USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=46 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 -5:sc= 1.94 USER MOD Set 1.2: D 53 THR OG1 : rot 65:sc= 0.831 USER MOD Set 2.1: A 3 TYR OH : rot -49:sc= -3.33! USER MOD Set 2.2: D 50 LYS NZ :NH3+ -151:sc= 0.0122 (180deg=0) USER MOD Set 3.1: C 2 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.37) USER MOD Set 3.2: D 4 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Set 4.1: C 4 LYS NZ :NH3+ 173:sc= 0 (180deg=0) USER MOD Set 4.2: D 2 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.34) USER MOD Set 5.1: B 3 TYR OH : rot -48:sc= -3.29! USER MOD Set 5.2: C 50 LYS NZ :NH3+ -153:sc= 0.0448 (180deg=0) USER MOD Set 6.1: B 53 THR OG1 : rot 65:sc= 0.815 USER MOD Set 6.2: D 44 THR OG1 : rot 4:sc= 1.85 USER MOD Set 7.1: B 50 LYS NZ :NH3+ -150:sc= 0.0103 (180deg=0) USER MOD Set 7.2: C 3 TYR OH : rot -67:sc= -3.25! USER MOD Set 8.1: A 2 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.33) USER MOD Set 8.2: B 4 LYS NZ :NH3+ 171:sc= 0 (180deg=0) USER MOD Set 9.1: A 53 THR OG1 : rot 68:sc= 0.937 USER MOD Set 9.2: C 44 THR OG1 : rot 8:sc= 1.92 USER MOD Set10.1: A 50 LYS NZ :NH3+ -151:sc= 0.0592 (180deg=0) USER MOD Set10.2: D 3 TYR OH : rot -49:sc= -3.19! USER MOD Set11.1: A 44 THR OG1 : rot 5:sc= 1.84 USER MOD Set11.2: C 53 THR OG1 : rot 64:sc= 0.912 USER MOD Set12.1: A 4 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Set12.2: B 2 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.33) USER MOD Single : A 1 MET CE :methyl 175:sc= -1.8 (180deg=-2.05) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.18 (180deg=1.05) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.168 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 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -3.73 K(o=-3.7,f=-1.8) USER MOD Single : A 37 ASN : amide:sc= -7.01! C(o=-7!,f=-13!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.82 USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.495 USER MOD Single : B 1 MET CE :methyl 171:sc= -2.16 (180deg=-2.36) USER MOD Single : B 1 MET N :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.172 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 X(o=0,f=0) USER MOD Single : B 35 ASN : amide:sc= -3.82 K(o=-3.8,f=-1.8) USER MOD Single : B 37 ASN : amide:sc= -7.21! C(o=-7.2!,f=-13!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 THR OG1 : rot 180:sc= -1.88 USER MOD Single : B 55 THR OG1 : rot -170:sc= -0.382 USER MOD Single : C 1 MET CE :methyl 173:sc= -1.89 (180deg=-2.15) USER MOD Single : C 1 MET N :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : C 25 THR OG1 : rot 20:sc= -0.17 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 X(o=0,f=0) USER MOD Single : C 35 ASN : amide:sc= -3.75 K(o=-3.8,f=-1.8) USER MOD Single : C 37 ASN : amide:sc= -7.27! C(o=-7.3!,f=-13!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 51 THR OG1 : rot 180:sc= -1.92 USER MOD Single : C 55 THR OG1 : rot -170:sc= -0.423 USER MOD Single : D 1 MET CE :methyl 172:sc= -1.92 (180deg=-2.1) USER MOD Single : D 1 MET N :NH3+ 178:sc= 1.23 (180deg=1.12) USER MOD Single : D 25 THR OG1 : rot 180:sc= -0.178 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 X(o=0,f=0) USER MOD Single : D 35 ASN : amide:sc= -3.93 K(o=-3.9,f=-1.7) USER MOD Single : D 37 ASN : amide:sc= -7.28! C(o=-7.3!,f=-13!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 49 THR OG1 : rot 180:sc= 0 USER MOD Single : D 51 THR OG1 : rot 180:sc= -1.85 USER MOD Single : D 55 THR OG1 : rot -170:sc= -0.342 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.386 20.505 -0.565 1.00 0.00 N ATOM 2 CA MET A 1 9.656 19.853 0.553 1.00 0.00 C ATOM 3 C MET A 1 8.178 19.684 0.223 1.00 0.00 C ATOM 4 O MET A 1 7.503 20.642 -0.151 1.00 0.00 O ATOM 5 CB MET A 1 9.822 20.709 1.810 1.00 0.00 C ATOM 6 CG MET A 1 11.071 20.377 2.612 1.00 0.00 C ATOM 7 SD MET A 1 10.742 19.236 3.969 1.00 0.00 S ATOM 8 CE MET A 1 9.861 17.934 3.110 1.00 0.00 C ATOM 0 H1 MET A 1 11.406 20.500 -0.363 1.00 0.00 H new ATOM 0 H2 MET A 1 10.205 19.985 -1.448 1.00 0.00 H new ATOM 0 H3 MET A 1 10.058 21.487 -0.668 1.00 0.00 H new ATOM 0 HA MET A 1 10.071 18.859 0.718 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.854 21.760 1.522 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.947 20.579 2.446 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.819 19.941 1.949 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.497 21.297 3.011 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.666 17.111 3.798 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.915 18.323 2.732 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.465 17.575 2.277 1.00 0.00 H new ATOM 20 N GLN A 2 7.681 18.461 0.375 1.00 0.00 N ATOM 21 CA GLN A 2 6.280 18.165 0.099 1.00 0.00 C ATOM 22 C GLN A 2 5.434 18.388 1.347 1.00 0.00 C ATOM 23 O GLN A 2 5.685 17.790 2.393 1.00 0.00 O ATOM 24 CB GLN A 2 6.123 16.724 -0.389 1.00 0.00 C ATOM 25 CG GLN A 2 4.815 16.469 -1.120 1.00 0.00 C ATOM 26 CD GLN A 2 4.754 15.087 -1.742 1.00 0.00 C ATOM 27 OE1 GLN A 2 5.301 14.854 -2.819 1.00 0.00 O ATOM 28 NE2 GLN A 2 4.085 14.162 -1.064 1.00 0.00 N ATOM 0 H GLN A 2 8.228 17.659 0.688 1.00 0.00 H new ATOM 0 HA GLN A 2 5.935 18.839 -0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.953 16.481 -1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.190 16.050 0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.985 16.587 -0.423 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.686 17.220 -1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.647 14.399 -0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.009 13.214 -1.433 1.00 0.00 H new ATOM 37 N TYR A 3 4.438 19.262 1.234 1.00 0.00 N ATOM 38 CA TYR A 3 3.567 19.572 2.362 1.00 0.00 C ATOM 39 C TYR A 3 2.169 18.990 2.178 1.00 0.00 C ATOM 40 O TYR A 3 1.554 19.125 1.119 1.00 0.00 O ATOM 41 CB TYR A 3 3.482 21.083 2.565 1.00 0.00 C ATOM 42 CG TYR A 3 4.667 21.657 3.306 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.720 21.630 4.695 1.00 0.00 C ATOM 44 CD2 TYR A 3 5.735 22.222 2.620 1.00 0.00 C ATOM 45 CE1 TYR A 3 5.803 22.150 5.378 1.00 0.00 C ATOM 46 CE2 TYR A 3 6.822 22.743 3.297 1.00 0.00 C ATOM 47 CZ TYR A 3 6.851 22.705 4.675 1.00 0.00 C ATOM 48 OH TYR A 3 7.931 23.224 5.351 1.00 0.00 O ATOM 0 H TYR A 3 4.215 19.766 0.376 1.00 0.00 H new ATOM 0 HA TYR A 3 4.004 19.111 3.248 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.401 21.569 1.593 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.571 21.317 3.115 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.901 21.195 5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.716 22.255 1.541 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.828 22.122 6.457 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.645 23.178 2.749 1.00 0.00 H new ATOM 0 HH TYR A 3 7.616 23.820 6.062 1.00 0.00 H new ATOM 58 N LYS A 4 1.683 18.342 3.231 1.00 0.00 N ATOM 59 CA LYS A 4 0.360 17.727 3.220 1.00 0.00 C ATOM 60 C LYS A 4 -0.628 18.530 4.062 1.00 0.00 C ATOM 61 O LYS A 4 -0.354 18.859 5.216 1.00 0.00 O ATOM 62 CB LYS A 4 0.439 16.288 3.737 1.00 0.00 C ATOM 63 CG LYS A 4 0.656 15.258 2.642 1.00 0.00 C ATOM 64 CD LYS A 4 0.278 13.861 3.106 1.00 0.00 C ATOM 65 CE LYS A 4 1.019 12.792 2.320 1.00 0.00 C ATOM 66 NZ LYS A 4 0.468 11.432 2.574 1.00 0.00 N ATOM 0 H LYS A 4 2.189 18.228 4.109 1.00 0.00 H new ATOM 0 HA LYS A 4 0.003 17.718 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.252 16.215 4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.482 16.051 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.062 15.525 1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.701 15.269 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.504 13.756 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.797 13.718 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.956 13.016 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.075 12.811 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.882 10.758 1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.702 11.138 3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.565 11.449 2.457 1.00 0.00 H new ATOM 80 N VAL A 5 -1.780 18.836 3.474 1.00 0.00 N ATOM 81 CA VAL A 5 -2.818 19.594 4.166 1.00 0.00 C ATOM 82 C VAL A 5 -4.201 19.072 3.795 1.00 0.00 C ATOM 83 O VAL A 5 -4.549 18.997 2.617 1.00 0.00 O ATOM 84 CB VAL A 5 -2.740 21.097 3.836 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.687 21.889 4.724 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.313 21.604 3.983 1.00 0.00 C ATOM 0 H VAL A 5 -2.019 18.571 2.519 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.651 19.464 5.235 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.046 21.238 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.618 22.948 4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.709 21.545 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.414 21.742 5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.278 22.667 3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.976 21.450 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.661 21.059 3.301 1.00 0.00 H new ATOM 96 N ILE A 6 -4.988 18.707 4.803 1.00 0.00 N ATOM 97 CA ILE A 6 -6.331 18.187 4.572 1.00 0.00 C ATOM 98 C ILE A 6 -7.395 19.269 4.752 1.00 0.00 C ATOM 99 O ILE A 6 -7.570 19.802 5.848 1.00 0.00 O ATOM 100 CB ILE A 6 -6.653 17.016 5.524 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.496 16.015 5.555 1.00 0.00 C ATOM 102 CG2 ILE A 6 -7.941 16.328 5.098 1.00 0.00 C ATOM 103 CD1 ILE A 6 -5.581 15.031 6.702 1.00 0.00 C ATOM 0 H ILE A 6 -4.719 18.762 5.785 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.349 17.834 3.541 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.788 17.415 6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.477 15.464 4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.555 16.561 5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.156 15.504 5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.762 17.044 5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.829 15.942 4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.730 14.352 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.569 15.573 7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.505 14.459 6.623 1.00 0.00 H new ATOM 115 N LEU A 7 -8.117 19.576 3.677 1.00 0.00 N ATOM 116 CA LEU A 7 -9.180 20.578 3.729 1.00 0.00 C ATOM 117 C LEU A 7 -10.541 19.912 3.546 1.00 0.00 C ATOM 118 O LEU A 7 -10.786 19.246 2.539 1.00 0.00 O ATOM 119 CB LEU A 7 -8.967 21.657 2.658 1.00 0.00 C ATOM 120 CG LEU A 7 -8.258 22.926 3.149 1.00 0.00 C ATOM 121 CD1 LEU A 7 -6.770 22.860 2.835 1.00 0.00 C ATOM 122 CD2 LEU A 7 -8.882 24.173 2.528 1.00 0.00 C ATOM 0 H LEU A 7 -7.986 19.147 2.761 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.150 21.058 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.387 21.228 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.937 21.937 2.247 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.382 22.988 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.283 23.768 