0.932 1.00 0.00 C ATOM 540 CE2 PHE A 34 4.320 28.460 -1.857 1.00 0.00 C ATOM 541 CZ PHE A 34 3.424 28.259 -0.826 1.00 0.00 C ATOM 0 H PHE A 34 0.278 31.754 -3.466 1.00 0.00 H new ATOM 0 HA PHE A 34 3.129 32.116 -3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.207 30.127 -4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.872 30.150 -5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.729 29.787 -2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.632 29.305 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.431 28.582 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.329 28.082 -1.778 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.732 27.728 0.062 1.00 0.00 H new ATOM 551 N ASN A 35 1.503 33.109 -6.070 1.00 0.00 N ATOM 552 CA ASN A 35 1.681 33.883 -7.302 1.00 0.00 C ATOM 553 C ASN A 35 2.530 35.131 -7.046 1.00 0.00 C ATOM 554 O ASN A 35 3.273 35.582 -7.917 1.00 0.00 O ATOM 555 CB ASN A 35 0.325 34.276 -7.905 1.00 0.00 C ATOM 556 CG ASN A 35 -0.313 33.176 -8.747 1.00 0.00 C ATOM 557 OD1 ASN A 35 -0.040 31.914 -8.427 1.00 0.00 O flip ATOM 558 ND2 ASN A 35 -1.047 33.466 -9.693 1.00 0.00 N flip ATOM 0 H ASN A 35 0.532 32.927 -5.816 1.00 0.00 H new ATOM 0 HA ASN A 35 2.205 33.250 -8.018 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.357 34.546 -7.099 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.456 35.165 -8.523 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.236 34.444 -9.911 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.466 32.728 -10.258 1.00 0.00 H new ATOM 565 N ASP A 36 2.415 35.671 -5.839 1.00 0.00 N ATOM 566 CA ASP A 36 3.166 36.858 -5.432 1.00 0.00 C ATOM 567 C ASP A 36 4.681 36.617 -5.454 1.00 0.00 C ATOM 568 O ASP A 36 5.464 37.567 -5.448 1.00 0.00 O ATOM 569 CB ASP A 36 2.729 37.306 -4.037 1.00 0.00 C ATOM 570 CG ASP A 36 1.253 37.650 -3.976 1.00 0.00 C ATOM 571 OD1 ASP A 36 0.689 38.038 -5.021 1.00 0.00 O ATOM 572 OD2 ASP A 36 0.661 37.532 -2.882 1.00 0.00 O ATOM 0 H ASP A 36 1.800 35.301 -5.114 1.00 0.00 H new ATOM 0 HA ASP A 36 2.947 37.645 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.945 36.514 -3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.315 38.175 -3.737 1.00 0.00 H new ATOM 577 N ASN A 37 5.091 35.347 -5.467 1.00 0.00 N ATOM 578 CA ASN A 37 6.515 35.009 -5.476 1.00 0.00 C ATOM 579 C ASN A 37 6.978 34.519 -6.851 1.00 0.00 C ATOM 580 O ASN A 37 8.166 34.583 -7.167 1.00 0.00 O ATOM 581 CB ASN A 37 6.835 33.963 -4.403 1.00 0.00 C ATOM 582 CG ASN A 37 6.229 32.607 -4.699 1.00 0.00 C ATOM 583 OD1 ASN A 37 6.487 32.013 -5.745 1.00 0.00 O ATOM 584 ND2 ASN A 37 5.421 32.108 -3.772 1.00 0.00 N ATOM 0 H ASN A 37 4.464 34.543 -5.471 1.00 0.00 H new ATOM 0 HA ASN A 37 7.062 35.924 -5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.917 33.860 -4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.469 34.316 -3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.986 31.196 -3.912 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.235 32.636 -2.919 1.00 0.00 H new ATOM 591 N GLY A 38 6.041 34.048 -7.674 1.00 0.00 N ATOM 592 CA GLY A 38 6.400 33.581 -9.006 1.00 0.00 C ATOM 593 C GLY A 38 5.833 32.213 -9.363 1.00 0.00 C ATOM 594 O GLY A 38 6.268 31.602 -10.339 1.00 0.00 O ATOM 0 H GLY A 38 5.049 33.982 -7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.052 34.308 -9.740 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.486 33.543 -9.085 1.00 0.00 H new ATOM 598 N VAL A 39 4.865 31.727 -8.591 1.00 0.00 N ATOM 599 CA VAL A 39 4.260 30.427 -8.866 1.00 0.00 C ATOM 600 C VAL A 39 3.077 30.579 -9.816 1.00 0.00 C ATOM 601 O VAL A 39 2.334 31.558 -9.743 1.00 0.00 O ATOM 602 CB VAL A 39 3.790 29.732 -7.573 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.300 28.319 -7.867 1.00 0.00 C ATOM 604 CG2 VAL A 39 4.909 29.713 -6.543 1.00 0.00 C ATOM 0 H VAL A 39 4.485 32.209 -7.776 1.00 0.00 H new ATOM 0 HA VAL A 39 5.026 29.807 -9.331 1.00 0.00 H new ATOM 0 HB VAL A 39 2.955 30.299 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.973 27.847 -6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.465 28.362 -8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.111 27.736 -8.305 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.560 29.219 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.765 29.171 -6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.205 30.735 -6.308 1.00 0.00 H new ATOM 614 N ASP A 40 2.907 29.611 -10.711 1.00 0.00 N ATOM 615 CA ASP A 40 1.813 29.652 -11.675 1.00 0.00 C ATOM 616 C ASP A 40 1.453 28.249 -12.158 1.00 0.00 C ATOM 617 O ASP A 40 2.068 27.264 -11.752 1.00 0.00 O ATOM 618 CB ASP A 40 2.192 30.530 -12.868 1.00 0.00 C ATOM 619 CG ASP A 40 2.204 32.006 -12.521 1.00 0.00 C ATOM 620 OD1 ASP A 40 1.145 32.654 -12.648 1.00 0.00 O ATOM 621 OD2 ASP A 40 3.274 32.513 -12.124 1.00 0.00 O ATOM 0 H ASP A 40 3.510 28.792 -10.789 1.00 0.00 H new ATOM 0 HA ASP A 40 0.942 30.078 -11.177 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.177 30.237 -13.232 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.487 30.357 -13.681 1.00 0.00 H new ATOM 626 N GLY A 41 0.450 28.173 -13.028 1.00 0.00 N ATOM 627 CA GLY A 41 0.016 26.892 -13.557 1.00 0.00 C ATOM 628 C GLY A 41 -1.433 26.593 -13.229 1.00 0.00 C ATOM 629 O GLY A 41 -2.268 27.497 -13.194 1.00 0.00 O ATOM 0 H GLY A 41 -0.071 28.978 -13.377 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.150 26.884 -14.639 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.648 26.102 -13.152 1.00 0.00 H new ATOM 633 N GLU A 42 -1.736 25.321 -12.989 1.00 0.00 N ATOM 634 CA GLU A 42 -3.096 24.908 -12.663 1.00 0.00 C ATOM 635 C GLU A 42 -3.093 23.695 -11.737 1.00 0.00 C ATOM 636 O GLU A 42 -2.127 22.933 -11.700 1.00 0.00 O ATOM 637 CB GLU A 42 -3.876 24.586 -13.940 1.00 0.00 C ATOM 638 CG GLU A 42 -4.175 25.807 -14.794 1.00 0.00 C ATOM 639 CD GLU A 42 -5.064 25.486 -15.979 1.00 0.00 C ATOM 640 OE1 GLU A 42 -5.857 24.525 -15.883 1.00 0.00 O ATOM 641 OE2 GLU A 42 -4.969 26.195 -17.003 1.00 0.00 O ATOM 0 H GLU A 42 -1.058 24.559 -13.014 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.583 25.735 -12.146 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.307 23.869 -14.532 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.815 24.103 -13.670 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.656 26.567 -14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.238 26.233 -15.152 1.00 0.00 H new ATOM 648 N TRP A 43 -4.179 23.524 -10.991 1.00 0.00 N ATOM 649 CA TRP A 43 -4.304 22.406 -10.063 1.00 0.00 C ATOM 650 C TRP A 43 -4.552 21.103 -10.804 1.00 0.00 C ATOM 651 O TRP A 43 -5.560 20.944 -11.492 1.00 0.00 O ATOM 652 CB TRP A 43 -5.428 22.668 -9.060 1.00 0.00 C ATOM 653 CG TRP A 43 -5.091 23.735 -8.063 1.00 0.00 C ATOM 654 CD1 TRP A 43 -5.441 25.054 -8.125 1.00 0.00 C ATOM 655 CD2 TRP A 43 -4.332 23.576 -6.858 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.948 25.724 -7.031 1.00 0.00 N ATOM 657 CE2 TRP A 43 -4.263 24.839 -6.239 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.705 22.489 -6.243 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.593 25.042 -5.036 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -3.040 22.693 -5.048 1.00 0.00 C ATOM 661 CH2 TRP A 43 -2.989 23.961 -4.455 1.00 0.00 C ATOM 0 H TRP A 43 -4.987 24.147 -11.011 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.363 22.313 -9.521 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.329 22.956 -9.601 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.657 21.743 -8.530 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.020 25.504 -8.918 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.072 26.718 -6.839 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.739 21.508 -6.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.551 26.019 -4.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.552 21.860 -4.564 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.462 24.088 -3.521 1.00 0.00 H new ATOM 672 N THR A 44 -3.620 20.173 -10.648 1.00 0.00 N ATOM 673 CA THR A 44 -3.723 18.873 -11.289 1.00 0.00 C ATOM 674 C THR A 44 -3.967 17.786 -10.254 1.00 0.00 C ATOM 675 O THR A 44 -3.396 17.808 -9.164 1.00 0.00 O ATOM 676 CB THR A 44 -2.451 18.565 -12.080 1.00 0.00 C ATOM 677 OG1 THR A 44 -1.331 18.493 -11.215 1.00 0.00 O ATOM 678 CG2 THR A 44 -2.145 19.593 -13.146 1.00 0.00 C ATOM 0 H THR A 44 -2.782 20.297 -10.080 1.00 0.00 H new ATOM 0 HA THR A 44 -4.568 18.898 -11.977 1.00 0.00 H new ATOM 0 HB THR A 44 -2.637 17.608 -12.567 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.629 18.587 -10.286 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.230 19.314 -13.669 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.970 19.637 -13.857 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.014 20.570 -12.682 1.00 0.00 H new ATOM 686 N TYR A 45 -4.809 16.832 -10.613 1.00 0.00 N ATOM 687 CA TYR A 45 -5.130 15.719 -9.729 1.00 0.00 C ATOM 688 C TYR A 45 -3.933 14.787 -9.571 1.00 0.00 C ATOM 689 O TYR A 45 -3.173 14.572 -10.515 1.00 0.00 O ATOM 690 CB TYR A 45 -6.335 14.941 -10.260 1.00 0.00 C ATOM 691 CG TYR A 45 -7.662 15.585 -9.930 1.00 0.00 C ATOM 692 CD1 TYR A 45 -8.249 15.404 -8.684 1.00 0.00 C ATOM 693 CD2 TYR A 45 -8.328 16.372 -10.860 1.00 0.00 C ATOM 694 CE1 TYR A 45 -9.462 15.988 -8.373 1.00 0.00 C ATOM 695 CE2 TYR A 45 -9.542 16.960 -10.558 1.00 0.00 C ATOM 696 CZ TYR A 45 -10.105 16.765 -9.314 1.00 0.00 C ATOM 697 OH TYR A 45 -11.313 17.349 -9.009 1.00 0.00 O ATOM 0 H TYR A 45 -5.286 16.804 -11.514 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.380 16.129 -8.750 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.246 14.844 -11.342 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.317 13.932 -9.847 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.748 14.796 -7.945 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.890 16.527 -11.835 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.904 15.837 -7.399 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.047 17.569 -11.293 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.631 17.864 -9.780 1.00 0.00 H new ATOM 707 N ASP A 46 -3.771 14.240 -8.371 1.00 0.00 N ATOM 708 CA ASP A 46 -2.664 13.332 -8.087 1.00 0.00 C ATOM 709 C ASP A 46 -2.876 11.983 -8.763 1.00 0.00 C ATOM 710 O ASP A 46 -4.000 11.622 -9.112 1.00 0.00 O ATOM 711 CB ASP A 46 -2.525 13.124 -6.577 1.00 0.00 C ATOM 712 CG ASP A 46 -1.820 14.275 -5.891 1.00 0.00 C ATOM 713 OD1 ASP A 46 -2.386 15.387 -5.864 1.00 0.00 O ATOM 714 OD2 ASP A 46 -0.701 14.064 -5.378 1.00 0.00 O ATOM 0 H ASP A 46 -4.392 14.409 -7.579 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.753 13.783 -8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.515 12.997 -6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.973 12.203 -6.391 1.00 0.00 H new ATOM 719 N ASP A 47 -1.789 11.239 -8.944 1.00 0.00 N ATOM 720 CA ASP A 47 -1.861 9.926 -9.574 1.00 0.00 C ATOM 721 C ASP A 47 -2.638 8.952 -8.693 1.00 0.00 C ATOM 722 O ASP A 47 -2.361 8.822 -7.502 1.00 0.00 O ATOM 723 CB ASP A 47 -0.454 9.386 -9.840 1.00 0.00 C ATOM 724 CG ASP A 47 -0.453 8.241 -10.833 1.00 0.00 C ATOM 725 OD1 ASP A 47 -0.383 8.511 -12.050 1.00 0.00 O ATOM 726 OD2 ASP A 47 -0.522 7.074 -10.395 1.00 0.00 O ATOM 0 H ASP A 47 -0.850 11.523 -8.664 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.384 10.029 -10.525 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.176 10.191 -10.218 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.013 9.050 -8.901 1.00 0.00 H new ATOM 731 N ALA A 48 -3.622 8.281 -9.286 1.00 0.00 N ATOM 732 CA ALA A 48 -4.454 7.328 -8.557 1.00 0.00 C ATOM 733 C ALA A 48 -3.617 6.254 -7.867 1.00 0.00 C ATOM 734 O ALA A 48 -2.614 5.788 -8.406 1.00 0.00 O ATOM 735 CB ALA A 48 -5.462 6.687 -9.496 1.00 0.00 C ATOM 0 H ALA A 48 -3.863 8.380 -10.272 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.985 7.880 -7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.077 5.978 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.099 7.459 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.935 6.163 -10.293 1.00 0.00 H new ATOM 741 N THR A 49 -4.047 5.867 -6.669 1.00 0.00 N ATOM 742 CA THR A 49 -3.354 4.845 -5.891 1.00 0.00 C ATOM 743 C THR A 49 -4.354 3.872 -5.273 1.00 0.00 C ATOM 744 O THR A 49 -5.525 4.206 -5.093 1.00 0.00 O ATOM 745 CB THR A 49 -2.505 5.494 -4.796 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.793 6.607 -5.307 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.498 4.548 -4.179 1.00 0.00 C ATOM 0 H THR A 49 -4.877 6.248 -6.214 1.00 0.00 H new ATOM 0 HA THR A 49 -2.698 4.290 -6.561 1.00 0.00 H new ATOM 0 HB THR A 49 -3.212 5.798 -4.025 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.257 7.009 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.930 5.072 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.020 3.702 -3.731 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.818 4.187 -4.950 1.00 0.00 H new ATOM 755 N LYS A 50 -3.892 2.664 -4.961 1.00 0.00 N ATOM 756 CA LYS A 50 -4.760 1.647 -4.373 1.00 0.00 C ATOM 757 C LYS A 50 -4.198 1.131 -3.050 1.00 0.00 C ATOM 758 O LYS A 50 -3.098 0.583 -3.000 1.00 0.00 O ATOM 759 CB LYS A 50 -4.940 0.482 -5.347 1.00 0.00 C ATOM 760 CG LYS A 50 -5.950 0.759 -6.448 1.00 0.00 C ATOM 761 CD LYS A 50 -5.757 -0.179 -7.629 1.00 0.00 C ATOM 762 CE LYS A 50 -6.323 0.414 -8.909 1.00 0.00 C ATOM 763 NZ LYS A 50 -5.949 -0.389 -10.106 1.00 0.00 N ATOM 0 H LYS A 50 -2.927 2.366 -5.104 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.727 2.109 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.977 0.246 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.255 -0.401 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.960 0.646 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.852 1.792 -6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.695 -0.386 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.244 -1.132 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.409 0.470 -8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.959 1.434 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.268 0.145 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.518 -1.285 -9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.800 -0.588 -10.670 1.00 0.00 H new ATOM 777 N THR A 51 -4.974 1.309 -1.984 1.00 0.00 N ATOM 778 CA THR A 51 -4.576 0.861 -0.654 1.00 0.00 C ATOM 779 C THR A 51 -5.378 -0.375 -0.246 1.00 0.00 C ATOM 780 O THR A 51 -6.602 -0.403 -0.379 1.00 0.00 O ATOM 781 CB THR A 51 -4.771 1.997 0.361 1.00 0.00 C ATOM 782 OG1 THR A 51 -3.875 3.060 0.091 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.556 1.579 1.803 1.00 0.00 C ATOM 0 H THR A 51 -5.887 1.763 -2.017 1.00 0.00 H new ATOM 0 HA THR A 51 -3.521 0.589 -0.672 1.00 0.00 H new ATOM 0 HB THR A 51 -5.811 2.302 0.247 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.189 3.874 0.538 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.712 2.437 2.458 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.263 0.791 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.538 1.209 1.927 1.00 0.00 H new ATOM 791 N PHE A 52 -4.682 -1.397 0.247 1.00 0.00 N ATOM 792 CA PHE A 52 -5.330 -2.633 0.672 1.00 0.00 C ATOM 793 C PHE A 52 -5.934 -2.491 2.066 1.00 0.00 C ATOM 794 O PHE A 52 -5.217 -2.274 3.043 1.00 0.00 O ATOM 795 CB PHE A 52 -4.331 -3.792 0.657 1.00 0.00 C ATOM 796 CG PHE A 52 -4.957 -5.127 0.946 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.564 -5.856 -0.063 1.00 0.00 C ATOM 798 CD2 PHE A 52 -4.938 -5.652 2.229 1.00 0.00 C ATOM 799 CE1 PHE A 52 -6.141 -7.084 0.201 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.514 -6.880 2.499 1.00 0.00 C ATOM 801 CZ PHE A 52 -6.116 -7.597 1.483 1.00 0.00 C ATOM 0 H PHE A 52 -3.668 -1.392 0.362 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.136 -2.843 -0.032 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.846 -3.831 -0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.551 -3.598 1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.587 -5.460 -1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.468 -5.096 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.611 -7.642 -0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.493 -7.278 3.503 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.566 -8.557 1.691 1.00 0.00 H new ATOM 811 N THR A 53 -7.254 -2.623 2.156 1.00 0.00 N ATOM 812 CA THR A 53 -7.943 -2.519 3.438 1.00 0.00 C ATOM 813 C THR A 53 -8.073 -3.894 4.085 1.00 0.00 C ATOM 814 O THR A 53 -8.613 -4.823 3.486 1.00 0.00 O ATOM 815 CB THR A 53 -9.328 -1.891 3.253 1.00 0.00 C ATOM 816 OG1 THR A 53 -9.219 -0.606 2.666 1.00 0.00 O ATOM 817 CG2 THR A 53 -10.096 -1.737 4.548 1.00 0.00 C ATOM 0 H THR A 53 -7.866 -2.802 1.360 1.00 0.00 H new ATOM 0 HA THR A 53 -7.354 -1.878 4.093 1.00 0.00 H new ATOM 0 HB THR A 53 -9.872 -2.579 2.607 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.696 -0.667 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.067 -1.286 4.344 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.239 -2.716 5.005 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.535 -1.097 5.230 1.00 0.00 H new ATOM 825 N VAL A 54 -7.573 -4.019 5.311 1.00 0.00 N ATOM 826 CA VAL A 54 -7.633 -5.286 6.031 1.00 0.00 C ATOM 827 C VAL A 54 -9.055 -5.593 6.484 1.00 0.00 C ATOM 828 O VAL A 54 -9.882 -4.693 6.629 1.00 0.00 O ATOM 829 CB VAL A 54 -6.710 -5.292 7.266 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.549 -6.706 7.802 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.354 -4.684 6.934 1.00 0.00 C ATOM 0 H VAL A 54 -7.123 -3.261 