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.331 21.995 3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.629 22.770 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.362 25.059 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.796 24.121 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.934 24.230 2.806 1.00 0.00 H new ATOM 337 N ASP A 22 -12.343 24.981 2.816 1.00 0.00 N ATOM 338 CA ASP A 22 -12.916 24.455 1.582 1.00 0.00 C ATOM 339 C ASP A 22 -11.837 24.159 0.554 1.00 0.00 C ATOM 340 O ASP A 22 -10.820 24.845 0.481 1.00 0.00 O ATOM 341 CB ASP A 22 -13.922 25.451 1.005 1.00 0.00 C ATOM 342 CG ASP A 22 -14.846 24.819 -0.017 1.00 0.00 C ATOM 343 OD1 ASP A 22 -15.096 23.599 0.084 1.00 0.00 O ATOM 344 OD2 ASP A 22 -15.320 25.543 -0.917 1.00 0.00 O ATOM 0 HA ASP A 22 -13.425 23.521 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.517 25.872 1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.384 26.278 0.541 1.00 0.00 H new ATOM 349 N ALA A 23 -12.073 23.127 -0.235 1.00 0.00 N ATOM 350 CA ALA A 23 -11.138 22.719 -1.271 1.00 0.00 C ATOM 351 C ALA A 23 -10.744 23.906 -2.156 1.00 0.00 C ATOM 352 O ALA A 23 -9.572 24.085 -2.489 1.00 0.00 O ATOM 353 CB ALA A 23 -11.771 21.609 -2.086 1.00 0.00 C ATOM 0 H ALA A 23 -12.912 22.550 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.221 22.350 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.081 21.292 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.996 20.763 -1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.693 21.972 -2.541 1.00 0.00 H new ATOM 359 N ALA A 24 -11.735 24.715 -2.520 1.00 0.00 N ATOM 360 CA ALA A 24 -11.508 25.893 -3.351 1.00 0.00 C ATOM 361 C ALA A 24 -10.731 26.966 -2.589 1.00 0.00 C ATOM 362 O ALA A 24 -9.984 27.744 -3.183 1.00 0.00 O ATOM 363 CB ALA A 24 -12.834 26.450 -3.846 1.00 0.00 C ATOM 0 H ALA A 24 -12.709 24.575 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.908 25.591 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.651 27.329 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.350 25.692 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.452 26.729 -2.993 1.00 0.00 H new ATOM 369 N THR A 25 -10.917 27.005 -1.271 1.00 0.00 N ATOM 370 CA THR A 25 -10.238 27.985 -0.426 1.00 0.00 C ATOM 371 C THR A 25 -8.726 27.799 -0.506 1.00 0.00 C ATOM 372 O THR A 25 -7.968 28.769 -0.528 1.00 0.00 O ATOM 373 CB THR A 25 -10.723 27.849 1.027 1.00 0.00 C ATOM 374 OG1 THR A 25 -12.079 28.241 1.140 1.00 0.00 O ATOM 375 CG2 THR A 25 -9.932 28.667 2.028 1.00 0.00 C ATOM 0 H THR A 25 -11.533 26.369 -0.765 1.00 0.00 H new ATOM 0 HA THR A 25 -10.478 28.986 -0.783 1.00 0.00 H new ATOM 0 HB THR A 25 -10.583 26.795 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.370 28.146 2.071 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.340 28.513 3.027 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.888 28.354 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.998 29.723 1.768 1.00 0.00 H new ATOM 383 N PHE A 26 -8.298 26.547 -0.572 1.00 0.00 N ATOM 384 CA PHE A 26 -6.881 26.235 -0.676 1.00 0.00 C ATOM 385 C PHE A 26 -6.322 26.671 -2.028 1.00 0.00 C ATOM 386 O PHE A 26 -5.276 27.315 -2.103 1.00 0.00 O ATOM 387 CB PHE A 26 -6.636 24.741 -0.468 1.00 0.00 C ATOM 388 CG PHE A 26 -5.217 24.424 -0.095 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.692 24.855 1.112 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.406 23.701 -0.954 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.384 24.571 1.456 1.00 0.00 C ATOM 392 CE2 PHE A 26 -3.097 23.414 -0.616 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.586 23.849 0.592 1.00 0.00 C ATOM 0 H PHE A 26 -8.911 25.732 -0.555 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.363 26.787 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.301 24.375 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.893 24.206 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.312 25.420 1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.801 23.358 -1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.987 24.914 2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.474 22.851 -1.295 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.564 23.624 0.859 1.00 0.00 H new ATOM 403 N GLU A 27 -7.023 26.300 -3.095 1.00 0.00 N ATOM 404 CA GLU A 27 -6.600 26.629 -4.453 1.00 0.00 C ATOM 405 C GLU A 27 -6.364 28.129 -4.640 1.00 0.00 C ATOM 406 O GLU A 27 -5.308 28.544 -5.117 1.00 0.00 O ATOM 407 CB GLU A 27 -7.643 26.142 -5.460 1.00 0.00 C ATOM 408 CG GLU A 27 -7.801 24.632 -5.491 1.00 0.00 C ATOM 409 CD GLU A 27 -8.658 24.158 -6.649 1.00 0.00 C ATOM 410 OE1 GLU A 27 -8.155 24.140 -7.791 1.00 0.00 O ATOM 411 OE2 GLU A 27 -9.833 23.806 -6.413 1.00 0.00 O ATOM 0 H GLU A 27 -7.892 25.768 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.651 26.122 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.605 26.595 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.365 26.490 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.817 24.169 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.246 24.298 -4.554 1.00 0.00 H new ATOM 418 N LYS A 28 -7.364 28.933 -4.297 1.00 0.00 N ATOM 419 CA LYS A 28 -7.273 30.381 -4.465 1.00 0.00 C ATOM 420 C LYS A 28 -6.245 31.017 -3.529 1.00 0.00 C ATOM 421 O LYS A 28 -5.427 31.829 -3.962 1.00 0.00 O ATOM 422 CB LYS A 28 -8.643 31.023 -4.236 1.00 0.00 C ATOM 423 CG LYS A 28 -8.735 32.455 -4.735 1.00 0.00 C ATOM 424 CD LYS A 28 -9.950 33.168 -4.162 1.00 0.00 C ATOM 425 CE LYS A 28 -9.808 33.393 -2.665 1.00 0.00 C ATOM 426 NZ LYS A 28 -10.434 34.673 -2.234 1.00 0.00 N ATOM 0 H LYS A 28 -8.246 28.609 -3.901 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.941 30.563 -5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.404 30.423 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.871 31.003 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.830 32.996 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.789 32.459 -5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.082 34.126 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.846 32.579 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.270 32.564 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.751 33.397 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.316 34.789 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.977 35.466 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.448 34.659 -2.466 1.00 0.00 H new ATOM 440 N VAL A 29 -6.287 30.659 -2.249 1.00 0.00 N ATOM 441 CA VAL A 29 -5.355 31.216 -1.270 1.00 0.00 C ATOM 442 C VAL A 29 -3.905 30.849 -1.580 1.00 0.00 C ATOM 443 O VAL A 29 -3.008 31.681 -1.451 1.00 0.00 O ATOM 444 CB VAL A 29 -5.701 30.751 0.165 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.707 31.307 1.182 1.00 0.00 C ATOM 446 CG2 VAL A 29 -7.121 31.159 0.525 1.00 0.00 C ATOM 0 H VAL A 29 -6.953 29.989 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.459 32.299 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.632 29.664 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.977 30.963 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.703 30.959 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.730 32.396 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.350 30.825 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.213 32.244 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.820 30.701 -0.175 1.00 0.00 H new ATOM 456 N VAL A 30 -3.676 29.602 -1.974 1.00 0.00 N ATOM 457 CA VAL A 30 -2.324 29.140 -2.277 1.00 0.00 C ATOM 458 C VAL A 30 -1.781 29.777 -3.552 1.00 0.00 C ATOM 459 O VAL A 30 -0.640 30.242 -3.576 1.00 0.00 O ATOM 460 CB VAL A 30 -2.259 27.599 -2.385 1.00 0.00 C ATOM 461 CG1 VAL A 30 -0.842 27.126 -2.687 1.00 0.00 C ATOM 462 CG2 VAL A 30 -2.768 26.960 -1.102 1.00 0.00 C ATOM 0 H VAL A 30 -4.403 28.896 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.695 29.453 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.899 27.291 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.829 26.038 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.509 27.555 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.173 27.446 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.717 25.875 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.151 27.285 -0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.801 27.262 -0.930 1.00 0.00 H new ATOM 472 N LYS A 31 -2.587 29.813 -4.605 1.00 0.00 N ATOM 473 CA LYS A 31 -2.156 30.411 -5.862 1.00 0.00 C ATOM 474 C LYS A 31 -1.878 31.897 -5.679 1.00 0.00 C ATOM 475 O LYS A 31 -0.863 32.414 -6.143 1.00 0.00 O ATOM 476 CB LYS A 31 -3.226 30.206 -6.936 1.00 0.00 C ATOM 477 CG LYS A 31 -2.723 30.428 -8.353 1.00 0.00 C ATOM 478 CD LYS A 31 -3.812 30.155 -9.378 1.00 0.00 C ATOM 479 CE LYS A 31 -3.621 30.992 -10.631 1.00 0.00 C ATOM 480 NZ LYS A 31 -4.896 31.167 -11.381 1.00 0.00 N ATOM 0 H LYS A 31 -3.536 29.438 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.235 29.922 -6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.620 29.193 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.055 30.887 -6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.371 31.454 -8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.870 29.777 -8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.808 29.097 -9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.787 30.370 -8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.223 31.969 -10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.882 30.516 -11.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.724 31.744 -12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.263 30.236 -11.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.593 31.644 -10.774 1.00 0.00 H new ATOM 494 N GLN A 32 -2.785 32.578 -4.989 1.00 0.00 N ATOM 495 CA GLN A 32 -2.638 34.004 -4.734 1.00 0.00 C ATOM 496 C GLN A 32 -1.406 34.288 -3.879 1.00 0.00 C ATOM 497 O GLN A 32 -0.629 35.194 -4.178 1.00 0.00 O ATOM 498 CB GLN A 32 -3.887 34.552 -4.046 1.00 0.00 C ATOM 499 CG GLN A 32 -3.959 36.069 -4.038 1.00 0.00 C ATOM 500 CD GLN A 32 -4.710 36.622 -5.235 1.00 0.00 C ATOM 501 OE1 GLN A 32 -4.105 37.033 -6.226 1.00 0.00 O ATOM 502 NE2 GLN A 32 -6.035 36.635 -5.148 1.00 0.00 N ATOM 0 H GLN A 32 -3.631 32.164 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.510 34.504 -5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.771 34.157 -4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.914 34.190 -3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.447 36.401 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.948 36.477 -4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.494 36.284 -4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.593 36.996 -5.922 1.00 0.00 H new ATOM 511 N PHE A 33 -1.226 33.502 -2.819 1.00 0.00 N ATOM 512 CA PHE A 33 -0.086 33.652 -1.922 1.00 0.00 C ATOM 513 C PHE A 33 1.244 33.303 -2.597 1.00 0.00 C ATOM 514 O PHE A 33 2.218 34.048 -2.480 1.00 0.00 O ATOM 515 CB PHE A 33 -0.347 32.814 -0.653 1.00 0.00 C ATOM 516 CG PHE A 33 0.868 32.379 0.122 1.00 0.00 C ATOM 517 CD1 PHE A 33 1.786 33.290 0.619 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.067 31.031 0.371 1.00 0.00 C ATOM 519 CE1 PHE A 33 2.887 32.856 1.342 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.158 30.593 1.092 1.00 0.00 C ATOM 521 CZ PHE A 33 3.073 31.503 1.574 1.00 0.00 C ATOM 0 H PHE A 33 -1.863 32.748 -2.560 1.00 0.00 H new ATOM 0 HA PHE A 33 0.013 34.701 -1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.988 33.392 0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.906 31.924 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.643 34.346 0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.356 30.311 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.599 33.573 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.295 29.538 1.278 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.933 31.162 2.131 1.00 0.00 H new ATOM 531 N PHE A 34 1.287 32.175 -3.296 1.00 0.00 N ATOM 532 CA PHE A 34 2.510 31.750 -3.972 1.00 0.00 C ATOM 533 C PHE A 34 2.804 32.553 -5.242 1.00 0.00 C ATOM 534 O PHE A 34 3.966 32.791 -5.567 1.00 0.00 O ATOM 535 CB PHE A 34 2.485 30.245 -4.239 1.00 0.00 C ATOM 536 CG PHE A 34 2.888 29.463 -3.022 1.00 0.00 C ATOM 537 CD1 PHE A 34 1.949 29.080 -2.077 1.00 0.00 C ATOM 538 CD2 PHE A 34 4.220 29.149 -2.802 1.00 0.00 C ATOM 539 CE1 PHE A 34 2.333 28.402 -0.936 1.00 0.00 C ATOM 540 CE2 PHE A 34 4.608 28.464 -1.667 1.00 0.00 C ATOM 541 CZ PHE A 34 3.664 28.094 -0.731 1.00 0.00 C ATOM 0 H PHE A 34 0.496 31.541 -3.410 1.00 0.00 H new ATOM 0 HA PHE A 34 3.338 31.961 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.484 29.946 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.158 30.009 -5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.906 29.314 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.964 29.444 -3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.593 28.113 -0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.648 28.218 -1.512 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.965 27.564 0.161 1.00 0.00 H new ATOM 551 N ASN A 35 1.762 32.987 -5.946 1.00 0.00 N ATOM 552 CA ASN A 35 1.952 33.785 -7.161 1.00 0.00 C ATOM 553 C ASN A 35 2.782 35.040 -6.872 1.00 0.00 C ATOM 554 O ASN A 35 3.515 35.527 -7.734 1.00 0.00 O ATOM 555 CB ASN A 35 0.602 34.168 -7.782 1.00 0.00 C ATOM 556 CG ASN A 35 0.000 33.077 -8.660 1.00 0.00 C ATOM 557 OD1 ASN A 35 -0.720 33.374 -9.613 1.00 0.00 O ATOM 558 ND2 ASN A 35 0.287 31.811 -8.361 1.00 0.00 N ATOM 0 H ASN A 35 0.788 32.805 -5.703 1.00 0.00 H new ATOM 0 HA ASN A 35 2.499 33.172 -7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.100 34.408 -6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.729 35.072 -8.377 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.093 31.054 -8.929 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.887 31.599 -7.564 1.00 0.00 H new ATOM 565 N ASP A 36 2.661 35.548 -5.651 1.00 0.00 N ATOM 566 CA ASP A 36 3.390 36.739 -5.213 1.00 0.00 C ATOM 567 C ASP A 36 4.912 36.542 -5.259 1.00 0.00 C ATOM 568 O ASP A 36 5.667 37.513 -5.221 1.00 0.00 O ATOM 569 CB ASP A 36 2.958 37.130 -3.800 1.00 0.00 C ATOM 570 CG ASP A 36 1.558 37.713 -3.763 1.00 0.00 C ATOM 571 OD1 ASP A 36 1.128 38.291 -4.783 1.00 0.00 O ATOM 572 OD2 ASP A 36 0.893 37.593 -2.712 1.00 0.00 O ATOM 0 H ASP A 36 2.055 35.148 -4.934 1.00 0.00 H new ATOM 0 HA ASP A 36 3.144 37.541 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.000 36.253 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.662 37.857 -3.396 1.00 0.00 H new ATOM 577 N ASN A 37 5.357 35.287 -5.322 1.00 0.00 N ATOM 578 CA ASN A 37 6.792 34.992 -5.357 1.00 0.00 C ATOM 579 C ASN A 37 7.249 34.513 -6.736 1.00 0.00 C ATOM 580 O ASN A 37 8.434 34.594 -7.060 1.00 0.00 O ATOM 581 CB ASN A 37 7.161 33.958 -4.292 1.00 0.00 C ATOM 582 CG ASN A 37 6.503 32.617 -4.531 1.00 0.00 C ATOM 583 OD1 ASN A 37 6.796 31.934 -5.512 1.00 0.00 O ATOM 584 ND2 ASN A 37 5.609 32.233 -3.629 1.00 0.00 N ATOM 0 H ASN A 37 4.753 34.465 -5.350 1.00 0.00 H new ATOM 0 HA ASN A 37 7.312 35.925 -5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.243 33.830 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.869 34.332 -3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.132 31.337 -3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.399 32.833 -2.832 1.00 0.00 H new ATOM 591 N GLY A 38 6.313 34.029 -7.556 1.00 0.00 N ATOM 592 CA GLY A 38 6.673 33.571 -8.892 1.00 0.00 C ATOM 593 C GLY A 38 6.110 32.204 -9.257 1.00 0.00 C ATOM 594 O GLY A 38 6.549 31.599 -10.236 1.00 0.00 O ATOM 0 H GLY A 38 5.323 33.946 -7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.323 34.302 -9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.760 33.537 -8.972 1.00 0.00 H new ATOM 598 N VAL A 39 5.141 31.711 -8.491 1.00 0.00 N ATOM 599 CA VAL A 39 4.540 30.412 -8.776 1.00 0.00 C ATOM 600 C VAL A 39 3.347 30.563 -9.713 1.00 0.00 C ATOM 601 O VAL A 39 2.601 31.538 -9.629 1.00 0.00 O ATOM 602 CB VAL A 39 4.085 29.696 -7.490 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.644 28.272 -7.798 1.00 0.00 C ATOM 604 CG2 VAL A 39 5.200 29.705 -6.457 1.00 0.00 C ATOM 0 H VAL A 39 4.758 32.187 -7.674 1.00 0.00 H new ATOM 0 HA VAL A 39 5.309 29.807 -9.256 1.00 0.00 H new ATOM 0 HB VAL A 39 3.231 30.233 -7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.326 27.782 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.813 28.293 -8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.476 27.720 -8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.864 29.196 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.073 29.191 -6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.464 30.735 -6.216 1.00 0.00 H new ATOM 614 N ASP A 40 3.174 29.599 -10.612 1.00 0.00 N ATOM 615 CA ASP A 40 2.073 29.637 -11.567 1.00 0.00 C ATOM 616 C ASP A 40 1.688 28.230 -12.016 1.00 0.00 C ATOM 617 O ASP A 40 2.264 27.242 -11.559 1.00 0.00 O ATOM 618 CB ASP A 40 2.463 30.481 -12.780 1.00 0.00 C ATOM 619 CG ASP A 40 2.383 31.969 -12.500 1.00 0.00 C ATOM 620 OD1 ASP A 40 3.387 32.538 -12.023 1.00 0.00 O ATOM 621 OD2 ASP A 40 1.316 32.566 -12.759 1.00 0.00 O ATOM 0 H ASP A 40 3.781 28.784 -10.699 1.00 0.00 H new ATOM 0 HA ASP A 40 1.211 30.087 -11.075 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.478 30.226 -13.085 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.807 30.236 -13.616 1.00 0.00 H new ATOM 626 N GLY A 41 0.715 28.148 -12.919 1.00 0.00 N ATOM 627 CA GLY A 41 0.268 26.858 -13.420 1.00 0.00 C ATOM 628 C GLY A 41 -1.181 26.566 -13.077 1.00 0.00 C ATOM 629 O GLY A 41 -2.013 27.474 -13.042 1.00 0.00 O ATOM 0 H GLY A 41 0.227 28.952 -13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.393 26.830 -14.502 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.900 26.073 -13.005 1.00 0.00 H new ATOM 633 N GLU A 42 -1.484 25.295 -12.828 1.00 0.00 N ATOM 634 CA GLU A 42 -2.843 24.885 -12.490 1.00 0.00 C ATOM 635 C GLU A 42 -2.838 23.657 -11.584 1.00 0.00 C ATOM 636 O GLU A 42 -1.866 22.903 -11.546 1.00 0.00 O ATOM 637 CB GLU A 42 -3.637 24.590 -13.763 1.00 0.00 C ATOM 638 CG GLU A 42 -4.058 25.837 -14.521 1.00 0.00 C ATOM 639 CD GLU A 42 -3.049 26.247 -15.577 1.00 0.00 C ATOM 640 OE1 GLU A 42 -2.487 25.350 -16.239 1.00 0.00 O ATOM 641 OE2 GLU A 42 -2.820 27.464 -15.739 1.00 0.00 O ATOM 0 H GLU A 42 -0.807 24.532 -12.854 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.318 25.705 -11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.034 23.962 -14.419 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.526 24.017 -13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.023 25.661 -14.995 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.194 26.657 -13.816 1.00 0.00 H new ATOM 648 N TRP A 43 -3.933 23.466 -10.855 1.00 0.00 N ATOM 649 CA TRP A 43 -4.064 22.333 -9.946 1.00 0.00 C ATOM 650 C TRP A 43 -4.269 21.035 -10.710 1.00 0.00 C ATOM 651 O TRP A 43 -5.240 20.879 -11.451 1.00 0.00 O ATOM 652 CB TRP A 43 -5.220 22.559 -8.973 1.00 0.00 C ATOM 653 CG TRP A 43 -4.904 23.561 -7.905 1.00 0.00 C ATOM 654 CD1 TRP A 43 -5.217 24.889 -7.908 1.00 0.00 C ATOM 655 CD2 TRP A 43 -4.208 23.315 -6.677 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.760 25.485 -6.758 1.00 0.00 N ATOM 657 CE2 TRP A 43 -4.137 24.540 -5.985 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.639 22.180 -6.094 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.520 24.659 -4.743 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -3.028 22.299 -4.860 1.00 0.00 C ATOM 661 CH2 TRP A 43 -2.972 23.530 -4.196 1.00 0.00 C ATOM 0 H TRP A 43 -4.745 24.083 -10.876 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.136 22.251 -9.380 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.095 22.895 -9.530 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.484 21.610 -8.506 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.747 25.398 -8.700 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.867 26.471 -6.518 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.676 21.226 -6.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.475 25.608 -4.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.586 21.427 -4.400 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.487 23.590 -3.233 1.00 0.00 H new ATOM 672 N THR A 44 -3.346 20.103 -10.514 1.00 0.00 N ATOM 673 CA THR A 44 -3.412 18.809 -11.171 1.00 0.00 C ATOM 674 C THR A 44 -3.641 17.703 -10.150 1.00 0.00 C ATOM 675 O THR A 44 -3.064 17.711 -9.063 1.00 0.00 O ATOM 676 CB THR A 44 -2.129 18.542 -11.958 1.00 0.00 C ATOM 677 OG1 THR A 44 -1.013 18.478 -11.090 1.00 0.00 O ATOM 678 CG2 THR A 44 -1.840 19.597 -13.003 1.00 0.00 C ATOM 0 H THR A 44 -2.539 20.222 -9.901 1.00 0.00 H new ATOM 0 HA THR A 44 -4.252 18.821 -11.866 1.00 0.00 H new ATOM 0 HB THR A 44 -2.291 17.589 -12.462 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.317 18.546 -10.161 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.916 19.348 -13.525 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.662 19.636 -13.718 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.733 20.568 -12.520 1.00 0.00 H new ATOM 686 N TYR A 45 -4.478 16.749 -10.521 1.00 0.00 N ATOM 687 CA TYR A 45 -4.789 15.617 -9.655 1.00 0.00 C ATOM 688 C TYR A 45 -3.596 14.673 -9.543 1.00 0.00 C ATOM 689 O TYR A 45 -2.873 14.453 -10.516 1.00 0.00 O ATOM 690 CB TYR A 45 -6.010 14.862 -10.181 1.00 0.00 C ATOM 691 CG TYR A 45 -7.324 15.515 -9.816 1.00 0.00 C ATOM 692 CD1 TYR A 45 -7.892 15.318 -8.565 1.00 0.00 C ATOM 693 CD2 TYR A 45 -7.995 16.326 -10.722 1.00 0.00 C ATOM 694 CE1 TYR A 45 -9.092 15.912 -8.224 1.00 0.00 C ATOM 695 CE2 TYR A 45 -9.196 16.925 -10.389 1.00 0.00 C ATOM 696 CZ TYR A 45 -9.740 16.714 -9.140 1.00 0.00 C ATOM 697 OH TYR A 45 -10.935 17.308 -8.805 1.00 0.00 O ATOM 0 H TYR A 45 -4.958 16.733 -11.421 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.015 16.004 -8.661 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.940 14.785 -11.266 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.996 13.846 -9.788 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.387 14.690 -7.846 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.572 