5.825 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.294 -6.052 5.333 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.172 -4.680 8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.895 -6.692 8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.524 -7.100 8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.112 -7.340 7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.721 -4.700 7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.881 -5.262 6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.488 -3.654 6.602 1.00 0.00 H new ATOM 841 N THR A 55 -9.330 -6.873 6.707 1.00 0.00 N ATOM 842 CA THR A 55 -10.650 -7.307 7.147 1.00 0.00 C ATOM 843 C THR A 55 -10.550 -8.565 8.000 1.00 0.00 C ATOM 844 O THR A 55 -10.789 -8.533 9.207 1.00 0.00 O ATOM 845 CB THR A 55 -11.554 -7.561 5.939 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.642 -6.402 5.129 1.00 0.00 O ATOM 847 CG2 THR A 55 -12.963 -7.963 6.318 1.00 0.00 C ATOM 0 H THR A 55 -8.655 -7.629 6.590 1.00 0.00 H new ATOM 0 HA THR A 55 -11.085 -6.513 7.755 1.00 0.00 H new ATOM 0 HB THR A 55 -11.091 -8.388 5.400 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.341 -6.527 4.454 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.550 -8.128 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.934 -8.881 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.421 -7.170 6.909 1.00 0.00 H new ATOM 855 N GLU A 56 -10.191 -9.670 7.362 1.00 0.00 N ATOM 856 CA GLU A 56 -10.052 -10.947 8.054 1.00 0.00 C ATOM 857 C GLU A 56 -11.366 -11.361 8.709 1.00 0.00 C ATOM 858 O GLU A 56 -12.118 -12.140 8.086 1.00 0.00 O ATOM 859 CB GLU A 56 -8.946 -10.863 9.107 1.00 0.00 C ATOM 860 CG GLU A 56 -7.627 -10.337 8.564 1.00 0.00 C ATOM 861 CD GLU A 56 -6.579 -10.161 9.645 1.00 0.00 C ATOM 862 OE1 GLU A 56 -6.385 -11.103 10.442 1.00 0.00 O ATOM 863 OE2 GLU A 56 -5.953 -9.082 9.694 1.00 0.00 O ATOM 864 OXT GLU A 56 -11.630 -10.906 9.841 1.00 0.00 O ATOM 0 H GLU A 56 -9.990 -9.709 6.363 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.784 -11.703 7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.278 -10.217 9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.785 -11.854 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.250 -11.025 7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.798 -9.381 8.070 1.00 0.00 H new ATOM 872 N MET B 1 -10.304 17.139 1.656 1.00 0.00 N ATOM 873 CA MET B 1 -9.423 16.879 0.487 1.00 0.00 C ATOM 874 C MET B 1 -7.955 17.067 0.851 1.00 0.00 C ATOM 875 O MET B 1 -7.595 18.022 1.537 1.00 0.00 O ATOM 876 CB MET B 1 -9.816 17.833 -0.642 1.00 0.00 C ATOM 877 CG MET B 1 -11.014 17.361 -1.450 1.00 0.00 C ATOM 878 SD MET B 1 -10.538 16.478 -2.948 1.00 0.00 S ATOM 879 CE MET B 1 -9.264 15.392 -2.311 1.00 0.00 C ATOM 0 H1 MET B 1 -11.192 16.609 1.546 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.824 16.834 2.527 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.513 18.156 1.714 1.00 0.00 H new ATOM 0 HA MET B 1 -9.550 15.845 0.165 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.038 18.812 -0.218 1.00 0.00 H new ATOM 0 HB3 MET B 1 -8.965 17.961 -1.311 1.00 0.00 H new ATOM 0 HG2 MET B 1 -11.632 16.711 -0.830 1.00 0.00 H new ATOM 0 HG3 MET B 1 -11.627 18.221 -1.719 1.00 0.00 H new ATOM 0 HE1 MET B 1 -8.920 14.730 -3.105 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.427 15.988 -1.947 1.00 0.00 H new ATOM 0 HE3 MET B 1 -9.669 14.797 -1.493 1.00 0.00 H new ATOM 891 N GLN B 2 -7.113 16.152 0.381 1.00 0.00 N ATOM 892 CA GLN B 2 -5.683 16.218 0.656 1.00 0.00 C ATOM 893 C GLN B 2 -4.975 17.079 -0.383 1.00 0.00 C ATOM 894 O GLN B 2 -5.066 16.821 -1.583 1.00 0.00 O ATOM 895 CB GLN B 2 -5.080 14.811 0.667 1.00 0.00 C ATOM 896 CG GLN B 2 -3.659 14.761 1.204 1.00 0.00 C ATOM 897 CD GLN B 2 -3.293 13.398 1.756 1.00 0.00 C ATOM 898 OE1 GLN B 2 -3.625 13.162 3.020 1.00 0.00 O flip ATOM 899 NE2 GLN B 2 -2.719 12.565 1.055 1.00 0.00 N flip ATOM 0 H GLN B 2 -7.396 15.357 -0.192 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.544 16.672 1.637 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.711 14.159 1.272 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.090 14.413 -0.348 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -2.964 15.025 0.407 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.544 15.509 1.988 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -2.482 12.788 0.088 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -2.480 11.652 1.441 1.00 0.00 H new ATOM 908 N TYR B 3 -4.281 18.114 0.084 1.00 0.00 N ATOM 909 CA TYR B 3 -3.571 19.021 -0.809 1.00 0.00 C ATOM 910 C TYR B 3 -2.057 18.848 -0.720 1.00 0.00 C ATOM 911 O TYR B 3 -1.475 18.857 0.365 1.00 0.00 O ATOM 912 CB TYR B 3 -3.950 20.470 -0.504 1.00 0.00 C ATOM 913 CG TYR B 3 -5.266 20.889 -1.119 1.00 0.00 C ATOM 914 CD1 TYR B 3 -5.368 21.122 -2.484 1.00 0.00 C ATOM 915 CD2 TYR B 3 -6.403 21.050 -0.337 1.00 0.00 C ATOM 916 CE1 TYR B 3 -6.567 21.504 -3.055 1.00 0.00 C ATOM 917 CE2 TYR B 3 -7.606 21.431 -0.901 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.683 21.657 -2.260 1.00 0.00 C ATOM 919 OH TYR B 3 -8.879 22.036 -2.824 1.00 0.00 O ATOM 0 H TYR B 3 -4.196 18.344 1.074 1.00 0.00 H new ATOM 0 HA TYR B 3 -3.871 18.773 -1.827 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -4.003 20.604 0.576 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.161 21.128 -0.868 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.496 21.003 -3.110 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.346 20.875 0.727 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.630 21.682 -4.118 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.482 21.551 -0.281 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.808 22.956 -3.154 1.00 0.00 H new ATOM 929 N LYS B 4 -1.438 18.694 -1.885 1.00 0.00 N ATOM 930 CA LYS B 4 0.007 18.522 -1.978 1.00 0.00 C ATOM 931 C LYS B 4 0.667 19.794 -2.503 1.00 0.00 C ATOM 932 O LYS B 4 0.297 20.306 -3.560 1.00 0.00 O ATOM 933 CB LYS B 4 0.344 17.343 -2.896 1.00 0.00 C ATOM 934 CG LYS B 4 1.617 16.609 -2.503 1.00 0.00 C ATOM 935 CD LYS B 4 1.480 15.107 -2.701 1.00 0.00 C ATOM 936 CE LYS B 4 2.065 14.664 -4.032 1.00 0.00 C ATOM 937 NZ LYS B 4 1.670 13.271 -4.377 1.00 0.00 N ATOM 0 H LYS B 4 -1.919 18.685 -2.785 1.00 0.00 H new ATOM 0 HA LYS B 4 0.391 18.316 -0.979 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.488 16.639 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.445 17.707 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS B 4 2.451 16.981 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.852 16.819 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.985 14.584 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS B 4 0.428 14.827 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.731 15.341 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS B 4 3.152 14.733 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.330 12.888 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.697 12.681 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 0.706 13.270 -4.768 1.00 0.00 H new ATOM 951 N VAL B 5 1.643 20.303 -1.756 1.00 0.00 N ATOM 952 CA VAL B 5 2.348 21.520 -2.149 1.00 0.00 C ATOM 953 C VAL B 5 3.831 21.436 -1.805 1.00 0.00 C ATOM 954 O VAL B 5 4.199 21.178 -0.658 1.00 0.00 O ATOM 955 CB VAL B 5 1.747 22.766 -1.469 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.334 24.035 -2.066 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.230 22.765 -1.589 1.00 0.00 C ATOM 0 H VAL B 5 1.963 19.894 -0.878 1.00 0.00 H new ATOM 0 HA VAL B 5 2.233 21.612 -3.229 1.00 0.00 H new ATOM 0 HB VAL B 5 2.003 22.736 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL B 5 1.898 24.904 -1.574 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.414 24.040 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.111 24.072 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -0.174 23.653 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -0.052 22.768 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -0.172 21.873 -1.109 1.00 0.00 H new ATOM 967 N ILE B 6 4.679 21.653 -2.805 1.00 0.00 N ATOM 968 CA ILE B 6 6.125 21.601 -2.611 1.00 0.00 C ATOM 969 C ILE B 6 6.699 22.986 -2.314 1.00 0.00 C ATOM 970 O ILE B 6 6.518 23.922 -3.092 1.00 0.00 O ATOM 971 CB ILE B 6 6.836 21.018 -3.847 1.00 0.00 C ATOM 972 CG1 ILE B 6 6.157 19.721 -4.292 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.308 20.774 -3.547 1.00 0.00 C ATOM 974 CD1 ILE B 6 6.664 19.197 -5.618 1.00 0.00 C ATOM 0 H ILE B 6 4.390 21.867 -3.760 1.00 0.00 H new ATOM 0 HA ILE B 6 6.302 20.950 -1.755 1.00 0.00 H new ATOM 0 HB ILE B 6 6.765 21.740 -4.660 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.310 18.960 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.082 19.889 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE B 6 8.796 20.362 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.785 21.716 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.399 20.069 -2.720 1.00 0.00 H new ATOM 0 HD11 ILE B 6 6.138 18.276 -5.870 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.486 19.941 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.733 18.996 -5.545 1.00 0.00 H new ATOM 986 N LEU B 7 7.404 23.104 -1.193 1.00 0.00 N ATOM 987 CA LEU B 7 8.022 24.368 -0.800 1.00 0.00 C ATOM 988 C LEU B 7 9.456 24.130 -0.332 1.00 0.00 C ATOM 989 O LEU B 7 9.681 23.490 0.694 1.00 0.00 O ATOM 990 CB LEU B 7 7.209 25.049 0.310 1.00 0.00 C ATOM 991 CG LEU B 7 6.202 26.099 -0.171 1.00 0.00 C ATOM 992 CD1 LEU B 7 4.841 25.461 -0.403 1.00 0.00 C ATOM 993 CD2 LEU B 7 6.094 27.244 0.832 1.00 0.00 C ATOM 0 H LEU B 7 7.562 22.338 -0.538 1.00 0.00 H new ATOM 0 HA LEU B 7 8.037 25.027 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.672 24.282 0.868 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.901 25.524 1.006 1.00 0.00 H new ATOM 0 HG LEU B 7 6.558 26.508 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.137 26.220 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.929 24.681 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU B 7 4.480 25.024 0.528 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.374 27.978 0.470 1.00 0.00 H new ATOM 0 HD22 LEU B 7 5.763 26.854 1.795 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.068 27.719 0.948 1.00 0.00 H new ATOM 1208 N ASP B 22 9.856 28.705 1.096 1.00 0.00 N ATOM 1209 CA ASP B 22 10.570 28.134 2.234 1.00 0.00 C ATOM 1210 C ASP B 22 9.643 27.329 3.131 1.00 0.00 C ATOM 1211 O ASP B 22 8.479 27.673 3.322 1.00 0.00 O ATOM 1212 CB ASP B 22 11.230 29.250 3.045 1.00 0.00 C ATOM 1213 CG ASP B 22 12.111 28.717 4.157 1.00 0.00 C ATOM 1214 OD1 ASP B 22 12.927 27.812 3.885 1.00 0.00 O ATOM 1215 OD2 ASP B 22 11.984 29.205 5.300 1.00 0.00 O ATOM 0 HA ASP B 22 11.332 27.459 1.845 1.00 0.00 H new ATOM 0 HB2 ASP B 22 11.828 29.873 2.380 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.458 29.889 3.473 1.00 0.00 H new ATOM 1220 N ALA B 23 10.180 26.252 3.679 1.00 0.00 N ATOM 1221 CA ALA B 23 9.428 25.377 4.565 1.00 0.00 C ATOM 1222 C ALA B 23 8.732 26.172 5.671 1.00 0.00 C ATOM 1223 O ALA B 23 7.568 25.926 5.990 1.00 0.00 O ATOM 1224 CB ALA B 23 10.372 24.341 5.143 1.00 0.00 C ATOM 0 H ALA B 23 11.145 25.960 3.524 1.00 0.00 H new ATOM 0 HA ALA B 23 8.644 24.875 3.998 1.00 0.00 H new ATOM 0 HB1 ALA B 23 9.821 23.678 5.810 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.812 23.758 4.334 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.163 24.841 5.702 1.00 0.00 H new ATOM 1230 N ALA B 24 9.452 27.133 6.244 1.00 0.00 N ATOM 1231 CA ALA B 24 8.910 27.977 7.303 1.00 0.00 C ATOM 1232 C ALA B 24 7.803 28.886 6.774 1.00 0.00 C ATOM 1233 O ALA B 24 6.885 29.256 7.506 1.00 0.00 O ATOM 1234 CB ALA B 24 10.018 28.805 7.936 1.00 0.00 C ATOM 0 H ALA B 24 10.417 27.347 5.990 1.00 0.00 H new ATOM 0 HA ALA B 24 8.476 27.327 8.063 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.600 29.430 8.725 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.771 28.141 8.360 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.478 29.438 7.177 1.00 0.00 H new ATOM 1240 N THR B 25 7.898 29.246 5.495 1.00 0.00 N ATOM 1241 CA THR B 25 6.906 30.113 4.865 1.00 0.00 C ATOM 1242 C THR B 25 5.534 29.448 4.877 1.00 0.00 C ATOM 1243 O THR B 25 4.516 30.097 5.116 1.00 0.00 O ATOM 1244 CB THR B 25 7.328 30.434 3.425 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.555 31.140 3.409 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.319 31.260 2.657 1.00 0.00 C ATOM 0 H THR B 25 8.652 28.950 4.875 1.00 0.00 H new ATOM 0 HA THR B 25 6.844 31.043 5.431 1.00 0.00 H new ATOM 0 HB THR B 25 7.415 29.463 2.937 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.809 31.334 2.483 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.691 31.444 1.649 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.374 30.720 2.602 1.00 0.00 H new ATOM 0 HG23 THR B 25 6.165 32.211 3.166 1.00 0.00 H new ATOM 1254 N PHE B 26 5.522 28.144 4.636 1.00 0.00 N ATOM 1255 CA PHE B 26 4.282 27.382 4.636 1.00 0.00 C ATOM 1256 C PHE B 26 3.693 27.305 6.042 1.00 0.00 C ATOM 1257 O PHE B 26 2.512 27.581 6.250 1.00 0.00 O ATOM 1258 CB PHE B 26 4.515 25.973 4.090 1.00 0.00 C ATOM 1259 CG PHE B 26 3.258 25.308 3.606 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.635 25.740 2.446 1.00 0.00 C ATOM 1261 CD2 PHE B 26 2.698 24.255 4.311 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.477 25.135 1.998 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.538 23.646 3.867 1.00 0.00 C ATOM 1264 CZ PHE B 26 0.928 24.087 2.709 1.00 0.00 C ATOM 0 H PHE B 26 6.357 27.593 4.438 1.00 0.00 H new ATOM 0 HA PHE B 26 3.572 27.897 3.989 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.231 26.023 3.269 1.00 0.00 H new ATOM 0 HB3 PHE B 26 4.966 25.359 4.869 1.00 0.00 H new ATOM 0 HD1 PHE B 26 3.060 26.560 1.886 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.172 23.906 5.217 1.00 0.00 H new ATOM 0 HE1 PHE B 26 1.002 25.482 1.092 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.110 22.827 4.425 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.023 23.612 2.360 1.00 0.00 H new ATOM 1274 N GLU B 27 4.526 26.914 7.002 1.00 0.00 N ATOM 1275 CA GLU B 27 4.098 26.776 8.392 1.00 0.00 C ATOM 1276 C GLU B 27 3.442 28.049 8.927 1.00 0.00 C ATOM 1277 O GLU B 27 2.332 28.008 9.456 1.00 0.00 O ATOM 1278 CB GLU B 27 5.293 26.405 9.273 1.00 0.00 C ATOM 1279 CG GLU B 27 5.869 25.031 8.971 1.00 0.00 C ATOM 1280 CD GLU B 27 7.046 24.683 9.861 1.00 0.00 C ATOM 1281 OE1 GLU B 27 7.087 25.174 11.009 1.00 0.00 O ATOM 1282 OE2 GLU B 27 7.926 23.920 9.410 1.00 0.00 O ATOM 0 H GLU B 27 5.507 26.686 6.842 1.00 0.00 H new ATOM 0 HA GLU B 27 3.351 25.983 8.422 1.00 0.00 H new ATOM 0 HB2 GLU B 27 6.075 27.154 9.144 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.987 26.440 10.319 1.00 0.00 H new ATOM 0 HG2 GLU B 27 5.090 24.279 9.095 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.184 24.994 7.928 1.00 0.00 H new ATOM 1289 N LYS B 28 4.147 29.170 8.821 1.00 0.00 N ATOM 1290 CA LYS B 28 3.642 30.441 9.332 1.00 0.00 C ATOM 1291 C LYS B 28 2.408 30.927 8.574 1.00 0.00 C ATOM 1292 O LYS B 28 1.399 31.279 9.186 1.00 0.00 O ATOM 1293 CB LYS B 28 4.738 31.506 9.264 1.00 0.00 C ATOM 1294 CG LYS B 28 4.355 32.817 9.934 1.00 0.00 C ATOM 1295 CD LYS B 28 5.582 33.648 10.277 1.00 0.00 C ATOM 1296 CE LYS B 28 6.246 33.159 11.553 1.00 0.00 C ATOM 1297 NZ LYS B 28 5.594 33.721 12.769 1.00 0.00 N ATOM 0 H LYS B 28 5.068 29.226 8.387 1.00 0.00 H new ATOM 0 HA LYS B 28 3.346 30.274 10.368 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.641 31.117 9.735 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.981 31.699 8.219 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.702 33.387 9.273 1.00 0.00 H new ATOM 0 HG3 LYS B 28 3.789 32.611 10.842 1.00 0.00 H new ATOM 0 HD2 LYS B 28 6.295 33.603 9.454 1.00 0.00 H new ATOM 0 HD3 LYS B 28 5.294 34.693 10.393 1.00 0.00 H new ATOM 0 HE2 LYS B 28 6.205 32.070 11.589 1.00 0.00 H new ATOM 0 HE3 LYS B 28 7.300 33.438 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 6.076 33.363 13.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 5.655 34.759 12.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 4.595 33.434 12.791 1.00 0.00 H new ATOM 1311 N VAL B 29 2.483 30.956 7.247 1.00 0.00 N ATOM 1312 CA VAL B 29 1.359 31.413 6.432 1.00 0.00 C ATOM 1313 C VAL B 29 0.130 30.522 6.593 1.00 0.00 C ATOM 1314 O VAL B 29 -0.992 31.017 6.680 1.00 0.00 O ATOM 1315 CB VAL B 29 1.736 31.479 4.937 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.571 32.003 4.102 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.972 32.342 4.739 1.00 0.00 C ATOM 0 H VAL B 29 3.305 30.671 6.714 1.00 0.00 H new ATOM 0 HA VAL B 29 1.115 32.413 6.790 1.00 0.00 H new ATOM 0 HB VAL B 29 1.963 30.468 4.598 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.863 32.040 3.053 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.286 31.340 4.217 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.303 33.004 4.439 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.225 32.378 3.679 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.773 33.351 5.099 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.806 31.916 5.296 1.00 0.00 H new ATOM 1327 N VAL B 30 0.342 29.211 6.619 1.00 0.00 N ATOM 1328 CA VAL B 30 -0.765 28.271 6.748 1.00 0.00 C ATOM 1329 C VAL B 30 -1.384 28.309 8.140 1.00 0.00 C ATOM 1330 O VAL B 30 -2.607 28.357 8.273 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.337 26.826 6.397 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.507 25.857 6.524 1.00 0.00 C ATOM 1333 CG2 VAL B 30 0.240 26.774 4.991 1.00 0.00 C ATOM 0 H VAL B 30 1.263 28.777 6.553 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.521 28.588 6.030 1.00 0.00 H new ATOM 0 HB VAL B 30 0.431 26.521 7.107 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.175 24.850 6.271 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -1.880 25.869 7.548 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.304 26.158 5.844 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.537 25.752 4.757 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.513 27.106 4.276 1.00 0.00 H new ATOM 0 HG23 VAL B 30 1.110 27.427 4.930 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.556 28.302 9.179 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.067 28.348 10.541 1.00 0.00 C ATOM 1345 C LYS B 31 -1.812 29.654 10.786 1.00 0.00 C ATOM 1346 O LYS B 31 -2.911 29.662 11.337 1.00 0.00 O ATOM 1347 CB LYS B 31 0.086 28.207 11.538 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.364 27.942 12.965 1.00 0.00 C ATOM 1349 CD LYS B 31 0.816 27.940 13.923 1.00 0.00 C ATOM 1350 CE LYS B 31 0.358 27.862 15.370 1.00 0.00 C ATOM 1351 NZ LYS B 31 1.487 27.572 16.295 1.00 0.00 N ATOM 0 H LYS B 31 0.461 28.265 9.105 1.00 0.00 H new ATOM 0 HA LYS B 31 -1.762 27.520 10.681 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.735 27.393 11.215 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.684 29.118 11.519 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.082 28.704 13.270 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.878 26.982 13.015 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.466 27.094 13.700 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.407 28.844 13.776 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -0.111 28.804 15.654 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.401 27.086 15.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.133 27.527 17.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.919 26.661 16.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.200 28.326 16.220 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.207 30.755 10.363 1.00 0.00 N ATOM 1366 CA GLN B 32 -1.811 32.069 10.526 1.00 0.00 C ATOM 1367 C GLN B 32 -3.125 32.172 9.757 1.00 0.00 C ATOM 1368 O GLN B 32 -4.130 32.636 10.295 1.00 0.00 O ATOM 1369 CB GLN B 32 -0.846 33.159 10.062 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.324 34.568 10.377 1.00 0.00 C ATOM 1371 CD GLN B 32 -0.179 35.550 10.532 1.00 0.00 C ATOM 1372 OE1 GLN B 32 -0.095 36.542 9.809 1.00 0.00 O ATOM 1373 NE2 GLN B 32 0.711 35.277 11.480 1.00 0.00 N ATOM 0 H GLN B 32 -0.296 30.764 9.903 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.025 32.210 11.586 1.00 0.00 H new ATOM 0 HB2 GLN B 32 0.124 32.999 10.533 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -0.697 33.067 8.986 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -1.986 34.910 9.581 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -1.911 34.552 11.295 1.00 0.00 H new ATOM 0 HE21 GLN B 32 0.602 34.443 12.057 1.00 0.00 H new ATOM 0 HE22 GLN B 32 1.503 35.902 11.631 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.118 31.731 8.501 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.313 31.767 7.664 1.00 0.00 C ATOM 1384 C PHE B 33 -5.399 30.813 8.163 1.00 0.00 C ATOM 1385 O PHE B 33 -6.571 31.185 8.243 1.00 0.00 O ATOM 1386 CB PHE B 33 -3.911 31.489 6.200 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.006 30.963 5.312 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.186 31.662 5.120 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -4.828 29.760 4.647 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.175 31.160 4.290 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.808 29.256 3.817 1.00 0.00 C ATOM 1392 CZ PHE B 33 -6.984 29.952 3.639 1.00 0.00 C ATOM 0 H PHE B 33 -2.295 31.343 8.040 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.756 32.761 7.722 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.528 32.413 5.766 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.090 30.772 6.198 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.336 32.607 5.622 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -3.909 29.209 4.781 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.094 31.710 4.151 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.654 28.317 3.307 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.755 29.557 2.994 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.015 29.585 8.493 1.00 0.00 N ATOM 1403 CA PHE B 34 -5.976 28.596 8.975 1.00 0.00 C ATOM 1404 C PHE B 34 -6.420 28.849 10.417 1.00 0.00 C ATOM 1405 O PHE B 34 -7.577 28.608 10.758 1.00 0.00 O ATOM 1406 CB PHE B 34 -5.435 27.180 8.784 1.00 0.00 C ATOM 1407 CG PHE B 34 -5.638 26.695 7.376 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -4.774 27.079 6.363 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -6.719 25.888 7.060 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -4.987 26.669 5.061 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -6.932 25.469 5.760 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.067 25.863 4.760 1.00 0.00 C ATOM 0 H PHE B 34 -4.053 29.251 8.437 1.00 0.00 H new ATOM 0 HA PHE B 34 -6.875 28.701 8.368 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -4.373 27.160 9.027 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -5.933 26.503 9.478 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.925 27.705 6.594 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -7.403 25.583 7.838 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -4.309 26.979 4.279 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.774 24.834 5.528 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.234 25.541 3.743 1.00 0.00 H new ATOM 1422 N ASN B 35 -5.519 29.349 11.259 1.00 0.00 N ATOM 1423 CA ASN B 35 -5.871 29.641 12.652 1.00 0.00 C ATOM 1424 C ASN B 35 -7.078 30.581 12.725 1.00 0.00 C ATOM 1425 O ASN B 35 -7.884 30.508 13.652 1.00 0.00 O ATOM 1426 CB ASN B 35 -4.679 30.246 13.406 1.00 0.00 C ATOM 1427 CG ASN B 35 -3.692 29.208 13.927 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -3.571 28.071 13.245 1.00 0.00 O flip ATOM 1429 ND2 ASN B 35 -3.043 29.427 14.949 1.00 0.00 N flip ATOM 0 H ASN B 35 -4.553 29.559 11.009 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.137 28.699 13.131 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.153 30.934 12.744 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.052 30.833 14.245 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.160 30.309 15.448 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -2.388 28.727 15.297 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.194 31.453 11.730 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.295 32.410 11.645 1.00 0.00 C ATOM 1438 C ASP B 36 -9.656 31.712 11.525 1.00 0.00 C ATOM 1439 O ASP B 36 -10.696 32.330 11.755 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.085 33.351 10.459 1.00 0.00 C ATOM 1441 CG ASP B 36 -6.795 34.142 10.569 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -6.330 34.365 11.708 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -6.249 34.538 9.518 1.00 0.00 O ATOM 0 H ASP B 36 -6.529 31.518 10.959 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.299 32.985 12.571 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.075 32.771 9.536 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.926 34.041 10.393 1.00 0.00 H new ATOM 1448 N ASN B 37 -9.649 30.431 11.153 1.00 0.00 N ATOM 1449 CA ASN B 37 -10.894 29.678 10.997 1.00 0.00 C ATOM 1450 C ASN B 37 -11.117 28.696 12.151 1.00 0.00 C ATOM 1451 O ASN B 37 -12.251 28.293 12.415 1.00 0.00 O ATOM 1452 CB ASN B 37 -10.922 28.939 9.655 1.00 0.00 C ATOM 1453 CG ASN B 37 -9.910 27.814 9.579 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -9.922 26.894 10.398 1.00 0.00 O ATOM 1455 ND2 ASN B 37 -9.029 27.880 8.588 1.00 0.00 N ATOM 0 H ASN B 37 -8.803 29.897 10.956 1.00 0.00 H new ATOM 0 HA ASN B 37 -11.710 30.401 11.016 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -11.920 28.534 9.490 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -10.729 29.649 8.851 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.325 27.150 8.482 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -9.056 28.661 7.932 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.043 28.324 12.848 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.178 27.407 13.972 1.00 0.00 C ATOM 1464 C GLY B 38 -9.198 26.242 13.947 1.00 0.00 C ATOM 1465 O GLY B 38 -9.375 25.271 14.684 1.00 0.00 O ATOM 0 H GLY B 38 -9.091 28.637 12.658 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.040 27.963 14.899 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.194 27.013 13.985 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.162 26.325 13.116 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.169 25.258 13.035 1.00 0.00 C ATOM 1471 C VAL B 39 -6.049 25.491 14.044 1.00 0.00 C ATOM 1472 O VAL B 39 -5.656 26.631 14.291 1.00 0.00 O ATOM 1473 CB VAL B 39 -6.565 25.146 11.622 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -5.647 23.935 11.520 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -7.669 25.076 10.577 1.00 0.00 C ATOM 0 H VAL B 39 -7.989 27.114 12.493 1.00 0.00 H new ATOM 0 HA VAL B 39 -7.682 24.325 13.265 1.00 0.00 H new ATOM 0 HB VAL B 39 -5.968 26.038 11.432 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.232 23.877 10.514 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -4.836 24.032 12.242 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.215 23.029 11.732 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.226 24.997 9.584 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.294 24.203 10.766 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.279 25.978 10.631 1.00 0.00 H new ATOM 1485 N ASP B 40 -5.543 24.411 14.630 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.474 24.513 15.617 1.00 0.00 C ATOM 1487 C ASP B 40 -3.673 23.216 15.695 1.00 0.00 C ATOM 1488 O ASP B 40 -3.970 22.247 14.997 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.054 24.848 16.993 1.00 0.00 C ATOM 1490 CG ASP B 40 -5.542 26.280 17.083 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -4.732 27.161 17.441 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -6.733 26.521 16.796 1.00 0.00 O ATOM 0 H ASP B 40 -5.854 23.459 14.440 1.00 0.00 H new ATOM 0 HA ASP B 40 -3.803 25.313 15.305 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -5.881 24.171 17.210 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.294 24.678 17.756 1.00 0.00 H new ATOM 1497 N GLY B 41 -2.656 23.210 16.551 1.00 0.00 N ATOM 1498 CA GLY B 41 -1.821 22.032 16.711 1.00 0.00 C ATOM 1499 C GLY B 41 -0.367 22.305 16.381 1.00 0.00 C ATOM 1500 O GLY B 41 0.140 23.396 16.644 1.00 0.00 O ATOM 0 H GLY B 41 -2.394 24.002 17.138 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -1.897 21.673 17.737 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.194 21.236 16.067 1.00 0.00 H new ATOM 1504 N GLU B 42 0.306 21.315 15.803 1.00 0.00 N ATOM 1505 CA GLU B 42 1.711 21.460 15.437 1.00 0.00 C ATOM 1506 C GLU B 42 2.042 20.626 14.204 1.00 0.00 C ATOM 1507 O GLU B 42 1.362 19.643 13.905 1.00 0.00 O ATOM 1508 CB GLU B 42 2.609 21.045 16.605 1.00 0.00 C ATOM 1509 CG GLU B 42 2.550 22.000 17.785 1.00 0.00 C ATOM 1510 CD GLU B 42 3.548 21.646 18.870 1.00 0.00 C ATOM 1511 OE1 GLU B 42 4.596 21.051 18.542 1.00 0.00 O ATOM 1512 OE2 GLU B 42 3.282 21.964 20.048 1.00 0.00 O ATOM 0 H GLU B 42 -0.098 20.406 15.578 1.00 0.00 H new ATOM 0 HA GLU B 42 1.893 22.509 15.202 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.319 20.049 16.939 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.639 20.977 16.254 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.742 23.015 17.437 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.544 21.992 18.205 1.00 0.00 H new ATOM 1519 N TRP B 43 3.091 21.024 13.491 1.00 0.00 N ATOM 1520 CA TRP B 43 3.517 20.317 12.290 1.00 0.00 C ATOM 1521 C TRP B 43 4.193 19.001 12.637 1.00 0.00 C ATOM 1522 O TRP B 43 5.231 18.973 13.299 1.00 0.00 O ATOM 1523 CB TRP B 43 4.454 21.192 11.459 1.00 0.00 C ATOM 1524 CG TRP B 43 3.755 22.340 10.795 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.678 23.626 11.249 1.00 0.00 C ATOM 1526 CD2 TRP B 43 3.030 22.306 9.560 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.951 24.393 10.372 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.542 23.606 9.327 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.746 21.302 8.629 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.788 23.927 8.202 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 1.997 21.623 7.512 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.526 22.926 7.307 1.00 0.00 C ATOM 0 H TRP B 43 3.663 21.835 13.726 1.00 0.00 H new ATOM 0 HA TRP B 43 2.628 20.094 11.700 1.00 0.00 H new ATOM 0 HB2 TRP B 43 5.245 21.579 12.102 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.934 20.578 10.697 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.124 23.987 12.164 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.748 25.387 10.481 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.105 20.295 8.780 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.423 24.931 8.041 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.771 20.856 6.786 1.00 0.00 H new ATOM 0 HH2 TRP B 43 0.944 23.145 6.424 1.00 0.00 H new ATOM 1543 N THR B 44 3.593 17.912 12.176 1.00 0.00 N ATOM 1544 CA THR B 44 4.124 16.583 12.422 1.00 0.00 C ATOM 1545 C THR B 44 4.647 15.973 11.130 1.00 0.00 C ATOM 1546 O THR B 44 4.048 16.127 10.066 1.00 0.00 O ATOM 1547 CB THR B 44 3.049 15.681 13.027 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.971 15.514 12.126 1.00 0.00 O ATOM 1549 CG2 THR B 44 2.486 16.212 14.327 1.00 0.00 C ATOM 0 H THR B 44 2.734 17.926 11.627 1.00 0.00 H new ATOM 0 HA THR B 44 4.948 16.669 13.130 1.00 0.00 H new ATOM 0 HB THR B 44 3.546 14.732 13.227 1.00 0.00 H new ATOM 0 HG1 THR B 44 2.067 16.144 11.381 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.728 15.525 14.703 1.00 0.00 H new ATOM 0 HG22 THR B 44 3.288 16.305 15.060 1.00 0.00 H new ATOM 0 HG23 THR B 44 2.036 17.190 14.156 1.00 0.00 H new ATOM 1557 N TYR B 45 5.760 15.267 11.241 1.00 0.00 N ATOM 1558 CA TYR B 45 6.371 14.614 10.090 1.00 0.00 C ATOM 1559 C TYR B 45 5.518 13.442 9.614 1.00 0.00 C ATOM 1560 O TYR B 45 4.906 12.739 10.418 1.00 0.00 O ATOM 1561 CB TYR B 45 7.780 14.133 10.433 1.00 0.00 C ATOM 1562 CG TYR B 45 8.824 15.224 10.364 1.00 0.00 C ATOM 1563 CD1 TYR B 45 9.377 15.602 9.148 1.00 0.00 C ATOM 1564 CD2 TYR B 45 9.254 15.876 11.513 1.00 0.00 C ATOM 1565 CE1 TYR B 45 10.330 16.599 9.076 1.00 0.00 C ATOM 1566 CE2 TYR B 45 10.208 16.876 11.449 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.743 17.232 10.230 1.00 0.00 C ATOM 1568 OH TYR B 45 11.693 18.226 10.163 1.00 0.00 O ATOM 0 H TYR B 45 6.262 15.130 12.118 1.00 0.00 H new ATOM 0 HA TYR B 45 6.435 15.344 9.283 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.776 13.708 11.437 1.00 0.00 H new ATOM 0 HB3 TYR B 45 8.058 13.331 9.749 1.00 0.00 H new ATOM 0 HD1 TYR B 45 9.056 15.108 8.243 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.838 15.598 12.470 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.749 16.881 8.122 1.00 0.00 H new ATOM 0 HE2 TYR B 45 10.532 17.375 12.350 1.00 0.00 H new ATOM 0 HH TYR B 45 11.871 18.569 11.063 1.00 0.00 H new ATOM 1578 N ASP B 46 5.481 13.239 8.301 1.00 0.00 N ATOM 1579 CA ASP B 46 4.701 12.154 7.715 1.00 0.00 C ATOM 1580 C ASP B 46 5.356 10.804 7.985 1.00 0.00 C ATOM 1581 O ASP B 46 6.552 10.727 8.266 1.00 0.00 O ATOM 1582 CB ASP B 46 4.564 12.356 6.205 1.00 0.00 C ATOM 1583 CG ASP B 46 3.503 13.376 5.846 1.00 0.00 C ATOM 1584 OD1 ASP B 46 3.693 14.568 6.167 1.00 0.00 O ATOM 1585 OD2 ASP B 46 2.484 12.983 5.241 1.00 0.00 O ATOM 0 H ASP B 46 5.982 13.812 7.622 1.00 0.00 H new ATOM 0 HA ASP B 46 3.713 12.165 8.176 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.523 12.676 5.797 1.00 0.00 H new ATOM 0 HB3 ASP B 46 4.320 11.403 5.736 1.00 0.00 H new ATOM 1590 N ASP B 47 4.564 9.740 7.894 1.00 0.00 N ATOM 1591 CA ASP B 47 5.070 8.392 8.125 1.00 0.00 C ATOM 1592 C ASP B 47 6.071 8.005 7.039 1.00 0.00 C ATOM 1593 O ASP B 47 5.795 8.146 5.848 1.00 0.00 O ATOM 1594 CB ASP B 47 3.916 7.387 8.155 1.00 0.00 C ATOM 1595 CG ASP B 47 4.317 6.065 8.779 1.00 0.00 C ATOM 1596 OD1 ASP B 47 4.221 5.940 10.018 1.00 0.00 O ATOM 1597 OD2 ASP B 47 4.728 5.155 8.029 1.00 0.00 O ATOM 0 H ASP B 47 3.572 9.785 7.662 1.00 0.00 H new ATOM 0 HA ASP B 47 5.576 8.376 9.090 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.082 7.812 8.714 1.00 0.00 H new ATOM 0 HB3 ASP B 47 3.562 7.214 7.139 1.00 0.00 H new ATOM 1602 N ALA B 48 7.241 7.530 7.460 1.00 0.00 N ATOM 1603 CA ALA B 48 8.293 7.137 6.528 1.00 0.00 C ATOM 1604 C ALA B 48 7.802 6.101 5.521 1.00 0.00 C ATOM 1605 O ALA B 48 7.022 5.209 5.855 1.00 0.00 O ATOM 1606 CB ALA B 48 9.494 6.601 7.292 1.00 0.00 C ATOM 0 H ALA B 48 7.484 7.408 8.443 1.00 0.00 H new ATOM 0 HA ALA B 48 8.588 8.024 5.968 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.273 6.311 6.587 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.877 7.375 7.958 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.194 5.733 7.879 1.00 0.00 H new ATOM 1612 N THR B 49 8.275 6.229 4.285 1.00 0.00 N ATOM 1613 CA THR B 49 7.899 5.312 3.213 1.00 0.00 C ATOM 1614 C THR B 49 9.124 4.919 2.391 1.00 0.00 C ATOM 1615 O THR B 49 10.123 5.638 2.370 1.00 0.00 O ATOM 1616 CB THR B 49 6.842 5.950 2.310 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.844 6.591 3.084 1.00 0.00 O ATOM 1618 CG2 THR B 49 6.151 4.957 1.402 1.00 0.00 C ATOM 0 H THR B 49 8.923 6.963 4.000 1.00 0.00 H new ATOM 0 HA THR B 49 7.478 4.413 3.663 1.00 0.00 H new ATOM 0 HB THR B 49 7.384 6.666 1.692 1.00 0.00 H new ATOM 0 HG1 THR B 49 5.178 6.994 2.489 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.414 5.476 0.789 1.00 0.00 H new ATOM 0 HG22 THR B 49 6.888 4.480 0.757 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.652 4.199 2.005 1.00 0.00 H new ATOM 1626 N LYS B 50 9.048 3.771 1.722 1.00 0.00 N ATOM 1627 CA LYS B 50 10.163 3.289 0.911 1.00 0.00 C ATOM 1628 C LYS B 50 9.731 3.027 -0.530 1.00 0.00 C ATOM 1629 O LYS B 50 8.857 2.200 -0.789 1.00 0.00 O ATOM 1630 CB LYS B 50 10.743 2.011 1.518 1.00 0.00 C ATOM 1631 CG LYS B 50 11.667 2.262 2.698 1.00 0.00 C ATOM 1632 CD LYS B 50 11.832 1.014 3.551 1.00 0.00 C ATOM 1633 CE LYS B 50 12.243 1.360 4.973 1.00 0.00 C ATOM 1634 NZ LYS B 50 12.196 0.173 5.869 1.00 0.00 N ATOM 0 H LYS B 50 8.231 3.160 1.725 1.00 0.00 H new ATOM 0 HA LYS B 50 10.928 4.066 0.901 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.924 1.367 1.839 1.00 0.00 H new ATOM 0 HB3 LYS B 50 11.291 1.469 0.747 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.642 2.588 2.335 1.00 0.00 H new ATOM 0 HG3 LYS B 50 11.267 3.071 3.309 1.00 0.00 H new ATOM 0 HD2 LYS B 50 10.895 0.457 3.567 1.00 0.00 H new ATOM 0 HD3 LYS B 50 12.582 0.363 3.103 1.00 0.00 H new ATOM 0 HE2 LYS B 50 13.252 1.772 4.969 1.00 0.00 H new ATOM 0 HE3 LYS B 50 11.584 2.135 5.