16.491 -11.702 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.520 15.749 -7.246 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.705 17.555 -11.104 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.259 17.841 -9.561 1.00 0.00 H new ATOM 707 N ASP A 46 -3.393 14.118 -8.352 1.00 0.00 N ATOM 708 CA ASP A 46 -2.285 13.199 -8.116 1.00 0.00 C ATOM 709 C ASP A 46 -2.542 11.854 -8.787 1.00 0.00 C ATOM 710 O ASP A 46 -3.681 11.516 -9.109 1.00 0.00 O ATOM 711 CB ASP A 46 -2.081 12.982 -6.614 1.00 0.00 C ATOM 712 CG ASP A 46 -1.830 14.274 -5.866 1.00 0.00 C ATOM 713 OD1 ASP A 46 -2.535 15.266 -6.140 1.00 0.00 O ATOM 714 OD2 ASP A 46 -0.928 14.292 -5.000 1.00 0.00 O ATOM 0 H ASP A 46 -3.981 14.289 -7.536 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.387 13.644 -8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.962 12.492 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.238 12.308 -6.460 1.00 0.00 H new ATOM 719 N ASP A 47 -1.476 11.088 -8.996 1.00 0.00 N ATOM 720 CA ASP A 47 -1.590 9.777 -9.625 1.00 0.00 C ATOM 721 C ASP A 47 -2.370 8.823 -8.725 1.00 0.00 C ATOM 722 O ASP A 47 -2.109 8.737 -7.525 1.00 0.00 O ATOM 723 CB ASP A 47 -0.203 9.203 -9.918 1.00 0.00 C ATOM 724 CG ASP A 47 -0.244 8.085 -10.940 1.00 0.00 C ATOM 725 OD1 ASP A 47 -1.130 8.115 -11.819 1.00 0.00 O ATOM 726 OD2 ASP A 47 0.611 7.177 -10.861 1.00 0.00 O ATOM 0 H ASP A 47 -0.525 11.352 -8.739 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.128 9.892 -10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.447 9.999 -10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.236 8.830 -8.993 1.00 0.00 H new ATOM 731 N ALA A 48 -3.338 8.124 -9.307 1.00 0.00 N ATOM 732 CA ALA A 48 -4.170 7.188 -8.557 1.00 0.00 C ATOM 733 C ALA A 48 -3.335 6.159 -7.802 1.00 0.00 C ATOM 734 O ALA A 48 -2.338 5.649 -8.315 1.00 0.00 O ATOM 735 CB ALA A 48 -5.146 6.491 -9.491 1.00 0.00 C ATOM 0 H ALA A 48 -3.567 8.188 -10.299 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.726 7.763 -7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.761 5.795 -8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.785 7.233 -9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.592 5.944 -10.254 1.00 0.00 H new ATOM 741 N THR A 49 -3.759 5.856 -6.579 1.00 0.00 N ATOM 742 CA THR A 49 -3.068 4.886 -5.736 1.00 0.00 C ATOM 743 C THR A 49 -4.062 3.898 -5.132 1.00 0.00 C ATOM 744 O THR A 49 -5.250 4.197 -5.014 1.00 0.00 O ATOM 745 CB THR A 49 -2.296 5.600 -4.626 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.562 6.693 -5.149 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.321 4.699 -3.899 1.00 0.00 C ATOM 0 H THR A 49 -4.584 6.272 -6.147 1.00 0.00 H new ATOM 0 HA THR A 49 -2.361 4.334 -6.356 1.00 0.00 H new ATOM 0 HB THR A 49 -3.054 5.935 -3.917 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.076 7.138 -4.423 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.807 5.269 -3.125 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.862 3.871 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.590 4.307 -4.607 1.00 0.00 H new ATOM 755 N LYS A 50 -3.574 2.719 -4.760 1.00 0.00 N ATOM 756 CA LYS A 50 -4.433 1.692 -4.177 1.00 0.00 C ATOM 757 C LYS A 50 -3.910 1.239 -2.816 1.00 0.00 C ATOM 758 O LYS A 50 -2.776 0.777 -2.694 1.00 0.00 O ATOM 759 CB LYS A 50 -4.532 0.492 -5.121 1.00 0.00 C ATOM 760 CG LYS A 50 -5.662 0.605 -6.131 1.00 0.00 C ATOM 761 CD LYS A 50 -5.547 -0.452 -7.217 1.00 0.00 C ATOM 762 CE LYS A 50 -5.984 0.089 -8.569 1.00 0.00 C ATOM 763 NZ LYS A 50 -5.675 -0.860 -9.673 1.00 0.00 N ATOM 0 H LYS A 50 -2.594 2.451 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.424 2.124 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.588 0.381 -5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.672 -0.414 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.619 0.501 -5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.649 1.596 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.516 -0.801 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.160 -1.314 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.055 0.288 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.486 1.040 -8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.514 -0.329 -10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.820 -1.403 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.474 -1.513 -9.804 1.00 0.00 H new ATOM 777 N THR A 51 -4.756 1.372 -1.798 1.00 0.00 N ATOM 778 CA THR A 51 -4.400 0.973 -0.440 1.00 0.00 C ATOM 779 C THR A 51 -5.184 -0.274 -0.034 1.00 0.00 C ATOM 780 O THR A 51 -6.410 -0.312 -0.153 1.00 0.00 O ATOM 781 CB THR A 51 -4.667 2.130 0.533 1.00 0.00 C ATOM 782 OG1 THR A 51 -3.810 3.221 0.251 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.468 1.763 1.990 1.00 0.00 C ATOM 0 H THR A 51 -5.697 1.755 -1.889 1.00 0.00 H new ATOM 0 HA THR A 51 -3.337 0.732 -0.405 1.00 0.00 H new ATOM 0 HB THR A 51 -5.715 2.389 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.993 3.951 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.675 2.631 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.147 0.953 2.257 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.439 1.440 2.147 1.00 0.00 H new ATOM 791 N PHE A 52 -4.474 -1.290 0.446 1.00 0.00 N ATOM 792 CA PHE A 52 -5.108 -2.535 0.872 1.00 0.00 C ATOM 793 C PHE A 52 -5.664 -2.416 2.286 1.00 0.00 C ATOM 794 O PHE A 52 -4.908 -2.286 3.249 1.00 0.00 O ATOM 795 CB PHE A 52 -4.112 -3.694 0.799 1.00 0.00 C ATOM 796 CG PHE A 52 -4.768 -5.044 0.774 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.647 -5.382 -0.243 1.00 0.00 C ATOM 798 CD2 PHE A 52 -4.507 -5.975 1.767 1.00 0.00 C ATOM 799 CE1 PHE A 52 -6.253 -6.623 -0.268 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.111 -7.218 1.747 1.00 0.00 C ATOM 801 CZ PHE A 52 -5.985 -7.543 0.727 1.00 0.00 C ATOM 0 H PHE A 52 -3.459 -1.277 0.550 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.938 -2.734 0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.498 -3.580 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.440 -3.641 1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.860 -4.667 -1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.824 -5.726 2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.936 -6.874 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.900 -7.934 2.527 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.457 -8.514 0.708 1.00 0.00 H new ATOM 811 N THR A 53 -6.985 -2.472 2.410 1.00 0.00 N ATOM 812 CA THR A 53 -7.630 -2.383 3.715 1.00 0.00 C ATOM 813 C THR A 53 -7.830 -3.777 4.305 1.00 0.00 C ATOM 814 O THR A 53 -8.435 -4.645 3.674 1.00 0.00 O ATOM 815 CB THR A 53 -8.973 -1.661 3.599 1.00 0.00 C ATOM 816 OG1 THR A 53 -8.799 -0.369 3.044 1.00 0.00 O ATOM 817 CG2 THR A 53 -9.682 -1.498 4.926 1.00 0.00 C ATOM 0 H THR A 53 -7.629 -2.578 1.626 1.00 0.00 H new ATOM 0 HA THR A 53 -6.984 -1.811 4.381 1.00 0.00 H new ATOM 0 HB THR A 53 -9.586 -2.291 2.954 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.517 -0.450 2.109 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.628 -0.978 4.772 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.874 -2.480 5.359 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.056 -0.918 5.604 1.00 0.00 H new ATOM 825 N VAL A 54 -7.314 -3.987 5.512 1.00 0.00 N ATOM 826 CA VAL A 54 -7.437 -5.282 6.173 1.00 0.00 C ATOM 827 C VAL A 54 -8.868 -5.533 6.630 1.00 0.00 C ATOM 828 O VAL A 54 -9.641 -4.596 6.829 1.00 0.00 O ATOM 829 CB VAL A 54 -6.499 -5.399 7.391 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.405 -6.845 7.853 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.117 -4.846 7.070 1.00 0.00 C ATOM 0 H VAL A 54 -6.810 -3.282 6.050 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.151 -6.031 5.435 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.919 -4.804 8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.739 -6.909 8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.396 -7.202 8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.013 -7.461 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.475 -4.940 7.946 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.685 -5.406 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.201 -3.795 6.793 1.00 0.00 H new ATOM 841 N THR A 55 -9.215 -6.805 6.797 1.00 0.00 N ATOM 842 CA THR A 55 -10.557 -7.175 7.232 1.00 0.00 C ATOM 843 C THR A 55 -10.529 -8.390 8.157 1.00 0.00 C ATOM 844 O THR A 55 -10.660 -8.256 9.374 1.00 0.00 O ATOM 845 CB THR A 55 -11.456 -7.443 6.021 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.479 -6.319 5.160 1.00 0.00 O ATOM 847 CG2 THR A 55 -12.887 -7.758 6.397 1.00 0.00 C ATOM 0 H THR A 55 -8.588 -7.594 6.638 1.00 0.00 H new ATOM 0 HA THR A 55 -10.968 -6.338 7.796 1.00 0.00 H new ATOM 0 HB THR A 55 -11.026 -8.314 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.174 -6.442 4.480 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.470 -7.937 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.910 -8.648 7.026 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.314 -6.916 6.943 1.00 0.00 H new ATOM 855 N GLU A 56 -10.357 -9.573 7.578 1.00 0.00 N ATOM 856 CA GLU A 56 -10.311 -10.810 8.355 1.00 0.00 C ATOM 857 C GLU A 56 -10.110 -12.019 7.447 1.00 0.00 C ATOM 858 O GLU A 56 -10.837 -12.127 6.437 1.00 0.00 O ATOM 859 CB GLU A 56 -11.598 -10.985 9.165 1.00 0.00 C ATOM 860 CG GLU A 56 -12.860 -10.721 8.363 1.00 0.00 C ATOM 861 CD GLU A 56 -14.060 -10.428 9.241 1.00 0.00 C ATOM 862 OE1 GLU A 56 -14.234 -11.127 10.263 1.00 0.00 O ATOM 863 OE2 GLU A 56 -14.828 -9.502 8.907 1.00 0.00 O ATOM 864 OXT GLU A 56 -9.227 -12.847 7.753 1.00 0.00 O ATOM 0 H GLU A 56 -10.247 -9.703 6.572 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.465 -10.741 9.038 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.634 -12.000 9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.573 -10.311 10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.690 -9.878 7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.076 -11.587 7.737 1.00 0.00 H new ATOM 872 N MET B 1 -10.256 16.714 1.973 1.00 0.00 N ATOM 873 CA MET B 1 -9.414 16.674 0.750 1.00 0.00 C ATOM 874 C MET B 1 -7.943 16.892 1.085 1.00 0.00 C ATOM 875 O MET B 1 -7.585 17.863 1.749 1.00 0.00 O ATOM 876 CB MET B 1 -9.902 17.756 -0.215 1.00 0.00 C ATOM 877 CG MET B 1 -11.020 17.293 -1.134 1.00 0.00 C ATOM 878 SD MET B 1 -10.414 16.746 -2.742 1.00 0.00 S ATOM 879 CE MET B 1 -9.137 15.592 -2.249 1.00 0.00 C ATOM 0 H1 MET B 1 -11.252 16.563 1.714 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.951 15.967 2.629 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.155 17.641 2.434 1.00 0.00 H new ATOM 0 HA MET B 1 -9.503 15.691 0.288 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.248 18.615 0.360 1.00 0.00 H new ATOM 0 HB3 MET B 1 -9.062 18.096 -0.821 1.00 0.00 H new ATOM 0 HG2 MET B 1 -11.562 16.477 -0.657 1.00 0.00 H new ATOM 0 HG3 MET B 1 -11.730 18.108 -1.275 1.00 0.00 H new ATOM 0 HE1 MET B 1 -8.778 15.051 -3.124 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.310 