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 11.420 0.285 6.553 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 12.037 -0.684 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 13.098 0.087 6.380 1.00 0.00 H new ATOM 1648 N THR B 51 10.361 3.737 -1.462 1.00 0.00 N ATOM 1649 CA THR B 51 10.062 3.588 -2.882 1.00 0.00 C ATOM 1650 C THR B 51 11.190 2.836 -3.588 1.00 0.00 C ATOM 1651 O THR B 51 12.366 3.152 -3.409 1.00 0.00 O ATOM 1652 CB THR B 51 9.847 4.969 -3.519 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.677 5.576 -3.001 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.707 4.937 -5.029 1.00 0.00 C ATOM 0 H THR B 51 11.086 4.425 -1.257 1.00 0.00 H new ATOM 0 HA THR B 51 9.146 3.007 -2.992 1.00 0.00 H new ATOM 0 HB THR B 51 10.744 5.536 -3.271 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.701 6.539 -3.180 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.558 5.950 -5.402 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.611 4.517 -5.469 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.851 4.320 -5.302 1.00 0.00 H new ATOM 1662 N PHE B 52 10.825 1.836 -4.387 1.00 0.00 N ATOM 1663 CA PHE B 52 11.807 1.040 -5.118 1.00 0.00 C ATOM 1664 C PHE B 52 12.272 1.758 -6.380 1.00 0.00 C ATOM 1665 O PHE B 52 11.479 2.011 -7.288 1.00 0.00 O ATOM 1666 CB PHE B 52 11.221 -0.326 -5.484 1.00 0.00 C ATOM 1667 CG PHE B 52 12.219 -1.256 -6.114 1.00 0.00 C ATOM 1668 CD1 PHE B 52 13.070 -2.017 -5.327 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.307 -1.369 -7.492 1.00 0.00 C ATOM 1670 CE1 PHE B 52 13.989 -2.873 -5.904 1.00 0.00 C ATOM 1671 CE2 PHE B 52 13.224 -2.224 -8.074 1.00 0.00 C ATOM 1672 CZ PHE B 52 14.066 -2.976 -7.279 1.00 0.00 C ATOM 0 H PHE B 52 9.856 1.558 -4.544 1.00 0.00 H new ATOM 0 HA PHE B 52 12.670 0.898 -4.467 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.818 -0.793 -4.585 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.386 -0.183 -6.170 1.00 0.00 H new ATOM 0 HD1 PHE B 52 13.014 -1.940 -4.251 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.652 -0.782 -8.119 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.646 -3.461 -5.280 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.282 -2.304 -9.149 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.784 -3.644 -7.732 1.00 0.00 H new ATOM 1682 N THR B 53 13.561 2.076 -6.441 1.00 0.00 N ATOM 1683 CA THR B 53 14.124 2.753 -7.604 1.00 0.00 C ATOM 1684 C THR B 53 14.648 1.735 -8.612 1.00 0.00 C ATOM 1685 O THR B 53 15.476 0.888 -8.278 1.00 0.00 O ATOM 1686 CB THR B 53 15.250 3.701 -7.181 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.773 4.664 -6.258 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.873 4.451 -8.340 1.00 0.00 C ATOM 0 H THR B 53 14.234 1.876 -5.701 1.00 0.00 H new ATOM 0 HA THR B 53 13.334 3.338 -8.075 1.00 0.00 H new ATOM 0 HB THR B 53 16.010 3.061 -6.732 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.413 4.210 -5.468 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.663 5.104 -7.968 1.00 0.00 H new ATOM 0 HG22 THR B 53 16.295 3.739 -9.050 1.00 0.00 H new ATOM 0 HG23 THR B 53 15.111 5.051 -8.837 1.00 0.00 H new ATOM 1696 N VAL B 54 14.155 1.818 -9.845 1.00 0.00 N ATOM 1697 CA VAL B 54 14.575 0.896 -10.894 1.00 0.00 C ATOM 1698 C VAL B 54 16.000 1.190 -11.346 1.00 0.00 C ATOM 1699 O VAL B 54 16.498 2.304 -11.186 1.00 0.00 O ATOM 1700 CB VAL B 54 13.645 0.957 -12.122 1.00 0.00 C ATOM 1701 CG1 VAL B 54 13.909 -0.219 -13.048 1.00 0.00 C ATOM 1702 CG2 VAL B 54 12.184 0.989 -11.697 1.00 0.00 C ATOM 0 H VAL B 54 13.468 2.511 -10.140 1.00 0.00 H new ATOM 0 HA VAL B 54 14.524 -0.103 -10.462 1.00 0.00 H new ATOM 0 HB VAL B 54 13.858 1.878 -12.664 1.00 0.00 H new ATOM 0 HG11 VAL B 54 13.244 -0.160 -13.910 1.00 0.00 H new ATOM 0 HG12 VAL B 54 14.945 -0.190 -13.387 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.728 -1.151 -12.513 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.549 1.032 -12.582 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.951 0.090 -11.126 1.00 0.00 H new ATOM 0 HG23 VAL B 54 12.004 1.868 -11.078 1.00 0.00 H new ATOM 1712 N THR B 55 16.649 0.181 -11.915 1.00 0.00 N ATOM 1713 CA THR B 55 18.018 0.326 -12.396 1.00 0.00 C ATOM 1714 C THR B 55 18.276 -0.600 -13.578 1.00 0.00 C ATOM 1715 O THR B 55 18.438 -0.149 -14.713 1.00 0.00 O ATOM 1716 CB THR B 55 19.010 0.031 -11.269 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.769 0.875 -10.158 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.455 0.214 -11.679 1.00 0.00 C ATOM 0 H THR B 55 16.249 -0.747 -12.055 1.00 0.00 H new ATOM 0 HA THR B 55 18.156 1.355 -12.728 1.00 0.00 H new ATOM 0 HB THR B 55 18.853 -1.017 -11.012 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.502 0.786 -9.514 1.00 0.00 H new ATOM 0 HG21 THR B 55 21.105 -0.011 -10.833 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.687 -0.459 -12.504 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.616 1.245 -11.995 1.00 0.00 H new ATOM 1726 N GLU B 56 18.310 -1.895 -13.301 1.00 0.00 N ATOM 1727 CA GLU B 56 18.545 -2.898 -14.335 1.00 0.00 C ATOM 1728 C GLU B 56 19.891 -2.674 -15.018 1.00 0.00 C ATOM 1729 O GLU B 56 20.875 -3.329 -14.613 1.00 0.00 O ATOM 1730 CB GLU B 56 17.421 -2.863 -15.373 1.00 0.00 C ATOM 1731 CG GLU B 56 16.031 -2.953 -14.765 1.00 0.00 C ATOM 1732 CD GLU B 56 14.932 -2.811 -15.799 1.00 0.00 C ATOM 1733 OE1 GLU B 56 15.003 -3.498 -16.840 1.00 0.00 O ATOM 1734 OE2 GLU B 56 14.000 -2.013 -15.570 1.00 0.00 O ATOM 1735 OXT GLU B 56 19.950 -1.849 -15.954 1.00 0.00 O ATOM 0 H GLU B 56 18.177 -2.279 -12.366 1.00 0.00 H new ATOM 0 HA GLU B 56 18.560 -3.878 -13.858 1.00 0.00 H new ATOM 0 HB2 GLU B 56 17.498 -1.941 -15.949 1.00 0.00 H new ATOM 0 HB3 GLU B 56 17.557 -3.688 -16.072 1.00 0.00 H new ATOM 0 HG2 GLU B 56 15.923 -3.910 -14.255 1.00 0.00 H new ATOM 0 HG3 GLU B 56 15.917 -2.175 -14.010 1.00 0.00 H new ATOM 1743 N MET C 1 5.440 -0.380 8.155 1.00 0.00 N ATOM 1744 CA MET C 1 6.115 0.464 7.134 1.00 0.00 C ATOM 1745 C MET C 1 5.304 0.522 5.844 1.00 0.00 C ATOM 1746 O MET C 1 4.788 -0.494 5.380 1.00 0.00 O ATOM 1747 CB MET C 1 7.503 -0.118 6.861 1.00 0.00 C ATOM 1748 CG MET C 1 8.549 0.300 7.882 1.00 0.00 C ATOM 1749 SD MET C 1 9.514 1.725 7.345 1.00 0.00 S ATOM 1750 CE MET C 1 8.217 2.801 6.737 1.00 0.00 C ATOM 0 H1 MET C 1 5.663 -0.021 9.105 1.00 0.00 H new ATOM 0 H2 MET C 1 4.411 -0.349 8.006 1.00 0.00 H new ATOM 0 H3 MET C 1 5.773 -1.362 8.069 1.00 0.00 H new ATOM 0 HA MET C 1 6.203 1.483 7.512 1.00 0.00 H new ATOM 0 HB2 MET C 1 7.435 -1.206 6.847 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.830 0.194 5.869 1.00 0.00 H new ATOM 0 HG2 MET C 1 8.056 0.535 8.826 1.00 0.00 H new ATOM 0 HG3 MET C 1 9.220 -0.537 8.072 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.640 3.774 6.485 1.00 0.00 H new ATOM 0 HE2 MET C 1 7.765 2.360 5.849 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.456 2.925 7.508 1.00 0.00 H new ATOM 1762 N GLN C 2 5.203 1.715 5.268 1.00 0.00 N ATOM 1763 CA GLN C 2 4.456 1.905 4.030 1.00 0.00 C ATOM 1764 C GLN C 2 5.346 1.643 2.820 1.00 0.00 C ATOM 1765 O GLN C 2 6.398 2.263 2.665 1.00 0.00 O ATOM 1766 CB GLN C 2 3.890 3.325 3.965 1.00 0.00 C ATOM 1767 CG GLN C 2 2.882 3.529 2.847 1.00 0.00 C ATOM 1768 CD GLN C 2 1.922 4.670 3.128 1.00 0.00 C ATOM 1769 OE1 GLN C 2 0.848 4.376 3.850 1.00 0.00 O flip ATOM 1770 NE2 GLN C 2 2.147 5.803 2.702 1.00 0.00 N flip ATOM 0 H GLN C 2 5.629 2.565 5.638 1.00 0.00 H new ATOM 0 HA GLN C 2 3.631 1.193 4.015 1.00 0.00 H new ATOM 0 HB2 GLN C 2 3.416 3.562 4.918 1.00 0.00 H new ATOM 0 HB3 GLN C 2 4.712 4.029 3.834 1.00 0.00 H new ATOM 0 HG2 GLN C 2 3.413 3.727 1.916 1.00 0.00 H new ATOM 0 HG3 GLN C 2 2.315 2.609 2.702 1.00 0.00 H new ATOM 0 HE21 GLN C 2 2.986 5.983 2.151 1.00 0.00 H new ATOM 0 HE22 GLN C 2 1.494 6.561 2.900 1.00 0.00 H new ATOM 1779 N TYR C 3 4.922 0.712 1.970 1.00 0.00 N ATOM 1780 CA TYR C 3 5.689 0.359 0.781 1.00 0.00 C ATOM 1781 C TYR C 3 5.021 0.851 -0.499 1.00 0.00 C ATOM 1782 O TYR C 3 3.835 0.615 -0.734 1.00 0.00 O ATOM 1783 CB TYR C 3 5.897 -1.154 0.715 1.00 0.00 C ATOM 1784 CG TYR C 3 7.026 -1.644 1.594 1.00 0.00 C ATOM 1785 CD1 TYR C 3 8.351 -1.419 1.239 1.00 0.00 C ATOM 1786 CD2 TYR C 3 6.770 -2.328 2.775 1.00 0.00 C ATOM 1787 CE1 TYR C 3 9.387 -1.861 2.037 1.00 0.00 C ATOM 1788 CE2 TYR C 3 7.802 -2.773 3.580 1.00 0.00 C ATOM 1789 CZ TYR C 3 9.109 -2.538 3.205 1.00 0.00 C ATOM 1790 OH TYR C 3 10.139 -2.979 4.003 1.00 0.00 O ATOM 0 H TYR C 3 4.053 0.190 2.083 1.00 0.00 H new ATOM 0 HA TYR C 3 6.656 0.856 0.859 1.00 0.00 H new ATOM 0 HB2 TYR C 3 4.974 -1.653 1.010 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.099 -1.441 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR C 3 8.573 -0.890 0.324 1.00 0.00 H new ATOM 0 HD2 TYR C 3 5.748 -2.515 3.069 1.00 0.00 H new ATOM 0 HE1 TYR C 3 10.411 -1.677 1.747 1.00 0.00 H new ATOM 0 HE2 TYR C 3 7.587 -3.301 4.497 1.00 0.00 H new ATOM 0 HH TYR C 3 10.545 -3.776 3.603 1.00 0.00 H new ATOM 1800 N LYS C 4 5.812 1.532 -1.321 1.00 0.00 N ATOM 1801 CA LYS C 4 5.334 2.069 -2.591 1.00 0.00 C ATOM 1802 C LYS C 4 5.874 1.248 -3.758 1.00 0.00 C ATOM 1803 O LYS C 4 7.083 1.050 -3.884 1.00 0.00 O ATOM 1804 CB LYS C 4 5.756 3.533 -2.742 1.00 0.00 C ATOM 1805 CG LYS C 4 4.766 4.373 -3.534 1.00 0.00 C ATOM 1806 CD LYS C 4 4.631 5.773 -2.957 1.00 0.00 C ATOM 1807 CE LYS C 4 5.516 6.768 -3.692 1.00 0.00 C ATOM 1808 NZ LYS C 4 5.632 8.058 -2.956 1.00 0.00 N ATOM 0 H LYS C 4 6.795 1.727 -1.129 1.00 0.00 H new ATOM 0 HA LYS C 4 4.246 2.012 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS C 4 5.880 3.971 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS C 4 6.728 3.573 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS C 4 5.091 4.437 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS C 4 3.792 3.884 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS C 4 3.591 6.094 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS C 4 4.898 5.759 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS C 4 6.508 6.338 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS C 4 5.107 6.952 -4.686 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 5.907 8.812 -3.618 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 4.716 8.294 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 6.354 7.970 -2.213 1.00 0.00 H new ATOM 1822 N VAL C 5 4.970 0.765 -4.607 1.00 0.00 N ATOM 1823 CA VAL C 5 5.362 -0.039 -5.760 1.00 0.00 C ATOM 1824 C VAL C 5 4.497 0.277 -6.976 1.00 0.00 C ATOM 1825 O VAL C 5 3.268 0.213 -6.911 1.00 0.00 O ATOM 1826 CB VAL C 5 5.265 -1.548 -5.457 1.00 0.00 C ATOM 1827 CG1 VAL C 5 5.899 -2.361 -6.576 1.00 0.00 C ATOM 1828 CG2 VAL C 5 5.918 -1.871 -4.121 1.00 0.00 C ATOM 0 H VAL C 5 3.965 0.916 -4.518 1.00 0.00 H new ATOM 0 HA VAL C 5 6.399 0.215 -5.979 1.00 0.00 H new ATOM 0 HB VAL C 5 4.211 -1.817 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL C 5 5.821 -3.423 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.382 -2.155 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL C 5 6.950 -2.088 -6.674 1.00 0.00 H new ATOM 0 HG21 VAL C 5 5.839 -2.941 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL C 5 6.969 -1.585 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.414 -1.319 -3.327 1.00 0.00 H new ATOM 1838 N ILE C 6 5.145 0.622 -8.084 1.00 0.00 N ATOM 1839 CA ILE C 6 4.436 0.951 -9.317 1.00 0.00 C ATOM 1840 C ILE C 6 4.295 -0.271 -10.223 1.00 0.00 C ATOM 1841 O ILE C 6 5.287 -0.902 -10.589 1.00 0.00 O ATOM 1842 CB ILE C 6 5.154 2.072 -10.095 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.487 3.240 -9.164 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.296 2.545 -11.258 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.374 4.287 -9.801 1.00 0.00 C ATOM 0 H ILE C 6 6.161 0.681 -8.154 1.00 0.00 H new ATOM 0 HA ILE C 6 3.444 1.295 -9.025 1.00 0.00 H new ATOM 0 HB ILE C 6 6.086 1.673 -10.495 1.00 0.00 H new ATOM 0 HG12 ILE C 6 4.559 3.711 -8.839 1.00 0.00 H new ATOM 0 HG13 ILE C 6 5.978 2.854 -8.271 1.00 0.00 H new ATOM 0 HG21 ILE C 6 4.817 3.336 -11.797 1.00 0.00 H new ATOM 0 HG22 ILE C 6 4.106 1.711 -11.933 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.348 2.928 -10.879 1.00 0.00 H new ATOM 0 HD11 ILE C 6 6.569 5.084 -9.084 1.00 0.00 H new ATOM 0 HD12 ILE C 6 7.317 3.831 -10.101 1.00 0.00 H new ATOM 0 HD13 ILE C 6 5.876 4.701 -10.678 1.00 0.00 H new ATOM 1857 N LEU C 7 3.058 -0.590 -10.596 1.00 0.00 N ATOM 1858 CA LEU C 7 2.786 -1.725 -11.475 1.00 0.00 C ATOM 1859 C LEU C 7 1.790 -1.321 -12.560 1.00 0.00 C ATOM 1860 O LEU C 7 0.630 -1.031 -12.269 1.00 0.00 O ATOM 1861 CB LEU C 7 2.243 -2.915 -10.673 1.00 0.00 C ATOM 1862 CG LEU C 7 3.292 -3.949 -10.250 1.00 0.00 C ATOM 1863 CD1 LEU C 7 3.838 -3.614 -8.870 1.00 0.00 C ATOM 1864 CD2 LEU C 7 2.703 -5.356 -10.269 1.00 0.00 C ATOM 0 H LEU C 7 2.226 -0.077 -10.303 1.00 0.00 H new ATOM 0 HA LEU C 7 3.721 -2.028 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU C 7 1.749 -2.535 -9.779 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.481 -3.417 -11.269 1.00 0.00 H new ATOM 0 HG LEU C 7 4.114 -3.917 -10.965 1.00 0.00 H new ATOM 0 HD11 LEU C 7 4.582 -4.357 -8.583 1.00 0.00 H new ATOM 0 HD12 LEU C 7 4.300 -2.627 -8.891 1.00 0.00 H new ATOM 0 HD13 LEU C 7 3.023 -3.617 -8.146 1.00 0.00 H new ATOM 0 HD21 LEU C 7 3.465 -6.074 -9.965 1.00 0.00 H new ATOM 0 HD22 LEU C 7 1.861 -5.407 -9.579 1.00 0.00 H new ATOM 0 HD23 LEU C 7 2.361 -5.594 -11.276 1.00 0.00 H new ATOM 2079 N ASP C 22 1.454 -5.871 -14.085 1.00 0.00 N ATOM 2080 CA ASP C 22 0.035 -5.566 -14.227 1.00 0.00 C ATOM 2081 C ASP C 22 -0.631 -5.359 -12.876 1.00 0.00 C ATOM 2082 O ASP C 22 -0.299 -6.015 -11.891 1.00 0.00 O ATOM 2083 CB ASP C 22 -0.665 -6.697 -14.979 1.00 0.00 C ATOM 2084 CG ASP C 22 -2.114 -6.377 -15.291 1.00 0.00 C ATOM 2085 OD1 ASP C 22 -2.382 -5.264 -15.791 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -2.980 -7.239 -15.034 1.00 0.00 O ATOM 0 HA ASP C 22 -0.053 -4.637 -14.791 1.00 0.00 H new ATOM 0 HB2 ASP C 22 -0.132 -6.895 -15.909 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -0.618 -7.609 -14.384 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.578 -4.437 -12.847 1.00 0.00 N ATOM 2092 CA ALA C 23 -2.315 -4.121 -11.634 1.00 0.00 C ATOM 2093 C ALA C 23 -2.871 -5.387 -10.977 1.00 0.00 C ATOM 2094 O ALA C 23 -2.799 -5.550 -9.757 1.00 0.00 O ATOM 2095 CB ALA C 23 -3.426 -3.147 -11.977 1.00 0.00 C ATOM 0 H ALA C 23 -1.857 -3.888 -13.660 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.641 -3.661 -10.912 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -3.987 -2.902 -11.075 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -2.996 -2.237 -12.395 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -4.095 -3.601 -12.708 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.415 -6.282 -11.795 1.00 0.00 N ATOM 2102 CA ALA C 24 -3.973 -7.538 -11.307 1.00 0.00 C ATOM 2103 C ALA C 24 -2.877 -8.452 -10.761 1.00 0.00 C ATOM 2104 O ALA C 24 -3.118 -9.256 -9.861 1.00 0.00 O ATOM 2105 CB ALA C 24 -4.742 -8.239 -12.416 1.00 0.00 C ATOM 0 H ALA C 24 -3.481 -6.159 -12.805 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.659 -7.309 -10.491 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.153 -9.175 -12.038 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.554 -7.597 -12.757 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.070 -8.448 -13.249 1.00 0.00 H new ATOM 2111 N THR C 25 -1.672 -8.323 -11.314 1.00 0.00 N ATOM 2112 CA THR C 25 -0.539 -9.137 -10.883 1.00 0.00 C ATOM 2113 C THR C 25 -0.214 -8.866 -9.419 1.00 0.00 C ATOM 2114 O THR C 25 0.092 -9.783 -8.656 1.00 0.00 O ATOM 2115 CB THR C 25 0.685 -8.839 -11.761 1.00 0.00 C ATOM 2116 OG1 THR C 25 0.427 -9.178 -13.112 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.938 -9.575 -11.341 1.00 0.00 C ATOM 0 H THR C 25 -1.456 -7.663 -12.061 1.00 0.00 H new ATOM 0 HA THR C 25 -0.804 -10.189 -10.989 1.00 