16.137 -1.795 1.00 0.00 H new ATOM 0 HE3 MET B 1 -9.545 14.884 -1.527 1.00 0.00 H new ATOM 891 N GLN B 2 -7.098 15.984 0.610 1.00 0.00 N ATOM 892 CA GLN B 2 -5.661 16.077 0.851 1.00 0.00 C ATOM 893 C GLN B 2 -4.988 16.901 -0.240 1.00 0.00 C ATOM 894 O GLN B 2 -5.088 16.580 -1.423 1.00 0.00 O ATOM 895 CB GLN B 2 -5.038 14.681 0.914 1.00 0.00 C ATOM 896 CG GLN B 2 -3.683 14.651 1.603 1.00 0.00 C ATOM 897 CD GLN B 2 -3.162 13.241 1.805 1.00 0.00 C ATOM 898 OE1 GLN B 2 -3.557 12.550 2.744 1.00 0.00 O ATOM 899 NE2 GLN B 2 -2.268 12.809 0.924 1.00 0.00 N ATOM 0 H GLN B 2 -7.382 15.176 0.056 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.507 16.574 1.809 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.719 14.012 1.440 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -4.930 14.294 -0.099 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -2.965 15.218 1.010 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.760 15.148 2.570 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -1.969 13.416 0.161 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -1.880 11.870 1.010 1.00 0.00 H new ATOM 908 N TYR B 3 -4.313 17.973 0.166 1.00 0.00 N ATOM 909 CA TYR B 3 -3.639 18.849 -0.784 1.00 0.00 C ATOM 910 C TYR B 3 -2.122 18.711 -0.706 1.00 0.00 C ATOM 911 O TYR B 3 -1.533 18.724 0.377 1.00 0.00 O ATOM 912 CB TYR B 3 -4.044 20.303 -0.541 1.00 0.00 C ATOM 913 CG TYR B 3 -5.384 20.661 -1.142 1.00 0.00 C ATOM 914 CD1 TYR B 3 -5.493 21.015 -2.481 1.00 0.00 C ATOM 915 CD2 TYR B 3 -6.540 20.640 -0.374 1.00 0.00 C ATOM 916 CE1 TYR B 3 -6.715 21.339 -3.036 1.00 0.00 C ATOM 917 CE2 TYR B 3 -7.767 20.961 -0.921 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.850 21.311 -2.253 1.00 0.00 C ATOM 919 OH TYR B 3 -9.069 21.632 -2.803 1.00 0.00 O ATOM 0 H TYR B 3 -4.219 18.254 1.142 1.00 0.00 H new ATOM 0 HA TYR B 3 -3.949 18.548 -1.785 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -4.074 20.490 0.532 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.280 20.960 -0.957 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.607 21.037 -3.098 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.479 20.368 0.669 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.782 21.613 -4.079 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.657 20.938 -0.309 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.988 22.465 -3.313 1.00 0.00 H new ATOM 929 N LYS B 4 -1.505 18.574 -1.876 1.00 0.00 N ATOM 930 CA LYS B 4 -0.057 18.429 -1.975 1.00 0.00 C ATOM 931 C LYS B 4 0.588 19.708 -2.504 1.00 0.00 C ATOM 932 O LYS B 4 0.171 20.251 -3.526 1.00 0.00 O ATOM 933 CB LYS B 4 0.296 17.250 -2.886 1.00 0.00 C ATOM 934 CG LYS B 4 0.465 15.935 -2.142 1.00 0.00 C ATOM 935 CD LYS B 4 1.234 14.920 -2.971 1.00 0.00 C ATOM 936 CE LYS B 4 0.896 13.495 -2.563 1.00 0.00 C ATOM 937 NZ LYS B 4 1.831 12.507 -3.167 1.00 0.00 N ATOM 0 H LYS B 4 -1.989 18.560 -2.774 1.00 0.00 H new ATOM 0 HA LYS B 4 0.332 18.238 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.486 17.135 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.219 17.477 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.990 16.112 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -0.515 15.531 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.003 15.062 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.304 15.089 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.931 13.411 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -0.124 13.263 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 1.664 11.570 -2.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.671 12.460 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.812 12.799 -2.982 1.00 0.00 H new ATOM 951 N VAL B 5 1.614 20.178 -1.800 1.00 0.00 N ATOM 952 CA VAL B 5 2.328 21.389 -2.196 1.00 0.00 C ATOM 953 C VAL B 5 3.821 21.245 -1.927 1.00 0.00 C ATOM 954 O VAL B 5 4.232 20.950 -0.804 1.00 0.00 O ATOM 955 CB VAL B 5 1.795 22.632 -1.457 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.398 23.900 -2.042 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.275 22.679 -1.518 1.00 0.00 C ATOM 0 H VAL B 5 1.970 19.738 -0.951 1.00 0.00 H new ATOM 0 HA VAL B 5 2.161 21.524 -3.265 1.00 0.00 H new ATOM 0 HB VAL B 5 2.092 22.565 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL B 5 2.010 24.767 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.483 23.867 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.134 23.976 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -0.083 23.563 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -0.046 22.722 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -0.136 21.785 -1.048 1.00 0.00 H new ATOM 967 N ILE B 6 4.634 21.452 -2.960 1.00 0.00 N ATOM 968 CA ILE B 6 6.082 21.338 -2.826 1.00 0.00 C ATOM 969 C ILE B 6 6.744 22.703 -2.642 1.00 0.00 C ATOM 970 O ILE B 6 6.692 23.552 -3.531 1.00 0.00 O ATOM 971 CB ILE B 6 6.707 20.648 -4.057 1.00 0.00 C ATOM 972 CG1 ILE B 6 5.919 19.388 -4.426 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.164 20.306 -3.789 1.00 0.00 C ATOM 974 CD1 ILE B 6 6.259 18.843 -5.797 1.00 0.00 C ATOM 0 H ILE B 6 4.315 21.699 -3.897 1.00 0.00 H new ATOM 0 HA ILE B 6 6.261 20.732 -1.938 1.00 0.00 H new ATOM 0 HB ILE B 6 6.662 21.338 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.111 18.617 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE B 6 4.853 19.611 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE B 6 8.591 19.820 -4.666 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.719 21.219 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.228 19.633 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE B 6 5.664 17.951 -5.992 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.040 19.597 -6.553 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.318 18.588 -5.835 1.00 0.00 H new ATOM 986 N LEU B 7 7.386 22.901 -1.492 1.00 0.00 N ATOM 987 CA LEU B 7 8.080 24.156 -1.207 1.00 0.00 C ATOM 988 C LEU B 7 9.589 23.926 -1.159 1.00 0.00 C ATOM 989 O LEU B 7 10.073 23.097 -0.387 1.00 0.00 O ATOM 990 CB LEU B 7 7.585 24.764 0.113 1.00 0.00 C ATOM 991 CG LEU B 7 6.489 25.829 -0.031 1.00 0.00 C ATOM 992 CD1 LEU B 7 5.113 25.212 0.178 1.00 0.00 C ATOM 993 CD2 LEU B 7 6.712 26.979 0.947 1.00 0.00 C ATOM 0 H LEU B 7 7.440 22.210 -0.744 1.00 0.00 H new ATOM 0 HA LEU B 7 7.860 24.861 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.208 23.961 0.746 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.435 25.207 0.632 1.00 0.00 H new ATOM 0 HG LEU B 7 6.540 26.230 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.349 25.982 0.072 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.947 24.432 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.056 24.779 1.177 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.922 27.720 0.824 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.696 26.597 1.968 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.678 27.443 0.749 1.00 0.00 H new ATOM 1208 N ASP B 22 9.773 28.873 1.030 1.00 0.00 N ATOM 1209 CA ASP B 22 10.508 28.225 2.114 1.00 0.00 C ATOM 1210 C ASP B 22 9.613 27.334 2.961 1.00 0.00 C ATOM 1211 O ASP B 22 8.438 27.623 3.176 1.00 0.00 O ATOM 1212 CB ASP B 22 11.166 29.283 3.002 1.00 0.00 C ATOM 1213 CG ASP B 22 12.285 28.712 3.851 1.00 0.00 C ATOM 1214 OD1 ASP B 22 12.895 27.706 3.432 1.00 0.00 O ATOM 1215 OD2 ASP B 22 12.550 29.271 4.936 1.00 0.00 O ATOM 0 HA ASP B 22 11.270 27.593 1.658 1.00 0.00 H new ATOM 0 HB2 ASP B 22 11.561 30.084 2.377 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.412 29.728 3.651 1.00 0.00 H new ATOM 1220 N ALA B 23 10.192 26.244 3.440 1.00 0.00 N ATOM 1221 CA ALA B 23 9.480 25.290 4.274 1.00 0.00 C ATOM 1222 C ALA B 23 8.780 25.989 5.442 1.00 0.00 C ATOM 1223 O ALA B 23 7.625 25.694 5.755 1.00 0.00 O ATOM 1224 CB ALA B 23 10.464 24.245 4.769 1.00 0.00 C ATOM 0 H ALA B 23 11.165 25.997 3.262 1.00 0.00 H new ATOM 0 HA ALA B 23 8.702 24.804 3.685 1.00 0.00 H new ATOM 0 HB1 ALA B 23 9.942 23.522 5.397 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.909 23.731 3.917 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.249 24.730 5.350 1.00 0.00 H new ATOM 1230 N ALA B 24 9.487 26.922 6.073 1.00 0.00 N ATOM 1231 CA ALA B 24 8.943 27.679 7.196 1.00 0.00 C ATOM 1232 C ALA B 24 7.833 28.626 6.741 1.00 0.00 C ATOM 1233 O ALA B 24 6.909 28.925 7.498 1.00 0.00 O ATOM 1234 CB ALA B 24 10.050 28.459 7.890 1.00 0.00 C ATOM 0 H ALA B 24 10.444 27.173 5.824 1.00 0.00 H new ATOM 0 HA ALA B 24 8.511 26.970 7.902 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.631 29.019 8.726 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.806 27.767 8.260 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.507 29.151 7.182 1.00 0.00 H new ATOM 1240 N THR B 25 7.932 29.096 5.499 1.00 0.00 N ATOM 1241 CA THR B 25 6.939 30.011 4.940 1.00 0.00 C ATOM 1242 C THR B 25 5.567 29.344 4.892 1.00 0.00 C ATOM 1243 O THR B 25 4.545 29.977 5.157 1.00 0.00 O ATOM 1244 CB THR B 25 7.370 30.457 3.532 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.529 31.270 3.599 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.315 31.235 2.773 1.00 0.00 C ATOM 0 H THR B 25 8.691 28.858 4.860 1.00 0.00 H new ATOM 0 HA THR B 25 6.870 30.890 5.581 1.00 0.00 H new ATOM 0 HB THR B 25 7.555 29.527 2.994 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.790 31.543 2.695 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.701 31.510 1.792 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.424 30.618 2.653 1.00 0.00 H new ATOM 0 HG23 THR B 25 6.059 32.138 3.328 1.00 0.00 H new ATOM 1254 N PHE B 26 5.559 28.057 4.577 1.00 0.00 N ATOM 1255 CA PHE B 26 4.318 27.298 4.519 1.00 0.00 C ATOM 1256 C PHE B 26 3.716 27.128 5.912 1.00 0.00 C ATOM 1257 O PHE B 26 2.524 27.357 6.117 1.00 0.00 O ATOM 1258 CB PHE B 26 4.545 25.930 3.878 1.00 0.00 C ATOM 1259 CG PHE B 26 3.280 25.303 3.366 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.591 25.872 2.306 1.00 0.00 C ATOM 1261 CD2 PHE B 26 2.777 24.151 3.947 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.424 25.301 1.835 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.610 23.576 3.480 1.00 0.00 C ATOM 1264 CZ PHE B 26 0.934 24.152 2.423 1.00 0.00 C ATOM 0 H PHE B 26 6.396 27.517 4.358 1.00 0.00 H new ATOM 0 HA PHE B 26 3.616 27.860 3.903 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.251 26.034 3.054 1.00 0.00 H new ATOM 0 HB3 PHE B 26 5.004 25.264 4.609 1.00 0.00 H new ATOM 0 HD1 PHE B 26 2.970 26.771 1.843 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.302 23.697 4.774 1.00 0.00 H new ATOM 0 HE1 PHE B 26 0.896 25.753 1.008 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.228 22.677 3.941 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.022 23.704 2.056 1.00 0.00 H new ATOM 1274 N GLU B 27 4.548 26.709 6.858 1.00 0.00 N ATOM 1275 CA GLU B 27 4.106 26.482 8.233 1.00 0.00 C ATOM 1276 C GLU B 27 3.421 27.711 8.830 1.00 0.00 C ATOM 1277 O GLU B 27 2.313 27.616 9.358 1.00 0.00 O ATOM 1278 CB GLU B 27 5.297 26.081 9.106 1.00 0.00 C ATOM 1279 CG GLU B 27 5.918 24.750 8.716 1.00 0.00 C ATOM 1280 CD GLU B 27 6.939 24.264 9.726 1.00 0.00 C ATOM 1281 OE1 GLU B 27 6.526 23.761 10.792 1.00 0.00 O ATOM 1282 OE2 GLU B 27 8.151 24.386 9.451 1.00 0.00 O ATOM 0 H GLU B 27 5.537 26.518 6.699 1.00 0.00 H new ATOM 0 HA GLU B 27 3.374 25.675 8.209 1.00 0.00 H new ATOM 0 HB2 GLU B 27 6.058 26.859 9.046 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.974 26.031 10.146 1.00 0.00 H new ATOM 0 HG2 GLU B 27 5.131 24.003 8.612 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.395 24.848 7.741 1.00 0.00 H new ATOM 1289 N LYS B 28 4.098 28.852 8.779 1.00 0.00 N ATOM 1290 CA LYS B 28 3.564 30.086 9.350 1.00 0.00 C ATOM 1291 C LYS B 28 2.344 30.606 8.589 1.00 0.00 C ATOM 1292 O LYS B 28 1.336 30.962 9.199 1.00 0.00 O ATOM 1293 CB LYS B 28 4.651 31.162 9.379 1.00 0.00 C ATOM 1294 CG LYS B 28 4.307 32.350 10.264 1.00 0.00 C ATOM 1295 CD LYS B 28 5.210 33.539 9.975 1.00 0.00 C ATOM 1296 CE LYS B 28 4.936 34.124 8.599 1.00 0.00 C ATOM 1297 NZ LYS B 28 5.110 35.602 8.582 1.00 0.00 N ATOM 0 H LYS B 28 5.018 28.950 8.349 1.00 0.00 H new ATOM 0 HA LYS B 28 3.239 29.854 10.364 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.582 30.717 9.729 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.828 31.515 8.363 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.267 32.634 10.105 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.403 32.065 11.312 1.00 0.00 H new ATOM 0 HD2 LYS B 28 5.058 34.306 10.735 1.00 0.00 H new ATOM 0 HD3 LYS B 28 6.253 33.229 10.039 1.00 0.00 H new ATOM 0 HE2 LYS B 28 5.608 33.670 7.871 1.00 0.00 H new ATOM 0 HE3 LYS B 28 3.920 33.874 8.