0.00 H new ATOM 0 HB THR C 25 0.860 -7.770 -11.640 1.00 0.00 H new ATOM 0 HG1 THR C 25 1.218 -8.979 -13.656 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.757 -9.311 -12.010 1.00 0.00 H new ATOM 0 HG22 THR C 25 2.199 -9.296 -10.320 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.762 -10.650 -11.389 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.305 -7.601 -9.031 1.00 0.00 N ATOM 2126 CA PHE C 26 -0.042 -7.206 -7.655 1.00 0.00 C ATOM 2127 C PHE C 26 -1.115 -7.755 -6.718 1.00 0.00 C ATOM 2128 O PHE C 26 -0.812 -8.359 -5.691 1.00 0.00 O ATOM 2129 CB PHE C 26 0.028 -5.683 -7.536 1.00 0.00 C ATOM 2130 CG PHE C 26 0.758 -5.217 -6.308 1.00 0.00 C ATOM 2131 CD1 PHE C 26 2.131 -5.368 -6.207 1.00 0.00 C ATOM 2132 CD2 PHE C 26 0.072 -4.632 -5.256 1.00 0.00 C ATOM 2133 CE1 PHE C 26 2.808 -4.944 -5.078 1.00 0.00 C ATOM 2134 CE2 PHE C 26 0.742 -4.206 -4.125 1.00 0.00 C ATOM 2135 CZ PHE C 26 2.112 -4.362 -4.037 1.00 0.00 C ATOM 0 H PHE C 26 -0.559 -6.831 -9.650 1.00 0.00 H new ATOM 0 HA PHE C 26 0.921 -7.625 -7.363 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.522 -5.279 -8.420 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -0.984 -5.279 -7.524 1.00 0.00 H new ATOM 0 HD1 PHE C 26 2.679 -5.822 -7.019 1.00 0.00 H new ATOM 0 HD2 PHE C 26 -0.999 -4.507 -5.321 1.00 0.00 H new ATOM 0 HE1 PHE C 26 3.879 -5.068 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE C 26 0.196 -3.752 -3.311 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.638 -4.029 -3.155 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.374 -7.523 -7.078 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.508 -7.971 -6.270 1.00 0.00 C ATOM 2147 C GLU C 27 -3.447 -9.467 -5.965 1.00 0.00 C ATOM 2148 O GLU C 27 -3.532 -9.875 -4.806 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.821 -7.644 -6.983 1.00 0.00 C ATOM 2150 CG GLU C 27 -5.086 -6.154 -7.117 1.00 0.00 C ATOM 2151 CD GLU C 27 -6.396 -5.856 -7.819 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -7.330 -6.679 -7.708 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -6.490 -4.800 -8.479 1.00 0.00 O ATOM 0 H GLU C 27 -2.637 -7.025 -7.928 1.00 0.00 H new ATOM 0 HA GLU C 27 -3.458 -7.439 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -4.807 -8.093 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -5.645 -8.103 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -5.098 -5.700 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -4.268 -5.692 -7.670 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.338 -10.282 -7.008 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.310 -11.734 -6.846 1.00 0.00 C ATOM 2162 C LYS C 28 -2.065 -12.215 -6.101 1.00 0.00 C ATOM 2163 O LYS C 28 -2.170 -12.983 -5.146 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.388 -12.416 -8.212 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.538 -13.927 -8.130 1.00 0.00 C ATOM 2166 CD LYS C 28 -4.088 -14.504 -9.425 1.00 0.00 C ATOM 2167 CE LYS C 28 -5.597 -14.333 -9.513 1.00 0.00 C ATOM 2168 NZ LYS C 28 -6.322 -15.411 -8.786 1.00 0.00 N ATOM 0 H LYS C 28 -3.268 -9.964 -7.975 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.177 -12.005 -6.244 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.232 -12.005 -8.766 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.488 -12.179 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -2.570 -14.378 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -4.203 -14.183 -7.305 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -3.615 -14.012 -10.274 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -3.836 -15.563 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -5.877 -13.364 -9.099 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -5.902 -14.333 -10.560 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -7.347 -15.258 -8.870 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -6.075 -16.334 -9.197 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -6.051 -15.396 -7.782 1.00 0.00 H new ATOM 2182 N VAL C 29 -0.890 -11.774 -6.538 1.00 0.00 N ATOM 2183 CA VAL C 29 0.358 -12.183 -5.901 1.00 0.00 C ATOM 2184 C VAL C 29 0.444 -11.722 -4.448 1.00 0.00 C ATOM 2185 O VAL C 29 0.889 -12.470 -3.580 1.00 0.00 O ATOM 2186 CB VAL C 29 1.588 -11.646 -6.666 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.886 -12.121 -6.020 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.527 -12.070 -8.126 1.00 0.00 C ATOM 0 H VAL C 29 -0.775 -11.137 -7.326 1.00 0.00 H new ATOM 0 HA VAL C 29 0.361 -13.273 -5.925 1.00 0.00 H new ATOM 0 HB VAL C 29 1.571 -10.557 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.735 -11.728 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.932 -11.764 -4.991 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.919 -13.210 -6.028 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.400 -11.685 -8.653 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.516 -13.158 -8.189 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.621 -11.671 -8.583 1.00 0.00 H new ATOM 2198 N VAL C 30 0.029 -10.487 -4.188 1.00 0.00 N ATOM 2199 CA VAL C 30 0.086 -9.941 -2.838 1.00 0.00 C ATOM 2200 C VAL C 30 -0.936 -10.597 -1.916 1.00 0.00 C ATOM 2201 O VAL C 30 -0.604 -10.977 -0.794 1.00 0.00 O ATOM 2202 CB VAL C 30 -0.098 -8.405 -2.828 1.00 0.00 C ATOM 2203 CG1 VAL C 30 -0.023 -7.849 -1.411 1.00 0.00 C ATOM 2204 CG2 VAL C 30 0.950 -7.744 -3.712 1.00 0.00 C ATOM 0 H VAL C 30 -0.348 -9.849 -4.889 1.00 0.00 H new ATOM 0 HA VAL C 30 1.083 -10.167 -2.459 1.00 0.00 H new ATOM 0 HB VAL C 30 -1.088 -8.181 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -0.156 -6.767 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.809 -8.297 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL C 30 0.949 -8.085 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL C 30 0.810 -6.663 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.945 -7.986 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.846 -8.109 -4.734 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.173 -10.744 -2.379 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.205 -11.369 -1.566 1.00 0.00 C ATOM 2216 C LYS C 31 -2.843 -12.819 -1.269 1.00 0.00 C ATOM 2217 O LYS C 31 -2.941 -13.278 -0.132 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.553 -11.301 -2.288 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.741 -11.651 -1.408 1.00 0.00 C ATOM 2220 CD LYS C 31 -7.030 -11.692 -2.212 1.00 0.00 C ATOM 2221 CE LYS C 31 -8.188 -12.220 -1.382 1.00 0.00 C ATOM 2222 NZ LYS C 31 -9.499 -11.998 -2.052 1.00 0.00 N ATOM 0 H LYS C 31 -2.481 -10.442 -3.303 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.280 -10.829 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.691 -10.295 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.532 -11.980 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.574 -12.619 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.832 -10.917 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -7.267 -10.691 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -6.893 -12.323 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -8.049 -13.286 -1.201 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -8.190 -11.729 -0.409 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -10.263 -12.372 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.644 -10.979 -2.202 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -9.507 -12.487 -2.970 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.416 -13.532 -2.303 1.00 0.00 N ATOM 2237 CA GLN C 32 -2.030 -14.927 -2.158 1.00 0.00 C ATOM 2238 C GLN C 32 -0.838 -15.075 -1.217 1.00 0.00 C ATOM 2239 O GLN C 32 -0.848 -15.921 -0.322 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.696 -15.530 -3.523 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.468 -17.033 -3.485 1.00 0.00 C ATOM 2242 CD GLN C 32 -1.784 -17.705 -4.807 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -0.923 -18.340 -5.415 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -3.025 -17.566 -5.260 1.00 0.00 N ATOM 0 H GLN C 32 -2.329 -13.166 -3.251 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.874 -15.465 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.508 -15.312 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.802 -15.045 -3.916 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -0.430 -17.233 -3.219 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -2.087 -17.471 -2.702 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -3.707 -17.031 -4.723 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -3.296 -17.995 -6.145 1.00 0.00 H new ATOM 2253 N PHE C 33 0.188 -14.249 -1.414 1.00 0.00 N ATOM 2254 CA PHE C 33 1.380 -14.286 -0.575 1.00 0.00 C ATOM 2255 C PHE C 33 1.093 -13.846 0.861 1.00 0.00 C ATOM 2256 O PHE C 33 1.534 -14.494 1.813 1.00 0.00 O ATOM 2257 CB PHE C 33 2.488 -13.441 -1.239 1.00 0.00 C ATOM 2258 CG PHE C 33 3.558 -12.925 -0.314 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.324 -13.780 0.461 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.804 -11.563 -0.247 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.308 -13.279 1.298 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.785 -11.059 0.583 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.535 -11.916 1.360 1.00 0.00 C ATOM 0 H PHE C 33 0.216 -13.544 -2.151 1.00 0.00 H new ATOM 0 HA PHE C 33 1.724 -15.317 -0.495 1.00 0.00 H new ATOM 0 HB2 PHE C 33 2.963 -14.042 -2.014 1.00 0.00 H new ATOM 0 HB3 PHE C 33 2.022 -12.590 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.153 -14.845 0.413 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.220 -10.886 -0.853 1.00 0.00 H new ATOM 0 HE1 PHE C 33 5.898 -13.953 1.902 1.00 0.00 H new ATOM 0 HE2 PHE C 33 4.965 -9.995 0.624 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.298 -11.524 2.016 1.00 0.00 H new ATOM 2273 N PHE C 34 0.361 -12.749 1.021 1.00 0.00 N ATOM 2274 CA PHE C 34 0.036 -12.244 2.351 1.00 0.00 C ATOM 2275 C PHE C 34 -1.044 -13.069 3.055 1.00 0.00 C ATOM 2276 O PHE C 34 -0.991 -13.243 4.272 1.00 0.00 O ATOM 2277 CB PHE C 34 -0.327 -10.760 2.294 1.00 0.00 C ATOM 2278 CG PHE C 34 0.899 -9.893 2.259 1.00 0.00 C ATOM 2279 CD1 PHE C 34 1.593 -9.692 1.077 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.381 -9.311 3.422 1.00 0.00 C ATOM 2281 CE1 PHE C 34 2.746 -8.929 1.056 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.528 -8.542 3.405 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.214 -8.354 2.221 1.00 0.00 C ATOM 0 H PHE C 34 -0.017 -12.195 0.252 1.00 0.00 H new ATOM 0 HA PHE C 34 0.934 -12.351 2.960 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.935 -10.567 1.410 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.933 -10.499 3.161 1.00 0.00 H new ATOM 0 HD1 PHE C 34 1.230 -10.136 0.162 1.00 0.00 H new ATOM 0 HD2 PHE C 34 0.853 -9.461 4.352 1.00 0.00 H new ATOM 0 HE1 PHE C 34 3.280 -8.783 0.129 1.00 0.00 H new ATOM 0 HE2 PHE C 34 2.888 -8.088 4.316 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.115 -7.758 2.206 1.00 0.00 H new ATOM 2293 N ASN C 35 -2.008 -13.592 2.301 1.00 0.00 N ATOM 2294 CA ASN C 35 -3.065 -14.414 2.896 1.00 0.00 C ATOM 2295 C ASN C 35 -2.469 -15.583 3.685 1.00 0.00 C ATOM 2296 O ASN C 35 -3.032 -16.025 4.687 1.00 0.00 O ATOM 2297 CB ASN C 35 -4.028 -14.934 1.821 1.00 0.00 C ATOM 2298 CG ASN C 35 -5.104 -13.928 1.423 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -4.806 -12.635 1.516 1.00 0.00 O flip ATOM 2300 ND2 ASN C 35 -6.207 -14.319 1.040 1.00 0.00 N flip ATOM 0 H ASN C 35 -2.082 -13.466 1.292 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.627 -13.784 3.585 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.455 -15.210 0.935 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.509 -15.842 2.185 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -6.401 -15.319 0.981 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -6.926 -13.643 0.782 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.322 -16.068 3.225 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.619 -17.176 3.870 1.00 0.00 C ATOM 2309 C ASP C 36 -0.186 -16.827 5.301 1.00 0.00 C ATOM 2310 O ASP C 36 0.130 -17.717 6.089 1.00 0.00 O ATOM 2311 CB ASP C 36 0.601 -17.579 3.041 1.00 0.00 C ATOM 2312 CG ASP C 36 0.227 -18.026 1.641 1.00 0.00 C ATOM 2313 OD1 ASP C 36 -0.912 -18.505 1.454 1.00 0.00 O ATOM 2314 OD2 ASP C 36 1.072 -17.897 0.730 1.00 0.00 O ATOM 0 H ASP C 36 -0.851 -15.706 2.395 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.314 -18.013 3.929 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.289 -16.736 2.979 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.131 -18.386 3.548 1.00 0.00 H new ATOM 2319 N ASN C 37 -0.163 -15.533 5.627 1.00 0.00 N ATOM 2320 CA ASN C 37 0.247 -15.096 6.964 1.00 0.00 C ATOM 2321 C ASN C 37 -0.949 -14.648 7.809 1.00 0.00 C ATOM 2322 O ASN C 37 -0.874 -14.642 9.039 1.00 0.00 O ATOM 2323 CB ASN C 37 1.289 -13.976 6.875 1.00 0.00 C ATOM 2324 CG ASN C 37 0.722 -12.684 6.324 1.00 0.00 C ATOM 2325 OD1 ASN C 37 -0.232 -12.128 6.867 1.00 0.00 O ATOM 2326 ND2 ASN C 37 1.314 -12.196 5.241 1.00 0.00 N ATOM 0 H ASN C 37 -0.420 -14.777 4.992 1.00 0.00 H new ATOM 0 HA ASN C 37 0.698 -15.955 7.460 1.00 0.00 H new ATOM 0 HB2 ASN C 37 1.702 -13.792 7.867 1.00 0.00 H new ATOM 0 HB3 ASN C 37 2.114 -14.304 6.242 1.00 0.00 H new ATOM 0 HD21 ASN C 37 0.981 -11.326 4.826 1.00 0.00 H new ATOM 0 HD22 ASN C 37 2.102 -12.691 4.824 1.00 0.00 H new ATOM 2333 N GLY C 38 -2.054 -14.287 7.155 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.239 -13.865 7.890 1.00 0.00 C ATOM 2335 C GLY C 38 -3.849 -12.561 7.394 1.00 0.00 C ATOM 2336 O GLY C 38 -4.685 -11.971 8.081 1.00 0.00 O ATOM 0 H GLY C 38 -2.150 -14.279 6.140 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -3.991 -14.652 7.828 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -2.980 -13.755 8.943 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.453 -12.107 6.209 1.00 0.00 N ATOM 2341 CA VAL C 39 -3.995 -10.869 5.654 1.00 0.00 C ATOM 2342 C VAL C 39 -5.251 -11.154 4.838 1.00 0.00 C ATOM 2343 O VAL C 39 -5.341 -12.179 4.163 1.00 0.00 O ATOM 2344 CB VAL C 39 -2.964 -10.143 4.767 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.496 -8.786 4.321 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.643 -9.990 5.505 1.00 0.00 C ATOM 0 H VAL C 39 -2.764 -12.572 5.618 1.00 0.00 H new ATOM 0 HA VAL C 39 -4.243 -10.221 6.494 1.00 0.00 H new ATOM 0 HB VAL C 39 -2.791 -10.746 3.876 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.752 -8.291 3.696 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.415 -8.925 3.751 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.702 -8.170 5.197 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -0.926 -9.476 4.865 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.799 -9.410 6.414 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.255 -10.975 5.765 1.00 0.00 H new ATOM 2356 N ASP C 40 -6.222 -10.248 4.908 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.472 -10.417 4.175 1.00 0.00 C ATOM 2358 C ASP C 40 -8.141 -9.072 3.914 1.00 0.00 C ATOM 2359 O ASP C 40 -7.638 -8.023 4.320 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.423 -11.327 4.956 1.00 0.00 C ATOM 2361 CG ASP C 40 -7.983 -12.777 4.936 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -8.389 -13.507 4.007 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -7.236 -13.184 5.850 1.00 0.00 O ATOM 0 H ASP C 40 -6.168 -9.393 5.462 1.00 0.00 H new ATOM 0 HA ASP C 40 -7.240 -10.877 3.215 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.484 -10.983 5.989 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.425 -11.248 4.534 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.283 -9.112 3.233 1.00 0.00 N ATOM 2369 CA GLY C 41 -10.012 -7.894 2.922 1.00 0.00 C ATOM 2370 C GLY C 41 -10.173 -7.683 1.428 1.00 0.00 C ATOM 2371 O GLY C 41 -10.335 -8.643 0.675 1.00 0.00 O ATOM 0 H GLY C 41 -9.718 -9.969 2.890 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -10.996 -7.933 3.389 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.489 -7.040 3.353 1.00 0.00 H new ATOM 2375 N GLU C 42 -10.129 -6.425 1.000 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.272 -6.095 -0.414 1.00 0.00 C ATOM 2377 C GLU C 42 -9.478 -4.840 -0.764 1.00 0.00 C ATOM 2378 O GLU C 42 -9.197 -4.009 0.101 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.746 -5.896 -0.767 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.562 -7.179 -0.720 1.00 0.00 C ATOM 2381 CD GLU C 42 -13.985 -6.984 -1.206 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -14.209 -6.079 -2.038 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -14.874 -7.736 -0.755 1.00 0.00 O ATOM 0 H GLU C 42 -9.996 -5.619 1.611 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.876 -6.927 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -12.182 -5.173 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.817 -5.467 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -12.074 -7.938 -1.332 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -12.580 -7.556 0.302 1.00 0.00 H new ATOM 2390 N TRP C 43 -9.121 -4.709 -2.037 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.361 -3.556 -2.506 1.00 0.00 C ATOM 2392 C TRP C 43 -9.233 -2.314 -2.575 1.00 0.00 C ATOM 2393 O TRP C 43 -10.210 -2.262 -3.323 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.741 -3.845 -3.873 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.614 -4.832 -3.812 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.686 -6.173 -4.056 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.249 -4.557 -3.479 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.448 -6.749 -3.897 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.550 -5.777 -3.543 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.548 -3.396 -3.134 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -3.186 -5.869 -3.275 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -3.195 -3.490 -2.870 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.526 -4.717 -2.941 1.00 0.00 C ATOM 0 H TRP C 43 -9.346 -5.388 -2.764 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.562 -3.368 -1.789 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.513 -4.225 -4.542 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.376 -2.913 -4.304 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.585 -6.704 -4.334 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -5.233 -7.738 -4.022 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -5.055 -2.444 -3.075 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.668 -6.815 -3.329 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.644 -2.600 -2.604 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.468 -4.756 -2.728 1.00 0.00 H new ATOM 2414 N THR C 44 -8.863 -1.311 -1.789 1.00 0.00 N ATOM 2415 CA THR C 44 -9.595 -0.058 -1.753 1.00 0.00 C ATOM 2416 C THR C 44 -8.766 1.061 -2.365 1.00 0.00 C ATOM 2417 O THR C 44 -7.554 1.136 -2.165 1.00 0.00 O ATOM 2418 CB THR C 44 -9.972 0.299 -0.315 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.811 0.494 0.473 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.815 -0.760 0.363 1.00 0.00 C ATOM 0 H THR C 44 -8.056 -1.345 -1.166 1.00 0.00 H new ATOM 0 HA THR C 44 -10.508 -0.178 -2.337 1.00 0.00 H new ATOM 0 HB THR C 44 -10.558 1.215 -0.388 1.00 0.00 H new ATOM 0 HG1 THR C 44 -8.018 0.476 -0.103 1.00 0.00 H new ATOM 0 HG21 THR C 44 -11.047 -0.444 1.380 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.741 -0.899 -0.194 1.00 0.00 H new ATOM 0 HG23 THR C 44 -10.264 -1.700 0.392 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.436 1.932 -3.100 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.777 3.062 -3.741 1.00 0.00 C ATOM 2430 C TYR C 45 -8.323 4.085 -2.704 1.00 0.00 C ATOM 2431 O TYR C 45 -8.997 4.305 -1.697 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.710 3.723 -4.755 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.763 3.005 -6.084 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.774 3.206 -7.039 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.796 2.127 -6.384 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.813 2.554 -8.256 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.843 1.469 -7.600 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.850 1.687 -8.532 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.893 1.035 -9.743 1.00 0.00 O ATOM 0 H TYR C 45 -10.440 1.880 -3.269 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.898 2.686 -4.265 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.715 3.769 -4.336 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.386 4.751 -4.919 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.961 3.884 -6.826 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.575 1.955 -5.656 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -8.036 2.722 -8.987 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.653 0.788 -7.818 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.686 0.461 -9.777 1.00 0.00 H new ATOM 2449 N ASP C 46 -7.174 4.705 -2.955 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.626 5.702 -2.043 1.00 0.00 C ATOM 2451 C ASP C 46 -7.430 6.996 -2.102 1.00 0.00 C ATOM 2452 O ASP C 46 -8.136 7.256 -3.076 1.00 0.00 O ATOM 2453 CB ASP C 46 -5.168 5.998 -2.394 1.00 0.00 C ATOM 2454 CG ASP C 46 -4.216 4.938 -1.879 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -4.287 3.791 -2.366 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -3.399 5.257 -0.991 1.00 0.00 O ATOM 0 H ASP C 46 -6.604 4.534 -3.784 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.683 5.297 -1.033 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -5.068 6.076 -3.477 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -4.888 6.966 -1.978 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.318 7.806 -1.054 1.00 0.00 N ATOM 2462 CA ASP C 47 -8.033 9.076 -0.992 1.00 0.00 C ATOM 2463 C ASP C 47 -7.510 10.036 -2.056 1.00 0.00 C ATOM 2464 O ASP C 47 -6.302 10.246 -2.176 1.00 0.00 O ATOM 2465 CB ASP C 47 -7.887 9.702 0.396 1.00 0.00 C ATOM 2466 CG ASP C 47 -8.912 10.790 0.650 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -10.023 10.462 1.115 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -8.602 11.971 0.384 1.00 0.00 O ATOM 0 H ASP C 47 -6.740 7.606 -0.238 1.00 0.00 H new ATOM 0 HA ASP C 47 -9.089 8.885 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -7.990 8.926 1.154 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -6.885 10.119 0.500 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.425 10.606 -2.835 1.00 0.00 N ATOM 2474 CA ALA C 48 -8.060 11.533 -3.902 1.00 0.00 C ATOM 2475 C ALA C 48 -7.224 12.699 -3.379 1.00 0.00 C ATOM 2476 O ALA C 48 -7.457 13.207 -2.283 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.310 12.051 -4.597 1.00 0.00 C ATOM 0 H ALA C 48 -9.428 10.441 -2.747 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.449 10.986 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -9.025 12.741 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.862 11.214 -5.025 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -9.940 12.569 -3.874 1.00 0.00 H new ATOM 2483 N THR C 49 -6.250 13.118 -4.183 1.00 0.00 N ATOM 2484 CA THR C 49 -5.369 14.223 -3.823 1.00 0.00 C ATOM 2485 C THR C 49 -5.164 15.155 -5.015 1.00 0.00 C ATOM 2486 O THR C 49 -5.332 14.747 -6.164 1.00 0.00 O ATOM 2487 CB THR C 49 -4.022 13.695 -3.331 1.00 0.00 C ATOM 2488 OG1 THR C 49 -4.205 12.611 -2.437 1.00 0.00 O ATOM 2489 CG2 THR C 49 -3.191 14.741 -2.619 1.00 0.00 C ATOM 0 H THR C 49 -6.051 12.705 -5.094 1.00 0.00 H new ATOM 0 HA THR C 49 -5.839 14.786 -3.017 1.00 0.00 H new ATOM 0 HB THR C 49 -3.490 13.382 -4.229 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.332 12.286 -2.134 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.248 14.299 -2.296 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.990 15.570 -3.298 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.736 15.109 -1.749 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.810 16.407 -4.740 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.595 17.387 -5.800 1.00 0.00 C ATOM 2499 C LYS C 50 -3.204 18.010 -5.711 1.00 0.00 C ATOM 2500 O LYS C 50 -2.854 18.641 -4.714 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.659 18.485 -5.728 1.00 0.00 C ATOM 2502 CG LYS C 50 -6.995 18.078 -6.327 1.00 0.00 C ATOM 2503 CD LYS C 50 -8.122 18.965 -5.825 1.00 0.00 C ATOM 2504 CE LYS C 50 -9.469 18.267 -5.928 1.00 0.00 C ATOM 2505 NZ LYS C 50 -10.546 19.031 -5.239 1.00 0.00 N ATOM 0 H LYS C 50 -4.666 16.766 -3.796 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.674 16.866 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -5.808 18.767 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -5.292 19.370 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -6.941 18.137 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -7.207 17.039 -6.074 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -7.933 19.243 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -8.145 19.889 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -9.731 18.137 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -9.395 17.271 -5.492 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -10.843 18.518 -4.384 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -10.189 19.971 -4.972 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -11.359 19.138 -5.879 1.00 0.00 H new ATOM 2519 N THR C 51 -2.420 17.830 -6.771 1.00 0.00 N ATOM 2520 CA THR C 51 -1.068 18.374 -6.836 1.00 0.00 C ATOM 2521 C THR C 51 -1.020 19.569 -7.788 1.00 0.00 C ATOM 2522 O THR C 51 -1.527 19.502 -8.908 1.00 0.00 O ATOM 2523 CB THR C 51 -0.085 17.281 -7.282 1.00 0.00 C ATOM 2524 OG1 THR C 51 0.015 16.272 -6.295 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.318 17.788 -7.554 1.00 0.00 C ATOM 0 H THR C 51 -2.701 17.308 -7.601 1.00 0.00 H new ATOM 0 HA THR C 51 -0.776 18.720 -5.844 1.00 0.00 H new ATOM 0 HB THR C 51 -0.496 16.897 -8.216 1.00 0.00 H new ATOM 0 HG1 THR C 51 0.384 15.458 -6.696 1.00 0.00 H new ATOM 0 HG21 THR C 51 1.952 16.957 -7.864 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.287 18.536 -8.346 1.00 0.00 H new ATOM 0 HG23 THR C 51 1.725 18.236 -6.648 1.00 0.00 H new ATOM 2533 N PHE C 52 -0.410 20.661 -7.336 1.00 0.00 N ATOM 2534 CA PHE C 52 -0.296 21.869 -8.149 1.00 0.00 C ATOM 2535 C PHE C 52 0.848 21.755 -9.152 1.00 0.00 C ATOM 2536 O PHE C 52 2.011 21.642 -8.768 1.00 0.00 O ATOM 2537 CB PHE C 52 -0.083 23.095 -7.259 1.00 0.00 C ATOM 2538 CG PHE C 52 -0.099 24.394 -8.014 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -1.297 25.024 -8.311 1.00 0.00 C ATOM 2540 CD2 PHE C 52 1.085 24.984 -8.427 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -1.314 26.218 -9.006 1.00 0.00 C ATOM 2542 CE2 PHE C 52 1.074 26.178 -9.123 1.00 0.00 C ATOM 2543 CZ PHE C 52 -0.127 26.796 -9.412 1.00 0.00 C ATOM 0 H PHE C 52 0.013 20.735 -6.411 1.00 0.00 H new ATOM 0 HA PHE C 52 -1.228 21.984 -8.702 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.860 23.119 -6.495 1.00 0.00 H new ATOM 0 HB3 PHE C 52 0.871 22.997 -6.741 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -2.228 24.577 -7.996 1.00 0.00 H new ATOM 0 HD2 PHE C 52 2.027 24.505 -8.202 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -2.254 26.699 -9.232 1.00 0.00 H new ATOM 0 HE2 PHE C 52 2.003 26.627 -9.441 1.00 0.00 H new ATOM 0 HZ PHE C 52 -0.138 27.730 -9.955 1.00 0.00 H new ATOM 2553 N THR C 53 0.514 21.795 -10.438 1.00 0.00 N ATOM 2554 CA THR C 53 1.522 21.707 -11.489 1.00 0.00 C ATOM 2555 C THR C 53 1.998 23.101 -11.888 1.00 0.00 C ATOM 2556 O THR C 53 1.194 23.957 -12.259 1.00 0.00 O ATOM 2557 CB THR C 53 0.963 20.972 -12.711 1.00 0.00 C ATOM 2558 OG1 THR C 53 0.535 19.670 -12.358 1.00 0.00 O ATOM 2559 CG2 THR C 53 1.962 20.835 -13.840 1.00 0.00 C ATOM 0 H THR C 53 -0.444 21.887 -10.777 1.00 0.00 H new ATOM 0 HA THR C 53 2.371 21.143 -11.102 1.00 0.00 H new ATOM 0 HB THR C 53 0.130 21.584 -13.058 1.00 0.00 H new ATOM 0 HG1 THR C 53 -0.133 19.728 -11.644 1.00 0.00 H new ATOM 0 HG21 THR C 53 1.500 20.305 -14.673 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.276 21.825 -14.170 1.00 0.00 H new ATOM 0 HG23 THR C 53 2.830 20.276 -13.492 1.00 0.00 H new ATOM 2567 N VAL C 54 3.305 23.325 -11.805 1.00 0.00 N ATOM 2568 CA VAL C 54 3.877 24.620 -12.155 1.00 0.00 C ATOM 2569 C VAL C 54 3.843 24.847 -13.661 1.00 0.00 C ATOM 2570 O VAL C 54 3.789 23.899 -14.443 1.00 0.00 O ATOM 2571 CB VAL C 54 5.334 24.756 -11.670 1.00 0.00 C ATOM 2572 CG1 VAL C 54 5.792 26.205 -11.762 1.00 0.00 C ATOM 2573 CG2 VAL C 54 5.486 24.234 -10.248 1.00 0.00 C ATOM 0 H VAL C 54 3.986 22.630 -11.500 1.00 0.00 H new ATOM 0 HA VAL C 54 3.265 25.370 -11.655 1.00 0.00 H new ATOM 0 HB VAL C 54 5.967 24.151 -12.320 1.00 0.00 H new ATOM 0 HG11 VAL C 54 6.823 26.284 -11.416 1.00 0.00 H new ATOM 0 HG12 VAL C 54 5.730 26.541 -12.797 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.151 26.829 -11.139 1.00 0.00 H new ATOM 0 HG21 VAL C 54 6.523 24.341 -9.930 1.00 0.00 H new ATOM 0 HG22 VAL C 54 4.841 24.804 -9.580 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.203 23.182 -10.214 1.00 0.00 H new ATOM 2583 N THR C 55 3.878 26.114 -14.058 1.00 0.00 N ATOM 2584 CA THR C 55 3.854 26.474 -15.471 1.00 0.00 C ATOM 2585 C THR C 55 4.603 27.778 -15.709 1.00 0.00 C ATOM 2586 O THR C 55 5.676 27.791 -16.314 1.00 0.00 O ATOM 2587 CB THR C 55 2.411 26.599 -15.962 1.00 0.00 C ATOM 2588 OG1 THR C 55 1.698 25.396 -15.732 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.305 26.918 -17.437 1.00 0.00 C ATOM 0 H THR C 55 3.923 26.909 -13.421 1.00 0.00 H new ATOM 0 HA THR C 55 4.351 25.684 -16.033 1.00 0.00 H new ATOM 0 HB THR C 55 1.985 27.427 -15.396 1.00 0.00 H new ATOM 0 HG1 THR C 55 0.832 25.436 -16.190 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.255 26.993 -17.719 1.00 0.00 H new ATOM 0 HG22 THR C 55 2.804 27.866 -17.641 1.00 0.00 H new ATOM 0 HG23 THR C 55 2.780 26.126 -18.016 1.00 0.00 H new ATOM 2597 N GLU C 56 4.030 28.872 -15.228 1.00 0.00 N ATOM 2598 CA GLU C 56 4.637 30.190 -15.381 1.00 0.00 C ATOM 2599 C GLU C 56 4.820 30.542 -16.854 1.00 0.00 C ATOM 2600 O GLU C 56 3.940 31.234 -17.410 1.00 0.00 O ATOM 2601 CB GLU C 56 5.985 30.240 -14.661 1.00 0.00 C ATOM 2602 CG GLU C 56 5.919 29.783 -13.212 1.00 0.00 C ATOM 2603 CD GLU C 56 7.283 29.740 -12.551 1.00 0.00 C ATOM 2604 OE1 GLU C 56 8.030 30.734 -12.665 1.00 0.00 O ATOM 2605 OE2 GLU C 56 7.603 28.712 -11.918 1.00 0.00 O ATOM 2606 OXT GLU C 56 5.841 30.125 -17.438 1.00 0.00 O ATOM 0 H GLU C 56 3.142 28.874 -14.726 1.00 0.00 H new ATOM 0 HA GLU C 56 3.966 30.923 -14.934 1.00 0.00 H new ATOM 0 HB2 GLU C 56 6.698 29.614 -15.198 1.00 0.00 H new ATOM 0 HB3 GLU C 56 6.368 31.260 -14.694 1.00 0.00 H new ATOM 0 HG2 GLU C 56 5.269 30.456 -12.652 1.00 0.00 H new ATOM 0 HG3 GLU C 56 5.467 28.792 -13.168 1.00 0.00 H new ATOM 2614 N MET D 1 0.521 1.871 -12.148 1.00 0.00 N ATOM 2615 CA MET D 1 -0.333 2.131 -10.960 1.00 0.00 C ATOM 2616 C MET D 1 0.479 2.066 -9.673 1.00 0.00 C ATOM 2617 O MET D 1 1.309 1.175 -9.497 1.00 0.00 O ATOM 2618 CB MET D 1 -1.458 1.093 -10.931 1.00 0.00 C ATOM 2619 CG MET D 1 -2.628 1.437 -11.838 1.00 0.00 C ATOM 2620 SD MET D 1 -3.964 2.273 -10.963 1.00 0.00 S ATOM 2621 CE MET D 1 -3.043 3.479 -10.012 1.00 0.00 C ATOM 0 H1 MET D 1 0.141 2.386 -12.968 1.00 0.00 H new ATOM 0 H2 MET D 1 1.491 2.193 -11.955 1.00 0.00 H new ATOM 0 H3 MET D 1 0.529 0.852 -12.353 1.00 0.00 H new ATOM 0 HA MET D 1 -0.751 3.135 -11.032 1.00 0.00 H new ATOM 0 HB2 MET D 1 -1.054 0.124 -11.225 1.00 0.00 H new ATOM 0 HB3 MET D 1 -1.820 0.991 -9.908 1.00 0.00 H new ATOM 0 HG2 MET D 1 -2.278 2.073 -12.651 1.00 0.00 H new ATOM 0 HG3 MET D 1 -3.012 0.523 -12.291 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.737 4.122 -9.471 1.00 0.00 H new ATOM 0 HE2 MET D 1 -2.396 2.965 -9.302 1.00 0.00 H new ATOM 0 HE3 MET D 1 -2.435 4.085 -10.684 1.00 0.00 H new ATOM 2633 N GLN D 2 0.232 3.014 -8.775 1.00 0.00 N ATOM 2634 CA GLN D 2 0.941 3.063 -7.501 1.00 0.00 C ATOM 2635 C GLN D 2 0.236 2.202 -6.459 1.00 0.00 C ATOM 2636 O GLN D 2 -0.948 2.392 -6.181 1.00 0.00 O ATOM 2637 CB GLN D 2 1.039 4.508 -7.005 1.00 0.00 C ATOM 2638 CG GLN D 2 1.983 4.685 -5.827 1.00 0.00 C ATOM 2639 CD GLN D 2 2.524 6.097 -5.723 1.00 0.00 C ATOM 2640 OE1 GLN D 2 3.601 6.374 -6.448 1.00 0.00 O flip ATOM 2641 NE2 GLN D 2 1.979 6.931 -4.999 1.00 0.00 N flip ATOM 0 H GLN D 2 -0.453 3.758 -8.906 1.00 0.00 H new ATOM 0 HA GLN D 2 1.946 2.670 -7.654 1.00 0.00 H new ATOM 0 HB2 GLN D 2 1.373 5.143 -7.826 1.00 0.00 H new ATOM 0 HB3 GLN D 2 0.046 4.853 -6.719 1.00 0.00 H new ATOM 0 HG2 GLN D 2 1.460 4.431 -4.905 1.00 0.00 H new ATOM 0 HG3 GLN D 2 2.815 3.987 -5.924 1.00 0.00 H new ATOM 0 HE21 GLN D 2 1.153 6.675 -4.459 1.00 0.00 H new ATOM 0 HE22 GLN D 2 2.354 7.878 -4.940 1.00 0.00 H new ATOM 2650 N TYR D 3 0.968 1.246 -5.895 1.00 0.00 N ATOM 2651 CA TYR D 3 0.406 0.346 -4.895 1.00 0.00 C ATOM 2652 C TYR D 3 0.946 0.632 -3.496 1.00 0.00 C ATOM 2653 O TYR D 3 2.156 0.719 -3.284 1.00 0.00 O ATOM 2654 CB TYR D 3 0.681 -1.109 -5.274 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.280 -1.652 -6.307 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -1.590 -1.960 -5.965 1.00 0.00 C ATOM 2657 CD2 TYR D 3 0.120 -1.852 -7.623 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -2.475 -2.455 -6.903 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -0.760 -2.346 -8.568 1.00 0.00 C ATOM 2660 CZ TYR D 3 -2.056 -2.646 -8.202 1.00 0.00 C ATOM 2661 OH TYR D 3 -2.935 -3.138 -9.140 1.00 0.00 O ATOM 0 H TYR D 3 1.950 1.075 -6.113 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.670 0.518 -4.875 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.698 -1.191 -5.656 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.627 -1.727 -4.378 1.00 0.00 H new ATOM 0 HD1 TYR D 3 -1.923 -1.810 -4.948 1.00 0.00 H new ATOM 0 HD2 TYR D 3 1.134 -1.618 -7.912 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -3.490 -2.691 -6.620 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -0.435 -2.496 -9.587 1.00 0.00 H new ATOM 0 HH TYR D 3 -3.066 -4.098 -8.994 1.00 0.00 H new ATOM 2671 N LYS D 4 0.021 0.768 -2.551 1.00 0.00 N ATOM 2672 CA LYS D 4 0.369 1.038 -1.160 1.00 0.00 C ATOM 2673 C LYS D 4 0.166 -0.209 -0.304 1.00 0.00 C ATOM 2674 O LYS D 4 -0.914 -0.799 -0.298 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.482 2.189 -0.616 1.00 0.00 C ATOM 2676 CG LYS D 4 0.230 3.031 0.432 1.00 0.00 C ATOM 2677 CD LYS D 4 -0.105 4.507 0.287 1.00 0.00 C ATOM 2678 CE LYS D 4 -1.220 4.921 1.236 1.00 0.00 C ATOM 2679 NZ LYS D 4 -1.768 6.263 0.897 1.00 0.00 N ATOM 0 H LYS D 4 -0.981 0.695 -2.725 1.00 0.00 H new ATOM 0 HA LYS D 4 1.420 1.322 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -0.781 2.831 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -1.395 1.781 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS D 4 -0.053 2.689 1.428 1.00 0.00 H new ATOM 0 HG3 LYS D 4 1.307 2.891 0.341 1.00 0.00 H new ATOM 0 HD2 LYS D 4 0.785 5.104 0.486 1.00 0.00 H new ATOM 0 HD3 LYS D 4 -0.404 4.714 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS D 4 -2.021 4.182 1.200 1.00 0.00 H new ATOM 0 HE3 LYS D 4 -0.842 4.931 2.258 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 -2.360 6.604 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 -0.984 6.928 0.740 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 -2.343 6.195 0.033 1.00 0.00 H new ATOM 2693 N VAL D 5 1.213 -0.608 0.414 1.00 0.00 N ATOM 2694 CA VAL D 5 1.145 -1.789 1.268 1.00 0.00 C ATOM 2695 C VAL D 5 1.925 -1.581 2.563 1.00 0.00 C ATOM 2696 O VAL D 5 3.109 -1.240 2.540 1.00 0.00 O ATOM 2697 CB VAL D 5 1.692 -3.038 0.550 1.00 0.00 C ATOM 2698 CG1 VAL D 5 1.396 -4.291 1.358 1.00 0.00 C ATOM 2699 CG2 VAL D 5 1.108 -3.151 -0.851 1.00 0.00 C ATOM 0 H VAL D 5 2.115 -0.132 0.421 1.00 0.00 H new ATOM 0 HA VAL D 5 0.092 -1.945 1.502 1.00 0.00 H new ATOM 0 HB VAL D 5 2.774 -2.936 0.461 1.00 0.00 H new ATOM 0 HG11 VAL D 5 1.790 -5.163 0.835 1.00 0.00 H new ATOM 0 HG12 VAL D 5 1.867 -4.212 2.338 1.00 0.00 H new ATOM 0 HG13 VAL D 5 0.318 -4.398 1.481 1.00 0.00 H new ATOM 0 HG21 VAL D 5 1.507 -4.039 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL D 5 0.023 -3.228 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL D 5 1.376 -2.267 -1.429 1.00 0.00 H new ATOM 2709 N ILE D 6 1.253 -1.787 3.691 1.00 0.00 N ATOM 2710 CA ILE D 6 1.881 -1.624 4.998 1.00 0.00 C ATOM 2711 C ILE D 6 2.437 -2.947 5.521 1.00 0.00 C ATOM 2712 O ILE D 6 1.710 -3.932 5.642 1.00 0.00 O ATOM 2713 CB ILE D 6 0.885 -1.057 6.031 1.00 0.00 C ATOM 2714 CG1 ILE D 6 0.161 0.164 5.459 1.00 0.00 C ATOM 2715 CG2 ILE D 6 1.607 -0.694 7.321 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -0.978 0.652 6.327 1.00 0.00 C ATOM 0 H ILE D 6 0.273 -2.067 3.727 1.00 0.00 H new ATOM 0 HA ILE D 6 2.702 -0.920 4.864 1.00 0.00 H new ATOM 0 HB ILE D 6 0.144 -1.824 6.255 1.00 0.00 H new ATOM 0 HG12 ILE D 6 0.879 0.973 5.327 1.00 0.00 H new ATOM 0 HG13 ILE D 6 -0.226 -0.083 4.471 1.00 0.00 H new ATOM 0 HG21 ILE D 6 0.890 -0.296 8.039 1.00 0.00 H new ATOM 0 HG22 ILE D 6 2.080 -1.584 7.736 1.00 0.00 H new ATOM 0 HG23 ILE D 6 2.368 0.058 7.113 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -1.445 1.519 5.860 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -1.716 -0.142 6.439 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -0.594 0.931 7.308 1.00 0.00 H new ATOM 2728 N LEU D 7 3.728 -2.957 5.845 1.00 0.00 N ATOM 2729 CA LEU D 7 4.380 -4.152 6.373 1.00 0.00 C ATOM 2730 C LEU D 7 5.251 -3.788 7.573 1.00 0.00 C ATOM 2731 O LEU D 7 6.249 -3.080 7.433 1.00 0.00 O ATOM 2732 CB LEU D 7 5.229 -4.831 5.289 1.00 0.00 C ATOM 2733 CG LEU D 7 4.535 -5.974 4.540 1.00 0.00 C ATOM 2734 CD1 LEU D 7 3.849 -5.447 3.289 1.00 0.00 C ATOM 2735 CD2 LEU D 7 5.534 -7.071 4.183 1.00 0.00 C ATOM 0 H LEU D 7 4.344 -2.149 5.751 1.00 0.00 H new ATOM 0 HA LEU D 7 3.609 -4.852 6.694 1.00 0.00 H new ATOM 0 HB2 LEU D 7 5.536 -4.077 4.565 1.00 0.00 H new ATOM 0 HB3 LEU D 7 6.137 -5.219 5.751 1.00 0.00 H new ATOM 0 HG LEU D 7 3.778 -6.405 5.195 1.00 0.00 H new ATOM 0 HD11 LEU D 7 3.361 -6.270 2.768 1.00 0.00 H new ATOM 0 HD12 LEU D 7 3.104 -4.702 3.569 1.00 0.00 H new ATOM 0 HD13 LEU D 7 4.590 -4.991 2.633 1.00 0.00 H new ATOM 0 HD21 LEU D 7 5.020 -7.872 3.652 1.00 0.00 H new ATOM 0 HD22 LEU D 7 6.316 -6.658 3.547 1.00 0.00 H new ATOM 0 HD23 LEU D 7 5.980 -7.468 5.095 1.00 0.00 H new ATOM 2950 N ASP D 22 7.054 -8.246 7.741 1.00 0.00 N ATOM 2951 CA ASP D 22 8.312 -7.569 8.035 1.00 0.00 C ATOM 2952 C ASP D 22 8.818 -6.786 6.833 1.00 0.00 C ATOM 2953 O ASP D 22 8.664 -7.200 5.687 1.00 0.00 O ATOM 2954 CB ASP D 22 9.365 -8.591 8.465 1.00 0.00 C ATOM 2955 CG ASP D 22 10.653 -7.939 8.923 1.00 0.00 C ATOM 2956 OD1 ASP D 22 10.584 -6.993 9.735 1.00 0.00 O ATOM 2957 OD2 ASP D 22 11.733 -8.377 8.471 1.00 0.00 O ATOM 0 HA ASP D 22 8.131 -6.864 8.846 1.00 0.00 H new ATOM 0 HB2 ASP D 22 8.964 -9.203 9.273 1.00 0.00 H new ATOM 0 HB3 ASP D 22 9.577 -9.262 7.632 1.00 0.00 H new ATOM 2962 N ALA D 23 9.429 -5.647 7.116 1.00 0.00 N ATOM 2963 CA ALA D 23 9.973 -4.783 6.081 1.00 0.00 C ATOM 2964 C ALA D 23 10.864 -5.568 5.115 1.00 0.00 C ATOM 2965 O ALA D 23 10.791 -5.387 3.898 1.00 0.00 O ATOM 2966 CB ALA D 23 10.740 -3.654 6.742 1.00 0.00 C ATOM 0 H ALA D 23 9.561 -5.297 8.065 1.00 0.00 H new ATOM 0 HA ALA D 23 9.157 -4.368 5.490 1.00 0.00 H new ATOM 0 HB1 ALA D 23 11.154 -2.998 5.976 1.00 0.00 H new ATOM 0 HB2 ALA D 23 10.068 -3.084 7.384 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.551 -4.067 7.342 1.00 0.00 H new ATOM 2972 N ALA D 24 11.697 -6.445 5.668 1.00 0.00 N ATOM 2973 CA ALA D 24 12.596 -7.268 4.866 1.00 0.00 C ATOM 2974 C ALA D 24 11.815 -8.280 4.028 1.00 0.00 C ATOM 2975 O ALA D 24 12.252 -8.675 2.947 1.00 0.00 O ATOM 2976 CB ALA D 24 13.597 -7.982 5.761 1.00 0.00 C ATOM 0 H ALA D 24 11.768 -6.604 6.673 1.00 0.00 H new ATOM 0 HA ALA D 24 13.138 -6.612 4.184 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.261 -8.592 5.149 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.184 -7.246 6.310 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.064 -8.620 6.466 1.00 0.00 H new ATOM 2982 N THR D 25 10.658 -8.698 4.538 1.00 0.00 N ATOM 2983 CA THR D 25 9.816 -9.666 3.838 1.00 0.00 C ATOM 2984 C THR D 25 9.354 -9.100 2.500 1.00 0.00 C ATOM 2985 O THR D 25 9.311 -9.807 1.494 1.00 0.00 O ATOM 2986 CB THR D 25 8.603 -10.029 4.707 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.017 -10.647 5.912 1.00 0.00 O ATOM 2988 CG2 THR D 25 7.621 -10.962 4.033 1.00 0.00 C ATOM 0 H THR D 25 10.283 -8.382 5.432 1.00 0.00 H new ATOM 0 HA THR D 25 10.400 -10.567 3.649 1.00 0.00 H new ATOM 0 HB THR D 25 8.100 -9.080 4.893 1.00 0.00 H new ATOM 0 HG1 THR D 25 8.230 -10.869 6.453 1.00 0.00 H new ATOM 0 HG21 THR D 25 6.793 -11.170 4.711 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.238 -10.494 3.126 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.123 -11.895 3.776 1.00 0.00 H new ATOM 2996 N PHE D 26 9.030 -7.813 2.496 1.00 0.00 N ATOM 2997 CA PHE D 26 8.592 -7.143 1.281 1.00 0.00 C ATOM 2998 C PHE D 26 9.737 -7.036 0.278 1.00 0.00 C ATOM 2999 O PHE D 26 9.589 -7.382 -0.894 1.00 0.00 O ATOM 3000 CB PHE D 26 8.046 -5.751 1.600 1.00 0.00 C ATOM 3001 CG PHE D 26 7.151 -5.203 0.525 1.00 0.00 C ATOM 3002 CD1 PHE D 26 5.889 -5.739 0.319 1.00 0.00 C ATOM 3003 CD2 PHE D 26 7.571 -4.157 -0.281 1.00 0.00 C ATOM 3004 CE1 PHE D 26 5.063 -5.242 -0.670 1.00 0.00 C ATOM 3005 CE2 PHE D 26 6.747 -3.655 -1.272 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.493 -4.198 -1.466 1.00 0.00 C ATOM 0 H PHE D 26 9.063 -7.214 3.321 1.00 0.00 H new ATOM 0 HA PHE D 26 7.795 -7.740 0.837 1.00 0.00 H new ATOM 0 HB2 PHE D 26 7.493 -5.792 2.538 1.00 0.00 H new ATOM 0 HB3 PHE D 26 8.881 -5.067 1.752 1.00 0.00 H new ATOM 0 HD1 PHE D 26 5.548 -6.555 0.939 1.00 0.00 H new ATOM 0 HD2 PHE D 26 8.552 -3.729 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE D 26 4.082 -5.669 -0.821 1.00 0.00 H new ATOM 0 HE2 PHE D 26 7.085 -2.839 -1.894 1.00 0.00 H new ATOM 0 HZ PHE D 26 4.848 -3.807 -2.239 1.00 0.00 H new ATOM 3016 N GLU D 27 10.877 -6.538 0.747 1.00 0.00 N ATOM 3017 CA GLU D 27 12.055 -6.359 -0.100 1.00 0.00 C ATOM 3018 C GLU D 27 12.449 -7.647 -0.825 1.00 0.00 C ATOM 3019 O GLU D 27 12.605 -7.656 -2.046 1.00 0.00 O ATOM 3020 CB GLU D 27 13.233 -5.858 0.737 1.00 0.00 C ATOM 3021 CG GLU D 27 13.026 -4.464 1.307 1.00 0.00 C ATOM 3022 CD GLU D 27 14.209 -3.988 2.125 1.00 0.00 C ATOM 3023 OE1 GLU D 27 15.346 -4.411 1.828 1.00 0.00 O ATOM 3024 OE2 GLU D 27 13.999 -3.191 3.064 1.00 0.00 O ATOM 0 H GLU D 27 11.012 -6.249 1.716 1.00 0.00 H new ATOM 0 HA GLU D 27 11.797 -5.619 -0.858 1.00 0.00 H new ATOM 0 HB2 GLU D 27 13.407 -6.554 1.557 1.00 0.00 H new ATOM 0 HB3 GLU D 27 14.132 -5.860 0.121 1.00 0.00 H new ATOM 0 HG2 GLU D 27 12.848 -3.764 0.490 1.00 0.00 H new ATOM 0 HG3 GLU D 27 12.132 -4.459 1.931 1.00 0.00 H new ATOM 3031 N LYS D 28 12.647 -8.718 -0.066 1.00 0.00 N ATOM 3032 CA LYS D 28 13.067 -9.994 -0.640 1.00 0.00 C ATOM 3033 C LYS D 28 11.999 -10.604 -1.548 1.00 0.00 C ATOM 3034 O LYS D 28 12.295 -10.994 -2.678 1.00 0.00 O ATOM 3035 CB LYS D 28 13.417 -10.981 0.476 1.00 0.00 C ATOM 3036 CG LYS D 28 14.025 -12.279 -0.029 1.00 0.00 C ATOM 3037 CD LYS D 28 14.789 -13.001 1.070 1.00 0.00 C ATOM 3038 CE LYS D 28 16.170 -12.402 1.275 1.00 0.00 C ATOM 3039 NZ LYS D 28 17.162 -12.945 0.306 1.00 0.00 N ATOM 0 H LYS D 28 12.524 -8.730 0.947 1.00 0.00 H new ATOM 0 HA LYS D 28 13.946 -9.796 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS D 28 14.116 -10.506 1.164 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.515 -11.209 1.044 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.236 -12.927 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS D 28 14.696 -12.068 -0.862 1.00 0.00 H new ATOM 0 HD2 LYS D 28 14.226 -12.947 2.002 1.00 0.00 H new ATOM 0 HD3 LYS D 28 14.883 -14.057 0.816 1.00 0.00 H new ATOM 0 HE2 LYS D 28 16.115 -11.319 1.169 1.00 0.00 H new ATOM 0 HE3 LYS D 28 16.507 -12.606 2.291 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 18.091 -12.511 0.480 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 17.234 -13.976 0.424 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 16.855 -12.728 -0.664 1.00 0.00 H new ATOM 3053 N VAL D 29 10.768 -10.696 -1.060 1.00 0.00 N ATOM 3054 CA VAL D 29 9.680 -11.273 -1.846 1.00 0.00 C ATOM 3055 C VAL D 29 9.387 -10.465 -3.108 1.00 0.00 C ATOM 3056 O VAL D 29 9.156 -11.033 -4.173 1.00 0.00 O ATOM 3057 CB VAL D 29 8.382 -11.389 -1.016 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.267 -12.038 -1.833 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.640 -12.173 0.262 1.00 0.00 C ATOM 0 H VAL D 29 10.497 -10.381 -0.129 1.00 0.00 H new ATOM 0 HA VAL D 29 10.017 -12.268 -2.137 1.00 0.00 H new ATOM 0 HB VAL D 29 8.057 -10.384 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.364 -12.108 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL D 29 7.064 -11.433 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.576 -13.037 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.717 -12.247 0.836 1.00 0.00 H new ATOM 0 HG22 VAL D 29 8.991 -13.174 0.010 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.397 -11.661 0.856 1.00 0.00 H new ATOM 3069 N VAL D 30 9.384 -9.142 -2.982 1.00 0.00 N ATOM 3070 CA VAL D 30 9.098 -8.278 -4.121 1.00 0.00 C ATOM 3071 C VAL D 30 10.228 -8.288 -5.143 1.00 0.00 C ATOM 3072 O VAL D 30 9.979 -8.415 -6.342 1.00 0.00 O ATOM 3073 CB VAL D 30 8.794 -6.827 -3.680 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.483 -5.939 -4.880 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.635 -6.808 -2.695 1.00 0.00 C ATOM 0 H VAL D 30 9.575 -8.648 -2.110 1.00 0.00 H new ATOM 0 HA VAL D 30 8.206 -8.686 -4.597 1.00 0.00 H new ATOM 0 HB VAL D 30 9.683 -6.430 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL D 30 8.274 -4.925 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL D 30 9.340 -5.925 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.613 -6.331 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.431 -5.781 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.748 -7.229 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL D 30 7.894 -7.400 -1.817 1.00 0.00 H new ATOM 3085 N LYS D 31 11.471 -8.169 -4.684 1.00 0.00 N ATOM 3086 CA LYS D 31 12.607 -8.181 -5.593 1.00 0.00 C ATOM 3087 C LYS D 31 12.700 -9.522 -6.308 1.00 0.00 C ATOM 3088 O LYS D 31 12.884 -9.581 -7.523 1.00 0.00 O ATOM 3089 CB LYS D 31 13.898 -7.907 -4.818 1.00 0.00 C ATOM 3090 CG LYS D 31 15.092 -7.602 -5.705 1.00 0.00 C ATOM 3091 CD LYS D 31 16.367 -7.467 -4.886 1.00 0.00 C ATOM 3092 CE LYS D 31 17.592 -7.346 -5.777 1.00 0.00 C ATOM 3093 NZ LYS D 31 18.798 -6.929 -5.010 1.00 0.00 N ATOM 0 H LYS D 31 11.713 -8.064 -3.699 1.00 0.00 H new ATOM 0 HA LYS D 31 12.467 -7.399 -6.339 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.734 -7.067 -4.143 1.00 0.00 H new ATOM 0 HB3 LYS D 31 14.129 -8.773 -4.198 1.00 0.00 H new ATOM 0 HG2 LYS D 31 15.213 -8.396 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS D 31 14.912 -6.679 -6.257 1.00 0.00 H new ATOM 0 HD2 LYS D 31 16.296 -6.590 -4.243 1.00 0.00 H new ATOM 0 HD3 LYS D 31 16.475 -8.333 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS D 31 17.784 -8.303 -6.262 1.00 0.00 H new ATOM 0 HE3 LYS D 31 17.396 -6.621 -6.567 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 19.612 -6.858 -5.654 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 18.625 -6.004 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 19.001 -7.633 -4.272 1.00 0.00 H new ATOM 3107 N GLN D 32 12.565 -10.597 -5.544 1.00 0.00 N ATOM 3108 CA GLN D 32 12.627 -11.941 -6.101 1.00 0.00 C ATOM 3109 C GLN D 32 11.498 -12.178 -7.100 1.00 0.00 C ATOM 3110 O GLN D 32 11.729 -12.685 -8.197 1.00 0.00 O ATOM 3111 CB GLN D 32 12.563 -12.983 -4.984 1.00 0.00 C ATOM 3112 CG GLN D 32 12.813 -14.404 -5.462 1.00 0.00 C ATOM 3113 CD GLN D 32 13.384 -15.292 -4.375 1.00 0.00 C ATOM 3114 OE1 GLN D 32 12.795 -16.312 -4.017 1.00 0.00 O ATOM 3115 NE2 GLN D 32 14.539 -14.908 -3.842 1.00 0.00 N ATOM 0 H GLN D 32 12.412 -10.565 -4.536 1.00 0.00 H new ATOM 0 HA GLN D 32 13.576 -12.040 -6.629 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.299 -12.731 -4.221 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.583 -12.935 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN D 32 11.878 -14.832 -5.822 1.00 0.00 H new ATOM 0 HG3 GLN D 32 13.500 -14.383 -6.308 1.00 0.00 H new ATOM 0 HE21 GLN D 32 14.993 -14.055 -4.169 1.00 0.00 H new ATOM 0 HE22 GLN D 32 14.972 -15.466 -3.106 1.00 0.00 H new ATOM 3124 N PHE D 33 10.277 -11.804 -6.723 1.00 0.00 N ATOM 3125 CA PHE D 33 9.116 -11.967 -7.592 1.00 0.00 C ATOM 3126 C PHE D 33 9.185 -11.067 -8.828 1.00 0.00 C ATOM 3127 O PHE D 33 8.924 -11.518 -9.945 1.00 0.00 O ATOM 3128 CB PHE D 33 7.833 -11.737 -6.767 1.00 0.00 C ATOM 3129 CG PHE D 33 6.614 -11.337 -7.555 1.00 0.00 C ATOM 3130 CD1 PHE D 33 6.117 -12.127 -8.578 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.952 -10.160 -7.239 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.989 -11.740 -9.282 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.826 -9.771 -7.936 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.344 -10.558 -8.959 1.00 0.00 C ATOM 0 H PHE D 33 10.067 -11.384 -5.817 1.00 0.00 H new ATOM 0 HA PHE D 33 9.105 -12.986 -7.979 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.606 -12.652 -6.220 1.00 0.00 H new ATOM 0 HB3 PHE D 33 8.034 -10.964 -6.025 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.613 -13.053 -8.829 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.323 -9.539 -6.437 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.613 -12.360 -10.082 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.323 -8.850 -7.680 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.465 -10.254 -9.508 1.00 0.00 H new ATOM 3144 N PHE D 34 9.531 -9.800 -8.631 1.00 0.00 N ATOM 3145 CA PHE D 34 9.620 -8.860 -9.743 1.00 0.00 C ATOM 3146 C PHE D 34 10.868 -9.067 -10.602 1.00 0.00 C ATOM 3147 O PHE D 34 10.817 -8.890 -11.818 1.00 0.00 O ATOM 3148 CB PHE D 34 9.504 -7.418 -9.245 1.00 0.00 C ATOM 3149 CG PHE D 34 8.072 -7.024 -9.020 1.00 0.00 C ATOM 3150 CD1 PHE D 34 7.405 -7.397 -7.866 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.379 -6.314 -9.990 1.00 0.00 C ATOM 3152 CE1 PHE D 34 6.075 -7.072 -7.681 1.00 0.00 C ATOM 3153 CE2 PHE D 34 6.051 -5.979 -9.808 1.00 0.00 C ATOM 3154 CZ PHE D 34 5.397 -6.362 -8.654 1.00 0.00 C ATOM 0 H PHE D 34 9.753 -9.402 -7.719 1.00 0.00 H new ATOM 0 HA PHE D 34 8.773 -9.063 -10.399 1.00 0.00 H new ATOM 0 HB2 PHE D 34 10.063 -7.307 -8.316 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.958 -6.744 -9.972 1.00 0.00 H new ATOM 0 HD1 PHE D 34 7.931 -7.949 -7.101 1.00 0.00 H new ATOM 0 HD2 PHE D 34 7.884 -6.020 -10.898 1.00 0.00 H new ATOM 0 HE1 PHE D 34 5.566 -7.372 -6.777 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.525 -5.419 -10.567 1.00 0.00 H new ATOM 0 HZ PHE D 34 4.357 -6.107 -8.512 1.00 0.00 H new ATOM 3164 N ASN D 35 11.982 -9.460 -9.986 1.00 0.00 N ATOM 3165 CA ASN D 35 13.213 -9.704 -10.742 1.00 0.00 C ATOM 3166 C ASN D 35 12.976 -10.721 -11.861 1.00 0.00 C ATOM 3167 O ASN D 35 13.601 -10.659 -12.919 1.00 0.00 O ATOM 3168 CB ASN D 35 14.341 -10.183 -9.817 1.00 0.00 C ATOM 3169 CG ASN D 35 15.066 -9.050 -9.098 1.00 0.00 C ATOM 3170 OD1 ASN D 35 14.376 -7.945 -8.829 1.00 0.00 O flip ATOM 3171 ND2 ASN D 35 16.253 -9.171 -8.791 1.00 0.00 N flip ATOM 0 H ASN D 35 12.060 -9.615 -8.981 1.00 0.00 H new ATOM 0 HA ASN D 35 13.517 -8.760 -11.194 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.926 -10.865 -9.075 1.00 0.00 H new ATOM 0 HB3 ASN D 35 15.064 -10.751 -10.403 1.00 0.00 H new ATOM 0 HD21 ASN D 35 16.752 -10.033 -9.013 1.00 0.00 H new ATOM 0 HD22 ASN D 35 16.737 -8.410 -8.315 1.00 0.00 H new ATOM 3178 N ASP D 36 12.059 -11.649 -11.614 1.00 0.00 N ATOM 3179 CA ASP D 36 11.706 -12.686 -12.582 1.00 0.00 C ATOM 3180 C ASP D 36 11.121 -12.094 -13.871 1.00 0.00 C ATOM 3181 O ASP D 36 11.059 -12.772 -14.897 1.00 0.00 O ATOM 3182 CB ASP D 36 10.713 -13.670 -11.963 1.00 0.00 C ATOM 3183 CG ASP D 36 11.274 -14.359 -10.733 1.00 0.00 C ATOM 3184 OD1 ASP D 36 12.512 -14.491 -10.638 1.00 0.00 O ATOM 3185 OD2 ASP D 36 10.473 -14.767 -9.865 1.00 0.00 O ATOM 0 H ASP D 36 11.538 -11.706 -10.739 1.00 0.00 H new ATOM 0 HA ASP D 36 12.624 -13.211 -12.846 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.799 -13.140 -11.694 1.00 0.00 H new ATOM 0 HB3 ASP D 36 10.440 -14.421 -12.704 1.00 0.00 H new ATOM 3190 N ASN D 37 10.680 -10.836 -13.814 1.00 0.00 N ATOM 3191 CA ASN D 37 10.092 -10.183 -14.985 1.00 0.00 C ATOM 3192 C ASN D 37 11.047 -9.161 -15.608 1.00 0.00 C ATOM 3193 O ASN D 37 10.916 -8.825 -16.786 1.00 0.00 O ATOM 3194 CB ASN D 37 8.758 -9.518 -14.628 1.00 0.00 C ATOM 3195 CG ASN D 37 8.920 -8.330 -13.702 1.00 0.00 C ATOM 3196 OD1 ASN D 37 9.626 -7.372 -14.016 1.00 0.00 O ATOM 3197 ND2 ASN D 37 8.256 -8.385 -12.554 1.00 0.00 N ATOM 0 H ASN D 37 10.718 -10.253 -12.978 1.00 0.00 H new ATOM 0 HA ASN D 37 9.908 -10.960 -15.727 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.263 -9.194 -15.543 1.00 0.00 H new ATOM 0 HB3 ASN D 37 8.106 -10.253 -14.157 1.00 0.00 H new ATOM 0 HD21 ASN D 37 8.319 -7.613 -11.891 1.00 0.00 H new ATOM 0 HD22 ASN D 37 7.682 -9.199 -12.335 1.00 0.00 H new ATOM 3204 N GLY D 38 12.015 -8.679 -14.827 1.00 0.00 N ATOM 3205 CA GLY D 38 12.974 -7.717 -15.353 1.00 0.00 C ATOM 3206 C GLY D 38 13.170 -6.487 -14.477 1.00 0.00 C ATOM 3207 O GLY D 38 13.744 -5.496 -14.927 1.00 0.00 O ATOM 0 H GLY D 38 12.152 -8.934 -13.849 1.00 0.00 H new ATOM 0 HA2 GLY D 38 13.936 -8.214 -15.483 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.645 -7.396 -16.341 1.00 0.00 H new ATOM 3211 N VAL D 39 12.709 -6.540 -13.230 1.00 0.00 N ATOM 3212 CA VAL D 39 12.863 -5.410 -12.319 1.00 0.00 C ATOM 3213 C VAL D 39 14.182 -5.511 -11.561 1.00 0.00 C ATOM 3214 O VAL D 39 14.620 -6.605 -11.206 1.00 0.00 O ATOM 3215 CB VAL D 39 11.701 -5.328 -11.309 1.00 0.00 C ATOM 3216 CG1 VAL D 39 11.803 -4.062 -10.469 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.364 -5.390 -12.032 1.00 0.00 C ATOM 0 H VAL D 39 12.230 -7.346 -12.830 1.00 0.00 H new ATOM 0 HA VAL D 39 12.856 -4.505 -12.926 1.00 0.00 H new ATOM 0 HB VAL D 39 11.769 -6.184 -10.637 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.973 -4.026 -9.764 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.745 -4.064 -9.921 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.764 -3.189 -11.120 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.554 -5.331 -11.305 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.288 -4.555 -12.729 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.291 -6.329 -12.581 1.00 0.00 H new ATOM 3227 N ASP D 40 14.818 -4.368 -11.321 1.00 0.00 N ATOM 3228 CA ASP D 40 16.091 -4.343 -10.611 1.00 0.00 C ATOM 3229 C ASP D 40 16.321 -2.989 -9.942 1.00 0.00 C ATOM 3230 O ASP D 40 15.497 -2.082 -10.055 1.00 0.00 O ATOM 3231 CB ASP D 40 17.240 -4.646 -11.573 1.00 0.00 C ATOM 3232 CG ASP D 40 17.276 -6.102 -11.992 1.00 0.00 C ATOM 3233 OD1 ASP D 40 17.930 -6.905 -11.293 1.00 0.00 O ATOM 3234 OD2 ASP D 40 16.651 -6.441 -13.019 1.00 0.00 O ATOM 0 H ASP D 40 14.474 -3.451 -11.607 1.00 0.00 H new ATOM 0 HA ASP D 40 16.058 -5.109 -9.836 1.00 0.00 H new ATOM 0 HB2 ASP D 40 17.143 -4.018 -12.459 1.00 0.00 H new ATOM 0 HB3 ASP D 40 18.186 -4.384 -11.099 1.00 0.00 H new ATOM 3239 N GLY D 41 17.448 -2.866 -9.246 1.00 0.00 N ATOM 3240 CA GLY D 41 17.773 -1.625 -8.566 1.00 0.00 C ATOM 3241 C GLY D 41 17.929 -1.813 -7.068 1.00 0.00 C ATOM 3242 O GLY D 41 18.413 -2.848 -6.614 1.00 0.00 O ATOM 0 H GLY D 41 18.143 -3.605 -9.141 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.697 -1.219 -8.977 1.00 0.00 H new ATOM 0 HA3 GLY D 41 16.990 -0.892 -8.758 1.00 0.00 H new ATOM 3246 N GLU D 42 17.518 -0.808 -6.300 1.00 0.00 N ATOM 3247 CA GLU D 42 17.616 -0.870 -4.846 1.00 0.00 C ATOM 3248 C GLU D 42 16.489 -0.079 -4.189 1.00 0.00 C ATOM 3249 O GLU D 42 15.926 0.835 -4.790 1.00 0.00 O ATOM 3250 CB GLU D 42 18.972 -0.333 -4.381 1.00 0.00 C ATOM 3251 CG GLU D 42 20.141 -1.227 -4.757 1.00 0.00 C ATOM 3252 CD GLU D 42 21.454 -0.746 -4.169 1.00 0.00 C ATOM 3253 OE1 GLU D 42 21.424 -0.098 -3.102 1.00 0.00 O ATOM 3254 OE2 GLU D 42 22.511 -1.020 -4.775 1.00 0.00 O ATOM 0 H GLU D 42 17.115 0.057 -6.660 1.00 0.00 H new ATOM 0 HA GLU D 42 17.525 -1.914 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU D 42 19.129 0.656 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU D 42 18.953 -0.210 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU D 42 19.943 -2.242 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU D 42 20.227 -1.269 -5.843 1.00 0.00 H new ATOM 3261 N TRP D 43 16.168 -0.438 -2.950 1.00 0.00 N ATOM 3262 CA TRP D 43 15.108 0.235 -2.207 1.00 0.00 C ATOM 3263 C TRP D 43 15.553 1.611 -1.743 1.00 0.00 C ATOM 3264 O TRP D 43 16.499 1.748 -0.967 1.00 0.00 O ATOM 3265 CB TRP D 43 14.673 -0.613 -1.011 1.00 0.00 C ATOM 3266 CG TRP D 43 13.910 -1.841 -1.408 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.408 -3.104 -1.555 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.513 -1.922 -1.711 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.405 -3.965 -1.931 1.00 0.00 N ATOM 3270 CE2 TRP D 43 12.233 -3.263 -2.033 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.470 -0.991 -1.740 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 10.955 -3.695 -2.379 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 10.202 -1.420 -2.085 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.954 -2.762 -2.400 1.00 0.00 C ATOM 0 H TRP D 43 16.627 -1.192 -2.439 1.00 0.00 H new ATOM 0 HA TRP D 43 14.257 0.362 -2.876 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.555 -0.908 -0.442 1.00 0.00 H new ATOM 0 HB3 TRP D 43 14.055 -0.007 -0.349 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.439 -3.385 -1.399 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.515 -4.964 -2.106 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.652 0.045 -1.497 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.761 -4.729 -2.622 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.390 -0.709 -2.112 1.00 0.00 H new ATOM 0 HH2 TRP D 43 8.952 -3.067 -2.665 1.00 0.00 H new ATOM 3285 N THR D 44 14.853 2.630 -2.224 1.00 0.00 N ATOM 3286 CA THR D 44 15.156 4.004 -1.865 1.00 0.00 C ATOM 3287 C THR D 44 14.050 4.584 -0.997 1.00 0.00 C ATOM 3288 O THR D 44 12.866 4.333 -1.224 1.00 0.00 O ATOM 3289 CB THR D 44 15.334 4.857 -3.121 1.00 0.00 C ATOM 3290 OG1 THR D 44 14.134 4.901 -3.871 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.430 4.354 -4.035 1.00 0.00 C ATOM 0 H THR D 44 14.068 2.527 -2.867 1.00 0.00 H new ATOM 0 HA THR D 44 16.087 4.012 -1.299 1.00 0.00 H new ATOM 0 HB THR D 44 15.610 5.848 -2.761 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.444 4.376 -3.415 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.504 5.004 -4.907 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.380 4.356 -3.500 1.00 0.00 H new ATOM 0 HG23 THR D 44 16.197 3.339 -4.358 1.00 0.00 H new ATOM 3299 N TYR D 45 14.448 5.370 -0.013 1.00 0.00 N ATOM 3300 CA TYR D 45 13.500 6.006 0.893 1.00 0.00 C ATOM 3301 C TYR D 45 12.702 7.089 0.174 1.00 0.00 C ATOM 3302 O TYR D 45 13.226 7.786 -0.695 1.00 0.00 O ATOM 3303 CB TYR D 45 14.227 6.603 2.098 1.00 0.00 C ATOM 3304 CG TYR D 45 14.562 5.586 3.166 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.607 5.188 4.091 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.830 5.026 3.248 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.905 4.259 5.070 1.00 0.00 C ATOM 3308 CE2 TYR D 45 16.136 4.095 4.224 1.00 0.00 C ATOM 3309 CZ TYR D 45 15.170 3.716 5.132 1.00 0.00 C ATOM 3310 OH TYR D 45 15.471 2.791 6.105 1.00 0.00 O ATOM 0 H TYR D 45 15.426 5.586 0.182 1.00 0.00 H new ATOM 0 HA TYR D 45 12.806 5.242 1.244 1.00 0.00 H new ATOM 0 HB2 TYR D 45 15.147 7.078 1.758 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.607 7.386 2.535 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.614 5.611 4.045 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.589 5.322 2.539 1.00 0.00 H new ATOM 0 HE1 TYR D 45 13.150 3.960 5.783 1.00 0.00 H new ATOM 0 HE2 TYR D 45 17.126 3.667 4.275 1.00 0.00 H new ATOM 0 HH TYR D 45 16.404 2.507 6.009 1.00 0.00 H new ATOM 3320 N ASP D 46 11.431 7.220 0.539 1.00 0.00 N ATOM 3321 CA ASP D 46 10.557 8.214 -0.074 1.00 0.00 C ATOM 3322 C ASP D 46 10.919 9.621 0.392 1.00 0.00 C ATOM 3323 O ASP D 46 11.552 9.796 1.433 1.00 0.00 O ATOM 3324 CB ASP D 46 9.097 7.926 0.280 1.00 0.00 C ATOM 3325 CG ASP D 46 8.501 6.815 -0.561 1.00 0.00 C ATOM 3326 OD1 ASP D 46 8.951 5.659 -0.422 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.583 7.102 -1.358 1.00 0.00 O ATOM 0 H ASP D 46 10.983 6.650 1.257 1.00 0.00 H new ATOM 0 HA ASP D 46 10.690 8.155 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP D 46 9.029 7.655 1.334 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.509 8.834 0.146 1.00 0.00 H new ATOM 3332 N ASP D 47 10.511 10.619 -0.384 1.00 0.00 N ATOM 3333 CA ASP D 47 10.790 12.010 -0.046 1.00 0.00 C ATOM 3334 C ASP D 47 10.043 12.411 1.222 1.00 0.00 C ATOM 3335 O ASP D 47 8.837 12.193 1.340 1.00 0.00 O ATOM 3336 CB ASP D 47 10.391 12.930 -1.202 1.00 0.00 C ATOM 3337 CG ASP D 47 11.013 14.307 -1.085 1.00 0.00 C ATOM 3338 OD1 ASP D 47 12.148 14.490 -1.572 1.00 0.00 O ATOM 3339 OD2 ASP D 47 10.364 15.204 -0.506 1.00 0.00 O ATOM 0 H ASP D 47 9.987 10.491 -1.250 1.00 0.00 H new ATOM 0 HA ASP D 47 11.861 12.112 0.131 1.00 0.00 H new ATOM 0 HB2 ASP D 47 10.694 12.476 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP D 47 9.306 13.026 -1.229 1.00 0.00 H new ATOM 3344 N ALA D 48 10.771 12.986 2.175 1.00 0.00 N ATOM 3345 CA ALA D 48 10.186 13.407 3.445 1.00 0.00 C ATOM 3346 C ALA D 48 9.004 14.352 3.242 1.00 0.00 C ATOM 3347 O ALA D 48 9.016 15.200 2.350 1.00 0.00 O ATOM 3348 CB ALA D 48 11.243 14.066 4.317 1.00 0.00 C ATOM 0 H ALA D 48 11.770 13.172 2.092 1.00 0.00 H new ATOM 0 HA ALA D 48 9.810 12.515 3.946 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.795 14.376 5.261 1.00 0.00 H new ATOM 0 HB2 ALA D 48 12.047 13.357 4.513 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.646 14.939 3.803 1.00 0.00 H new ATOM 3354 N THR D 49 7.986 14.196 4.084 1.00 0.00 N ATOM 3355 CA THR D 49 6.790 15.028 4.016 1.00 0.00 C ATOM 3356 C THR D 49 6.361 15.464 5.414 1.00 0.00 C ATOM 3357 O THR D 49 6.701 14.817 6.405 1.00 0.00 O ATOM 3358 CB THR D 49 5.652 14.270 3.329 1.00 0.00 C ATOM 3359 OG1 THR D 49 6.122 13.601 2.173 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.506 15.164 2.909 1.00 0.00 C ATOM 0 H THR D 49 7.967 13.496 4.826 1.00 0.00 H new ATOM 0 HA THR D 49 7.023 15.917 3.430 1.00 0.00 H new ATOM 0 HB THR D 49 5.285 13.562 4.073 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.380 13.121 1.749 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.733 14.564 2.429 1.00 0.00 H new ATOM 0 HG22 THR D 49 4.089 15.657 3.787 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.869 15.916 2.209 1.00 0.00 H new ATOM 3368 N LYS D 50 5.623 16.568 5.493 1.00 0.00 N ATOM 3369 CA LYS D 50 5.163 17.086 6.778 1.00 0.00 C ATOM 3370 C LYS D 50 3.645 17.242 6.806 1.00 0.00 C ATOM 3371 O LYS D 50 3.069 17.991 6.016 1.00 0.00 O ATOM 3372 CB LYS D 50 5.828 18.432 7.072 1.00 0.00 C ATOM 3373 CG LYS D 50 7.251 18.308 7.591 1.00 0.00 C ATOM 3374 CD LYS D 50 8.021 19.606 7.417 1.00 0.00 C ATOM 3375 CE LYS D 50 9.521 19.363 7.380 1.00 0.00 C ATOM 3376 NZ LYS D 50 10.273 20.589 6.991 1.00 0.00 N ATOM 0 H LYS D 50 5.332 17.119 4.686 1.00 0.00 H new ATOM 0 HA LYS D 50 5.444 16.366 7.547 1.00 0.00 H new ATOM 0 HB2 LYS D 50 5.833 19.032 6.162 1.00 0.00 H new ATOM 0 HB3 LYS D 50 5.229 18.971 7.805 1.00 0.00 H new ATOM 0 HG2 LYS D 50 7.232 18.033 8.646 1.00 0.00 H new ATOM 0 HG3 LYS D 50 7.764 17.505 7.061 1.00 0.00 H new ATOM 0 HD2 LYS D 50 7.708 20.095 6.495 1.00 0.00 H new ATOM 0 HD3 LYS D 50 7.781 20.285 8.235 1.00 0.00 H new ATOM 0 HE2 LYS D 50 9.858 19.026 8.360 1.00 0.00 H new ATOM 0 HE3 LYS D 50 9.742 18.562 6.674 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 10.675 20.462 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 9.629 21.405 6.988 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 11.041 20.756 7.672 1.00 0.00 H new ATOM 3390 N THR D 51 3.006 16.532 7.732 1.00 0.00 N ATOM 3391 CA THR D 51 1.556 16.585 7.886 1.00 0.00 C ATOM 3392 C THR D 51 1.182 17.380 9.137 1.00 0.00 C ATOM 3393 O THR D 51 1.738 17.156 10.213 1.00 0.00 O ATOM 3394 CB THR D 51 0.984 15.161 7.952 1.00 0.00 C ATOM 3395 OG1 THR D 51 1.158 14.499 6.712 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.493 15.104 8.291 1.00 0.00 C ATOM 0 H THR D 51 3.474 15.909 8.391 1.00 0.00 H new ATOM 0 HA THR D 51 1.125 17.092 7.022 1.00 0.00 H new ATOM 0 HB THR D 51 1.537 14.673 8.755 1.00 0.00 H new ATOM 0 HG1 THR D 51 1.080 13.531 6.844 1.00 0.00 H new ATOM 0 HG21 THR D 51 -0.820 14.065 8.318 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.661 15.563 9.265 1.00 0.00 H new ATOM 0 HG23 THR D 51 -1.061 15.643 7.533 1.00 0.00 H new ATOM 3404 N PHE D 52 0.240 18.307 8.989 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.206 19.133 10.108 1.00 0.00 C ATOM 3406 C PHE D 52 -1.208 18.384 10.981 1.00 0.00 C ATOM 3407 O PHE D 52 -2.296 18.030 10.527 1.00 0.00 O ATOM 3408 CB PHE D 52 -0.833 20.432 9.597 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.186 21.397 10.694 1.00 0.00 C ATOM 3410 CD1 PHE D 52 -0.231 22.256 11.214 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.474 21.445 11.202 1.00 0.00 C ATOM 3412 CE1 PHE D 52 -0.554 23.144 12.222 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -2.803 22.331 12.211 1.00 0.00 C ATOM 3414 CZ PHE D 52 -1.842 23.181 12.722 1.00 0.00 C ATOM 0 H PHE D 52 -0.230 18.505 8.106 1.00 0.00 H new ATOM 0 HA PHE D 52 0.668 19.371 10.714 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.140 20.915 8.908 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -1.733 20.194 9.030 1.00 0.00 H new ATOM 0 HD1 PHE D 52 0.777 22.231 10.827 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.229 20.783 10.805 1.00 0.00 H new ATOM 0 HE1 PHE D 52 0.199 23.809 12.619 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -3.810 22.358 12.599 1.00 0.00 H new ATOM 0 HZ PHE D 52 -2.096 23.873 13.511 1.00 0.00 H new ATOM 3424 N THR D 53 -0.844 18.156 12.240 1.00 0.00 N ATOM 3425 CA THR D 53 -1.724 17.462 13.173 1.00 0.00 C ATOM 3426 C THR D 53 -2.591 18.461 13.932 1.00 0.00 C ATOM 3427 O THR D 53 -2.078 19.382 14.570 1.00 0.00 O ATOM 3428 CB THR D 53 -0.908 16.620 14.157 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.113 15.673 13.466 1.00 0.00 O ATOM 3430 CG2 THR D 53 -1.760 15.860 15.151 1.00 0.00 C ATOM 0 H THR D 53 0.052 18.441 12.636 1.00 0.00 H new ATOM 0 HA THR D 53 -2.373 16.799 12.601 1.00 0.00 H new ATOM 0 HB THR D 53 -0.292 17.335 14.703 1.00 0.00 H new ATOM 0 HG1 THR D 53 0.471 16.138 12.831 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.117 15.285 15.817 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.352 16.564 15.736 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.426 15.183 14.616 1.00 0.00 H new ATOM 3438 N VAL D 54 -3.906 18.281 13.856 1.00 0.00 N ATOM 3439 CA VAL D 54 -4.837 19.174 14.535 1.00 0.00 C ATOM 3440 C VAL D 54 -4.804 18.959 16.043 1.00 0.00 C ATOM 3441 O VAL D 54 -4.417 17.893 16.522 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.284 18.982 14.041 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.165 20.125 14.522 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.330 18.869 12.523 1.00 0.00 C ATOM 0 H VAL D 54 -4.350 17.527 13.332 1.00 0.00 H new ATOM 0 HA VAL D 54 -4.515 20.189 14.300 1.00 0.00 H new ATOM 0 HB VAL D 54 -6.667 18.051 14.459 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.184 19.974 14.165 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.163 20.152 15.612 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -6.780 21.069 14.135 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.362 18.734 12.199 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -5.926 19.778 12.078 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -5.735 18.014 12.204 1.00 0.00 H new ATOM 3454 N THR D 55 -5.216 19.980 16.785 1.00 0.00 N ATOM 3455 CA THR D 55 -5.239 19.908 18.241 1.00 0.00 C ATOM 3456 C THR D 55 -6.346 20.788 18.809 1.00 0.00 C ATOM 3457 O THR D 55 -7.338 20.291 19.341 1.00 0.00 O ATOM 3458 CB THR D 55 -3.884 20.331 18.813 1.00 0.00 C ATOM 3459 OG1 THR D 55 -2.844 19.531 18.281 1.00 0.00 O ATOM 3460 CG2 THR D 55 -3.813 20.232 20.322 1.00 0.00 C ATOM 0 H THR D 55 -5.539 20.868 16.402 1.00 0.00 H new ATOM 0 HA THR D 55 -5.439 18.876 18.529 1.00 0.00 H new ATOM 0 HB THR D 55 -3.764 21.376 18.528 1.00 0.00 H new ATOM 0 HG1 THR D 55 -2.013 19.706 18.770 1.00 0.00 H new ATOM 0 HG21 THR D 55 -2.826 20.546 20.661 1.00 0.00 H new ATOM 0 HG22 THR D 55 -4.572 20.877 20.765 1.00 0.00 H new ATOM 0 HG23 THR D 55 -3.990 19.201 20.628 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.165 22.095 18.688 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.144 23.057 19.182 1.00 0.00 C ATOM 3470 C GLU D 56 -7.359 22.895 20.685 1.00 0.00 C ATOM 3471 O GLU D 56 -6.715 23.635 21.456 1.00 0.00 O ATOM 3472 CB GLU D 56 -8.474 22.890 18.444 1.00 0.00 C ATOM 3473 CG GLU D 56 -8.333 22.912 16.930 1.00 0.00 C ATOM 3474 CD GLU D 56 -9.644 22.639 16.219 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -10.659 23.272 16.579 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -9.656 21.792 15.301 1.00 0.00 O ATOM 3477 OXT GLU D 56 -8.173 22.031 21.076 1.00 0.00 O ATOM 0 H GLU D 56 -5.346 22.517 18.250 1.00 0.00 H new ATOM 0 HA GLU D 56 -6.756 24.058 18.995 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -8.932 21.948 18.745 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -9.153 23.686 18.750 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -7.950 23.884 16.618 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -7.597 22.167 16.626 1.00 0.00 H new