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 4.914 35.964 7.627 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 4.451 36.037 9.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 6.087 35.840 8.849 1.00 0.00 H new ATOM 1311 N VAL B 29 2.435 30.662 7.263 1.00 0.00 N ATOM 1312 CA VAL B 29 1.330 31.153 6.443 1.00 0.00 C ATOM 1313 C VAL B 29 0.084 30.277 6.567 1.00 0.00 C ATOM 1314 O VAL B 29 -1.033 30.785 6.642 1.00 0.00 O ATOM 1315 CB VAL B 29 1.734 31.252 4.954 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.569 31.737 4.094 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.937 32.169 4.791 1.00 0.00 C ATOM 0 H VAL B 29 3.259 30.375 6.735 1.00 0.00 H new ATOM 0 HA VAL B 29 1.092 32.148 6.820 1.00 0.00 H new ATOM 0 HB VAL B 29 2.006 30.253 4.612 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.885 31.796 3.053 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.263 31.039 4.181 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.252 32.723 4.433 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.209 32.228 3.737 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.688 33.165 5.158 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.777 31.772 5.361 1.00 0.00 H new ATOM 1327 N VAL B 30 0.277 28.962 6.575 1.00 0.00 N ATOM 1328 CA VAL B 30 -0.844 28.034 6.669 1.00 0.00 C ATOM 1329 C VAL B 30 -1.500 28.074 8.046 1.00 0.00 C ATOM 1330 O VAL B 30 -2.726 28.132 8.150 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.417 26.587 6.329 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.599 25.628 6.414 1.00 0.00 C ATOM 1333 CG2 VAL B 30 0.207 26.535 4.942 1.00 0.00 C ATOM 0 H VAL B 30 1.193 28.517 6.518 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.578 28.360 5.932 1.00 0.00 H new ATOM 0 HB VAL B 30 0.324 26.272 7.064 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.267 24.619 6.170 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.006 25.641 7.425 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.370 25.937 5.708 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.503 25.511 4.715 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.519 26.875 4.203 1.00 0.00 H new ATOM 0 HG23 VAL B 30 1.084 27.181 4.913 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.696 28.056 9.102 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.231 28.103 10.455 1.00 0.00 C ATOM 1345 C LYS B 31 -1.970 29.415 10.692 1.00 0.00 C ATOM 1346 O LYS B 31 -3.072 29.431 11.238 1.00 0.00 O ATOM 1347 CB LYS B 31 -0.101 27.945 11.474 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.580 27.584 12.870 1.00 0.00 C ATOM 1349 CD LYS B 31 0.588 27.389 13.823 1.00 0.00 C ATOM 1350 CE LYS B 31 0.201 27.719 15.255 1.00 0.00 C ATOM 1351 NZ LYS B 31 1.389 28.061 16.086 1.00 0.00 N ATOM 0 H LYS B 31 0.321 28.010 9.048 1.00 0.00 H new ATOM 0 HA LYS B 31 -1.936 27.281 10.577 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.585 27.174 11.125 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.464 28.876 11.523 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.232 28.371 13.248 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.174 26.671 12.828 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.935 26.357 13.768 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.420 28.022 13.515 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -0.498 28.556 15.259 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.318 26.868 15.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.083 28.280 17.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.044 27.254 16.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.870 28.889 15.680 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.356 30.512 10.269 1.00 0.00 N ATOM 1366 CA GLN B 32 -1.954 31.830 10.426 1.00 0.00 C ATOM 1367 C GLN B 32 -3.251 31.946 9.632 1.00 0.00 C ATOM 1368 O GLN B 32 -4.258 32.438 10.141 1.00 0.00 O ATOM 1369 CB GLN B 32 -0.973 32.915 9.982 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.383 34.315 10.406 1.00 0.00 C ATOM 1371 CD GLN B 32 -0.797 34.712 11.747 1.00 0.00 C ATOM 1372 OE1 GLN B 32 -1.457 34.606 12.782 1.00 0.00 O ATOM 1373 NE2 GLN B 32 0.448 35.171 11.736 1.00 0.00 N ATOM 0 H GLN B 32 -0.443 30.515 9.814 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.186 31.967 11.482 1.00 0.00 H new ATOM 0 HB2 GLN B 32 0.012 32.693 10.393 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -0.879 32.886 8.896 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -1.062 35.029 9.648 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -2.470 34.371 10.457 1.00 0.00 H new ATOM 0 HE21 GLN B 32 0.958 35.242 10.855 1.00 0.00 H new ATOM 0 HE22 GLN B 32 0.895 35.453 12.608 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.227 31.484 8.384 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.397 31.519 7.515 1.00 0.00 C ATOM 1384 C PHE B 33 -5.517 30.595 7.998 1.00 0.00 C ATOM 1385 O PHE B 33 -6.679 30.998 8.056 1.00 0.00 O ATOM 1386 CB PHE B 33 -3.947 31.205 6.073 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.002 30.655 5.150 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.180 31.335 4.892 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -4.780 29.442 4.516 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.122 30.805 4.024 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.713 28.911 3.650 1.00 0.00 C ATOM 1392 CZ PHE B 33 -6.886 29.589 3.405 1.00 0.00 C ATOM 0 H PHE B 33 -2.399 31.077 7.950 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.832 32.518 7.542 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.549 32.119 5.632 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.126 30.490 6.119 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.366 32.285 5.370 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -3.862 28.905 4.703 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.040 31.340 3.831 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.524 27.965 3.165 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.621 29.173 2.731 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.171 29.360 8.342 1.00 0.00 N ATOM 1403 CA PHE B 34 -6.165 28.398 8.810 1.00 0.00 C ATOM 1404 C PHE B 34 -6.634 28.669 10.242 1.00 0.00 C ATOM 1405 O PHE B 34 -7.795 28.425 10.568 1.00 0.00 O ATOM 1406 CB PHE B 34 -5.655 26.968 8.637 1.00 0.00 C ATOM 1407 CG PHE B 34 -5.850 26.480 7.230 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -4.886 26.701 6.260 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -7.024 25.839 6.868 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -5.091 26.293 4.955 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -7.233 25.421 5.568 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.267 25.652 4.610 1.00 0.00 C ATOM 0 H PHE B 34 -4.217 29.002 8.307 1.00 0.00 H new ATOM 0 HA PHE B 34 -7.049 28.523 8.184 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -4.597 26.924 8.895 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.179 26.308 9.328 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.964 27.197 6.526 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -7.786 25.664 7.613 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -4.334 26.475 4.206 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -8.149 24.915 5.302 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.429 25.332 3.591 1.00 0.00 H new ATOM 1422 N ASN B 35 -5.748 29.189 11.090 1.00 0.00 N ATOM 1423 CA ASN B 35 -6.121 29.503 12.471 1.00 0.00 C ATOM 1424 C ASN B 35 -7.317 30.460 12.516 1.00 0.00 C ATOM 1425 O ASN B 35 -8.122 30.424 13.447 1.00 0.00 O ATOM 1426 CB ASN B 35 -4.933 30.095 13.240 1.00 0.00 C ATOM 1427 CG ASN B 35 -3.976 29.045 13.795 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -3.340 29.268 14.824 1.00 0.00 O ATOM 1429 ND2 ASN B 35 -3.869 27.894 13.135 1.00 0.00 N ATOM 0 H ASN B 35 -4.779 29.400 10.851 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.412 28.570 12.954 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.381 30.764 12.579 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.311 30.701 14.064 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.245 27.164 13.480 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -4.411 27.742 12.284 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.420 31.308 11.499 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.506 32.282 11.387 1.00 0.00 C ATOM 1438 C ASP B 36 -9.885 31.613 11.303 1.00 0.00 C ATOM 1439 O ASP B 36 -10.907 32.264 11.510 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.286 33.176 10.167 1.00 0.00 C ATOM 1441 CG ASP B 36 -7.139 34.149 10.361 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -6.858 34.513 11.523 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -6.521 34.548 9.351 1.00 0.00 O ATOM 0 H ASP B 36 -6.754 31.342 10.727 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.492 32.886 12.294 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.087 32.553 9.295 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.200 33.733 9.959 1.00 0.00 H new ATOM 1448 N ASN B 37 -9.910 30.319 10.983 1.00 0.00 N ATOM 1449 CA ASN B 37 -11.174 29.590 10.865 1.00 0.00 C ATOM 1450 C ASN B 37 -11.390 28.618 12.026 1.00 0.00 C ATOM 1451 O ASN B 37 -12.523 28.219 12.298 1.00 0.00 O ATOM 1452 CB ASN B 37 -11.249 28.844 9.532 1.00 0.00 C ATOM 1453 CG ASN B 37 -10.194 27.767 9.409 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -10.210 26.777 10.139 1.00 0.00 O ATOM 1455 ND2 ASN B 37 -9.270 27.956 8.477 1.00 0.00 N ATOM 0 H ASN B 37 -9.078 29.758 10.802 1.00 0.00 H new ATOM 0 HA ASN B 37 -11.972 30.331 10.903 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -12.236 28.394 9.426 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -11.134 29.556 8.714 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.532 27.264 8.342 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -9.297 28.793 7.895 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.313 28.248 12.720 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.447 27.339 13.851 1.00 0.00 C ATOM 1464 C GLY B 38 -9.469 26.171 13.834 1.00 0.00 C ATOM 1465 O GLY B 38 -9.651 25.205 14.574 1.00 0.00 O ATOM 0 H GLY B 38 -9.361 28.557 12.523 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.307 27.902 14.774 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.464 26.947 13.869 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.430 26.249 13.007 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.440 25.178 12.935 1.00 0.00 C ATOM 1471 C VAL B 39 -6.311 25.421 13.930 1.00 0.00 C ATOM 1472 O VAL B 39 -5.913 26.563 14.162 1.00 0.00 O ATOM 1473 CB VAL B 39 -6.846 25.040 11.520 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -5.966 23.801 11.428 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -7.955 24.993 10.481 1.00 0.00 C ATOM 0 H VAL B 39 -8.252 27.035 12.382 1.00 0.00 H new ATOM 0 HA VAL B 39 -7.957 24.251 13.185 1.00 0.00 H new ATOM 0 HB VAL B 39 -6.225 25.913 11.318 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.555 23.720 10.422 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -5.151 23.880 12.147 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.561 22.915 11.649 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.518 24.895 9.487 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.603 24.139 10.678 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.540 25.911 10.532 1.00 0.00 H new ATOM 1485 N ASP B 40 -5.804 24.345 14.523 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.725 24.451 15.499 1.00 0.00 C ATOM 1487 C ASP B 40 -3.897 23.170 15.542 1.00 0.00 C ATOM 1488 O ASP B 40 -4.157 22.226 14.796 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.299 24.746 16.886 1.00 0.00 C ATOM 1490 CG ASP B 40 -5.697 26.199 17.050 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -6.846 26.543 16.703 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -4.861 26.994 17.529 1.00 0.00 O ATOM 0 H ASP B 40 -6.122 23.392 14.346 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.073 25.270 15.196 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.169 24.112 17.058 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.560 24.487 17.644 1.00 0.00 H new ATOM 1497 N GLY B 41 -2.903 23.142 16.425 1.00 0.00 N ATOM 1498 CA GLY B 41 -2.051 21.972 16.554 1.00 0.00 C ATOM 1499 C GLY B 41 -0.602 22.260 16.211 1.00 0.00 C ATOM 1500 O GLY B 41 -0.100 23.352 16.474 1.00 0.00 O ATOM 0 H GLY B 41 -2.672 23.910 17.055 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -2.110 21.596 17.575 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.424 21.183 15.902 1.00 0.00 H new ATOM 1504 N GLU B 42 0.072 21.275 15.623 1.00 0.00 N ATOM 1505 CA GLU B 42 1.473 21.426 15.246 1.00 0.00 C ATOM 1506 C GLU B 42 1.812 20.573 14.027 1.00 0.00 C ATOM 1507 O GLU B 42 1.125 19.595 13.730 1.00 0.00 O ATOM 1508 CB GLU B 42 2.380 21.043 16.418 1.00 0.00 C ATOM 1509 CG GLU B 42 2.417 22.084 17.524 1.00 0.00 C ATOM 1510 CD GLU B 42 1.379 21.830 18.599 1.00 0.00 C ATOM 1511 OE1 GLU B 42 1.154 20.649 18.939 1.00 0.00 O ATOM 1512 OE2 GLU B 42 0.791 22.810 19.102 1.00 0.00 O ATOM 0 H GLU B 42 -0.330 20.365 15.398 1.00 0.00 H new ATOM 0 HA GLU B 42 1.640 22.472 14.988 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.041 20.095 16.834 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.392 20.884 16.046 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.409 22.093 17.977 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.254 23.072 17.093 1.00 0.00 H new ATOM 1519 N TRP B 43 2.875 20.952 13.326 1.00 0.00 N ATOM 1520 CA TRP B 43 3.312 20.227 12.137 1.00 0.00 C ATOM 1521 C TRP B 43 3.951 18.899 12.506 1.00 0.00 C ATOM 1522 O TRP B 43 4.955 18.851 13.217 1.00 0.00 O ATOM 1523 CB TRP B 43 4.292 21.075 11.326 1.00 0.00 C ATOM 1524 CG TRP B 43 3.627 22.187 10.574 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.509 23.488 10.970 1.00 0.00 C ATOM 1526 CD2 TRP B 43 2.985 22.095 9.297 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.834 24.212 10.018 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.502 23.379 8.981 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.774 21.053 8.390 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.820 23.647 7.796 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 2.097 21.320 7.215 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.628 22.608 6.927 1.00 0.00 C ATOM 0 H TRP B 43 3.452 21.760 13.561 1.00 0.00 H new ATOM 0 HA TRP B 43 2.431 20.022 11.528 1.00 0.00 H new ATOM 0 HB2 TRP B 43 5.041 21.496 11.997 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.821 20.433 10.621 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.891 23.890 11.897 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.615 25.207 10.073 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.133 20.057 8.603 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.456 24.639 7.572 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.927 20.522 6.507 1.00 0.00 H new ATOM 0 HH2 TRP B 43 1.104 22.785 5.999 1.00 0.00 H new ATOM 1543 N THR B 44 3.359 17.821 12.009 1.00 0.00 N ATOM 1544 CA THR B 44 3.862 16.483 12.272 1.00 0.00 C ATOM 1545 C THR B 44 4.376 15.845 10.989 1.00 0.00 C ATOM 1546 O THR B 44 3.774 15.982 9.924 1.00 0.00 O ATOM 1547 CB THR B 44 2.770 15.613 12.893 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.687 15.449 11.995 1.00 0.00 O ATOM 1549 CG2 THR B 44 2.218 16.180 14.183 1.00 0.00 C ATOM 0 H THR B 44 2.527 17.850 11.420 1.00 0.00 H new ATOM 0 HA THR B 44 4.689 16.561 12.978 1.00 0.00 H new ATOM 0 HB THR B 44 3.248 14.658 13.110 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.835 16.002 11.200 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.447 15.515 14.572 1.00 0.00 H new ATOM 0 HG22 THR B 44 3.022 16.271 14.914 1.00 0.00 H new ATOM 0 HG23 THR B 44 1.787 17.163 13.993 1.00 0.00 H new ATOM 1557 N TYR B 45 5.487 15.138 11.109 1.00 0.00 N ATOM 1558 CA TYR B 45 6.095 14.458 9.971 1.00 0.00 C ATOM 1559 C TYR B 45 5.254 13.261 9.539 1.00 0.00 C ATOM 1560 O TYR B 45 4.686 12.556 10.373 1.00 0.00 O ATOM 1561 CB TYR B 45 7.514 14.006 10.317 1.00 0.00 C ATOM 1562 CG TYR B 45 8.540 15.112 10.218 1.00 0.00 C ATOM 1563 CD1 TYR B 45 9.079 15.475 8.990 1.00 0.00 C ATOM 1564 CD2 TYR B 45 8.969 15.795 11.350 1.00 0.00 C ATOM 1565 CE1 TYR B 45 10.016 16.485 8.892 1.00 0.00 C ATOM 1566 CE2 TYR B 45 9.905 16.806 11.260 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.426 17.148 10.029 1.00 0.00 C ATOM 1568 OH TYR B 45 11.359 18.155 9.936 1.00 0.00 O ATOM 0 H TYR B 45 5.991 15.018 11.988 1.00 0.00 H new ATOM 0 HA TYR B 45 6.141 15.163 9.141 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.522 13.604 11.330 1.00 0.00 H new ATOM 0 HB3 TYR B 45 7.801 13.194 9.649 1.00 0.00 H new ATOM 0 HD1 TYR B 45 8.760 14.959 8.097 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.564 15.531 12.316 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.425 16.754 7.929 1.00 0.00 H new ATOM 0 HE2 TYR B 45 10.228 17.327 12.149 1.00 0.00 H new ATOM 0 HH TYR B 45 11.537 18.519 10.828 1.00 0.00 H new ATOM 1578 N ASP B 46 5.176 13.037 8.230 1.00 0.00 N ATOM 1579 CA ASP B 46 4.402 11.924 7.690 1.00 0.00 C ATOM 1580 C ASP B 46 5.102 10.596 7.959 1.00 0.00 C ATOM 1581 O ASP B 46 6.304 10.559 8.223 1.00 0.00 O ATOM 1582 CB ASP B 46 4.202 12.093 6.183 1.00 0.00 C ATOM 1583 CG ASP B 46 3.523 13.398 5.826 1.00 0.00 C ATOM 1584 OD1 ASP B 46 3.895 14.439 6.407 1.00 0.00 O ATOM 1585 OD2 ASP B 46 2.619 13.380 4.964 1.00 0.00 O ATOM 0 H ASP B 46 5.639 13.611 7.525 1.00 0.00 H new ATOM 0 HA ASP B 46 3.431 11.921 8.186 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.170 12.044 5.684 1.00 0.00 H new ATOM 0 HB3 ASP B 46 3.606 11.263 5.804 1.00 0.00 H new ATOM 1590 N ASP B 47 4.343 9.507 7.889 1.00 0.00 N ATOM 1591 CA ASP B 47 4.895 8.177 8.122 1.00 0.00 C ATOM 1592 C ASP B 47 5.895 7.812 7.027 1.00 0.00 C ATOM 1593 O ASP B 47 5.619 7.986 5.841 1.00 0.00 O ATOM 1594 CB ASP B 47 3.774 7.138 8.176 1.00 0.00 C ATOM 1595 CG ASP B 47 4.219 5.840 8.820 1.00 0.00 C ATOM 1596 OD1 ASP B 47 5.103 5.887 9.702 1.00 0.00 O ATOM 1597 OD2 ASP B 47 3.686 4.775 8.442 1.00 0.00 O ATOM 0 H ASP B 47 3.346 9.519 7.673 1.00 0.00 H new ATOM 0 HA ASP B 47 5.415 8.185 9.080 1.00 0.00 H new ATOM 0 HB2 ASP B 47 2.931 7.546 8.733 1.00 0.00 H new ATOM 0 HB3 ASP B 47 3.420 6.936 7.165 1.00 0.00 H new ATOM 1602 N ALA B 48 7.062 7.319 7.435 1.00 0.00 N ATOM 1603 CA ALA B 48 8.113 6.943 6.492 1.00 0.00 C ATOM 1604 C ALA B 48 7.605 5.964 5.437 1.00 0.00 C ATOM 1605 O ALA B 48 6.844 5.045 5.737 1.00 0.00 O ATOM 1606 CB ALA B 48 9.298 6.347 7.238 1.00 0.00 C ATOM 0 H ALA B 48 7.304 7.170 8.415 1.00 0.00 H new ATOM 0 HA ALA B 48 8.432 7.847 5.974 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.075 6.071 6.525 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.694 7.082 7.939 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.975 5.461 7.785 1.00 0.00 H new ATOM 1612 N THR B 49 8.040 6.172 4.197 1.00 0.00 N ATOM 1613 CA THR B 49 7.643 5.319 3.082 1.00 0.00 C ATOM 1614 C THR B 49 8.863 4.904 2.264 1.00 0.00 C ATOM 1615 O THR B 49 9.893 5.578 2.290 1.00 0.00 O ATOM 1616 CB THR B 49 6.635 6.042 2.189 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.622 6.651 2.968 1.00 0.00 O ATOM 1618 CG2 THR B 49 5.959 5.131 1.188 1.00 0.00 C ATOM 0 H THR B 49 8.672 6.930 3.939 1.00 0.00 H new ATOM 0 HA THR B 49 7.173 4.423 3.488 1.00 0.00 H new ATOM 0 HB THR B 49 7.215 6.786 1.643 1.00 0.00 H new ATOM 0 HG1 THR B 49 4.988 7.110 2.379 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.257 5.708 0.587 1.00 0.00 H new ATOM 0 HG22 THR B 49 6.711 4.684 0.538 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.422 4.344 1.717 1.00 0.00 H new ATOM 1626 N LYS B 50 8.749 3.790 1.546 1.00 0.00 N ATOM 1627 CA LYS B 50 9.854 3.294 0.732 1.00 0.00 C ATOM 1628 C LYS B 50 9.434 3.105 -0.722 1.00 0.00 C ATOM 1629 O LYS B 50 8.501 2.360 -1.022 1.00 0.00 O ATOM 1630 CB LYS B 50 10.376 1.972 1.298 1.00 0.00 C ATOM 1631 CG LYS B 50 11.449 2.146 2.362 1.00 0.00 C ATOM 1632 CD LYS B 50 11.728 0.842 3.091 1.00 0.00 C ATOM 1633 CE LYS B 50 12.047 1.080 4.558 1.00 0.00 C ATOM 1634 NZ LYS B 50 12.111 -0.193 5.327 1.00 0.00 N ATOM 0 H LYS B 50 7.907 3.216 1.511 1.00 0.00 H new ATOM 0 HA LYS B 50 10.649 4.039 0.761 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.542 1.414 1.723 1.00 0.00 H new ATOM 0 HB3 LYS B 50 10.779 1.371 0.483 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.367 2.508 1.899 1.00 0.00 H new ATOM 0 HG3 LYS B 50 11.133 2.904 3.079 1.00 0.00 H new ATOM 0 HD2 LYS B 50 10.862 0.185 3.008 1.00 0.00 H new ATOM 0 HD3 LYS B 50 12.564 0.329 2.615 1.00 0.00 H new ATOM 0 HE2 LYS B 50 13.000 1.603 4.642 1.00 0.00 H new ATOM 0 HE3 LYS B 50 11.288 1.729 4.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 11.824 -0.019 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 11.470 -0.890 4.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 13.084 -0.561 5.310 1.00 0.00 H new ATOM 1648 N THR B 51 10.141 3.785 -1.620 1.00 0.00 N ATOM 1649 CA THR B 51 9.863 3.702 -3.050 1.00 0.00 C ATOM 1650 C THR B 51 10.978 2.935 -3.758 1.00 0.00 C ATOM 1651 O THR B 51 12.157 3.247 -3.596 1.00 0.00 O ATOM 1652 CB THR B 51 9.714 5.112 -3.638 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.577 5.757 -3.094 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.571 5.136 -5.147 1.00 0.00 C ATOM 0 H THR B 51 10.916 4.404 -1.380 1.00 0.00 H new ATOM 0 HA THR B 51 8.927 3.164 -3.202 1.00 0.00 H new ATOM 0 HB THR B 51 10.637 5.628 -3.375 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.496 6.655 -3.477 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.470 6.167 -5.487 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.454 4.688 -5.603 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.686 4.570 -5.438 1.00 0.00 H new ATOM 1662 N PHE B 52 10.600 1.930 -4.543 1.00 0.00 N ATOM 1663 CA PHE B 52 11.573 1.126 -5.273 1.00 0.00 C ATOM 1664 C PHE B 52 11.999 1.812 -6.567 1.00 0.00 C ATOM 1665 O PHE B 52 11.200 1.961 -7.491 1.00 0.00 O ATOM 1666 CB PHE B 52 11.001 -0.259 -5.582 1.00 0.00 C ATOM 1667 CG PHE B 52 12.055 -1.280 -5.910 1.00 0.00 C ATOM 1668 CD1 PHE B 52 13.043 -1.595 -4.989 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.058 -1.921 -7.137 1.00 0.00 C ATOM 1670 CE1 PHE B 52 14.013 -2.532 -5.288 1.00 0.00 C ATOM 1671 CE2 PHE B 52 13.026 -2.860 -7.442 1.00 0.00 C ATOM 1672 CZ PHE B 52 14.004 -3.165 -6.516 1.00 0.00 C ATOM 0 H PHE B 52 9.629 1.654 -4.689 1.00 0.00 H new ATOM 0 HA PHE B 52 12.452 1.015 -4.639 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.424 -0.605 -4.724 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.309 -0.180 -6.420 1.00 0.00 H new ATOM 0 HD1 PHE B 52 13.054 -1.103 -4.028 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.295 -1.685 -7.864 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.777 -2.769 -4.563 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.017 -3.354 -8.402 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.761 -3.898 -6.752 1.00 0.00 H new ATOM 1682 N THR B 53 13.262 2.219 -6.635 1.00 0.00 N ATOM 1683 CA THR B 53 13.787 2.876 -7.828 1.00 0.00 C ATOM 1684 C THR B 53 14.388 1.846 -8.778 1.00 0.00 C ATOM 1685 O THR B 53 15.262 1.068 -8.393 1.00 0.00 O ATOM 1686 CB THR B 53 14.840 3.919 -7.449 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.296 4.879 -6.561 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.401 4.665 -8.641 1.00 0.00 C ATOM 0 H THR B 53 13.940 2.106 -5.881 1.00 0.00 H new ATOM 0 HA THR B 53 12.963 3.382 -8.332 1.00 0.00 H new ATOM 0 HB THR B 53 15.647 3.357 -6.980 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.062 4.445 -5.714 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.142 5.389 -8.301 1.00 0.00 H new ATOM 0 HG22 THR B 53 15.871 3.958 -9.324 1.00 0.00 H new ATOM 0 HG23 THR B 53 14.594 5.186 -9.157 1.00 0.00 H new ATOM 1696 N VAL B 54 13.910 1.837 -10.020 1.00 0.00 N ATOM 1697 CA VAL B 54 14.404 0.891 -11.014 1.00 0.00 C ATOM 1698 C VAL B 54 15.818 1.245 -11.457 1.00 0.00 C ATOM 1699 O VAL B 54 16.246 2.394 -11.343 1.00 0.00 O ATOM 1700 CB VAL B 54 13.495 0.834 -12.258 1.00 0.00 C ATOM 1701 CG1 VAL B 54 13.846 -0.372 -13.116 1.00 0.00 C ATOM 1702 CG2 VAL B 54 12.027 0.800 -11.858 1.00 0.00 C ATOM 0 H VAL B 54 13.186 2.470 -10.359 1.00 0.00 H new ATOM 0 HA VAL B 54 14.404 -0.087 -10.532 1.00 0.00 H new ATOM 0 HB VAL B 54 13.662 1.737 -12.845 1.00 0.00 H new ATOM 0 HG11 VAL B 54 13.196 -0.398 -13.990 1.00 0.00 H new ATOM 0 HG12 VAL B 54 14.885 -0.299 -13.439 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.710 -1.284 -12.535 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.407 0.760 -12.753 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.837 -0.081 -11.245 1.00 0.00 H new ATOM 0 HG23 VAL B 54 11.784 1.697 -11.288 1.00 0.00 H new ATOM 1712 N THR B 55 16.539 0.251 -11.964 1.00 0.00 N ATOM 1713 CA THR B 55 17.908 0.464 -12.426 1.00 0.00 C ATOM 1714 C THR B 55 18.217 -0.383 -13.661 1.00 0.00 C ATOM 1715 O THR B 55 18.240 0.126 -14.781 1.00 0.00 O ATOM 1716 CB THR B 55 18.904 0.158 -11.304 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.615 0.936 -10.155 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.343 0.427 -11.688 1.00 0.00 C ATOM 0 H THR B 55 16.202 -0.706 -12.066 1.00 0.00 H new ATOM 0 HA THR B 55 18.007 1.512 -12.707 1.00 0.00 H new ATOM 0 HB THR B 55 18.793 -0.907 -11.102 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.346 0.848 -9.508 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.995 0.189 -10.847 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.613 -0.192 -12.543 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.459 1.479 -11.951 1.00 0.00 H new ATOM 1726 N GLU B 56 18.457 -1.672 -13.450 1.00 0.00 N ATOM 1727 CA GLU B 56 18.767 -2.587 -14.546 1.00 0.00 C ATOM 1728 C GLU B 56 18.993 -4.003 -14.027 1.00 0.00 C ATOM 1729 O GLU B 56 19.750 -4.159 -13.046 1.00 0.00 O ATOM 1730 CB GLU B 56 20.007 -2.113 -15.311 1.00 0.00 C ATOM 1731 CG GLU B 56 21.159 -1.712 -14.407 1.00 0.00 C ATOM 1732 CD GLU B 56 22.159 -0.808 -15.103 1.00 0.00 C ATOM 1733 OE1 GLU B 56 22.505 -1.093 -16.269 1.00 0.00 O ATOM 1734 OE2 GLU B 56 22.597 0.182 -14.482 1.00 0.00 O ATOM 1735 OXT GLU B 56 18.412 -4.945 -14.606 1.00 0.00 O ATOM 0 H GLU B 56 18.443 -2.109 -12.529 1.00 0.00 H new ATOM 0 HA GLU B 56 17.913 -2.595 -15.223 1.00 0.00 H new ATOM 0 HB2 GLU B 56 20.339 -2.909 -15.978 1.00 0.00 H new ATOM 0 HB3 GLU B 56 19.735 -1.264 -15.938 1.00 0.00 H new ATOM 0 HG2 GLU B 56 20.765 -1.203 -13.527 1.00 0.00 H new ATOM 0 HG3 GLU B 56 21.669 -2.609 -14.055 1.00 0.00 H new ATOM 1743 N MET C 1 5.048 -0.113 8.344 1.00 0.00 N ATOM 1744 CA MET C 1 5.838 0.543 7.269 1.00 0.00 C ATOM 1745 C MET C 1 5.057 0.587 5.961 1.00 0.00 C ATOM 1746 O MET C 1 4.563 -0.435 5.489 1.00 0.00 O ATOM 1747 CB MET C 1 7.143 -0.233 7.080 1.00 0.00 C ATOM 1748 CG MET C 1 8.263 0.230 7.997 1.00 0.00 C ATOM 1749 SD MET C 1 9.366 1.415 7.201 1.00 0.00 S ATOM 1750 CE MET C 1 8.186 2.600 6.562 1.00 0.00 C ATOM 0 H1 MET C 1 5.604 -0.129 9.223 1.00 0.00 H new ATOM 0 H2 MET C 1 4.168 0.418 8.501 1.00 0.00 H new ATOM 0 H3 MET C 1 4.819 -1.087 8.061 1.00 0.00 H new ATOM 0 HA MET C 1 6.052 1.572 7.558 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.955 -1.292 7.256 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.468 -0.134 6.044 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.833 0.683 8.890 1.00 0.00 H new ATOM 0 HG3 MET C 1 8.840 -0.635 8.325 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.718 3.458 6.151 1.00 0.00 H new ATOM 0 HE2 MET C 1 7.590 2.133 5.778 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.531 2.932 7.367 1.00 0.00 H new ATOM 1762 N GLN C 2 4.961 1.777 5.378 1.00 0.00 N ATOM 1763 CA GLN C 2 4.248 1.956 4.118 1.00 0.00 C ATOM 1764 C GLN C 2 5.185 1.737 2.936 1.00 0.00 C ATOM 1765 O GLN C 2 6.213 2.404 2.817 1.00 0.00 O ATOM 1766 CB GLN C 2 3.631 3.354 4.046 1.00 0.00 C ATOM 1767 CG GLN C 2 2.515 3.473 3.020 1.00 0.00 C ATOM 1768 CD GLN C 2 1.809 4.814 3.079 1.00 0.00 C ATOM 1769 OE1 GLN C 2 0.938 5.034 3.923 1.00 0.00 O ATOM 1770 NE2 GLN C 2 2.181 5.719 2.182 1.00 0.00 N ATOM 0 H GLN C 2 5.368 2.632 5.758 1.00 0.00 H new ATOM 0 HA GLN C 2 3.448 1.217 4.071 1.00 0.00 H new ATOM 0 HB2 GLN C 2 3.241 3.621 5.028 1.00 0.00 H new ATOM 0 HB3 GLN C 2 4.412 4.075 3.806 1.00 0.00 H new ATOM 0 HG2 GLN C 2 2.927 3.327 2.022 1.00 0.00 H new ATOM 0 HG3 GLN C 2 1.789 2.677 3.184 1.00 0.00 H new ATOM 0 HE21 GLN C 2 2.907 5.494 1.501 1.00 0.00 H new ATOM 0 HE22 GLN C 2 1.741 6.639 2.173 1.00 0.00 H new ATOM 1779 N TYR C 3 4.832 0.789 2.073 1.00 0.00 N ATOM 1780 CA TYR C 3 5.654 0.475 0.911 1.00 0.00 C ATOM 1781 C TYR C 3 5.006 0.944 -0.388 1.00 0.00 C ATOM 1782 O TYR C 3 3.821 0.710 -0.632 1.00 0.00 O ATOM 1783 CB TYR C 3 5.925 -1.027 0.846 1.00 0.00 C ATOM 1784 CG TYR C 3 7.036 -1.476 1.769 1.00 0.00 C ATOM 1785 CD1 TYR C 3 8.367 -1.380 1.382 1.00 0.00 C ATOM 1786 CD2 TYR C 3 6.754 -1.992 3.028 1.00 0.00 C ATOM 1787 CE1 TYR C 3 9.385 -1.785 2.222 1.00 0.00 C ATOM 1788 CE2 TYR C 3 7.768 -2.399 3.875 1.00 0.00 C ATOM 1789 CZ TYR C 3 9.081 -2.295 3.467 1.00 0.00 C ATOM 1790 OH TYR C 3 10.093 -2.698 4.306 1.00 0.00 O ATOM 0 H TYR C 3 3.985 0.227 2.157 1.00 0.00 H new ATOM 0 HA TYR C 3 6.597 1.010 1.024 1.00 0.00 H new ATOM 0 HB2 TYR C 3 5.012 -1.565 1.100 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.181 -1.299 -0.178 1.00 0.00 H new ATOM 0 HD1 TYR C 3 8.609 -0.982 0.408 1.00 0.00 H new ATOM 0 HD2 TYR C 3 5.727 -2.076 3.350 1.00 0.00 H new ATOM 0 HE1 TYR C 3 10.414 -1.703 1.906 1.00 0.00 H new ATOM 0 HE2 TYR C 3 7.533 -2.796 4.851 1.00 0.00 H new ATOM 0 HH TYR C 3 10.535 -3.487 3.929 1.00 0.00 H new ATOM 1800 N LYS C 4 5.807 1.609 -1.213 1.00 0.00 N ATOM 1801 CA LYS C 4 5.342 2.125 -2.496 1.00 0.00 C ATOM 1802 C LYS C 4 5.893 1.297 -3.654 1.00 0.00 C ATOM 1803 O LYS C 4 7.096 1.048 -3.739 1.00 0.00 O ATOM 1804 CB LYS C 4 5.752 3.590 -2.659 1.00 0.00 C ATOM 1805 CG LYS C 4 4.705 4.573 -2.163 1.00 0.00 C ATOM 1806 CD LYS C 4 4.928 5.963 -2.737 1.00 0.00 C ATOM 1807 CE LYS C 4 4.336 7.038 -1.842 1.00 0.00 C ATOM 1808 NZ LYS C 4 4.313 8.369 -2.510 1.00 0.00 N ATOM 0 H LYS C 4 6.788 1.805 -1.014 1.00 0.00 H new ATOM 0 HA LYS C 4 4.254 2.055 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS C 4 6.683 3.760 -2.119 1.00 0.00 H new ATOM 0 HB3 LYS C 4 5.954 3.787 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS C 4 3.712 4.219 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS C 4 4.735 4.619 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS C 4 5.997 6.139 -2.861 1.00 0.00 H new ATOM 0 HD3 LYS C 4 4.478 6.025 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS C 4 3.322 6.756 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS C 4 4.917 7.104 -0.922 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 3.796 9.047 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 5.288 8.704 -2.650 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 3.839 8.286 -3.432 1.00 0.00 H new ATOM 1822 N VAL C 5 5.002 0.879 -4.547 1.00 0.00 N ATOM 1823 CA VAL C 5 5.391 0.085 -5.709 1.00 0.00 C ATOM 1824 C VAL C 5 4.574 0.487 -6.932 1.00 0.00 C ATOM 1825 O VAL C 5 3.343 0.475 -6.895 1.00 0.00 O ATOM 1826 CB VAL C 5 5.210 -1.423 -5.454 1.00 0.00 C ATOM 1827 CG1 VAL C 5 5.816 -2.235 -6.588 1.00 0.00 C ATOM 1828 CG2 VAL C 5 5.824 -1.819 -4.118 1.00 0.00 C ATOM 0 H VAL C 5 4.003 1.077 -4.489 1.00 0.00 H new ATOM 0 HA VAL C 5 6.447 0.282 -5.892 1.00 0.00 H new ATOM 0 HB VAL C 5 4.142 -1.638 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL C 5 5.678 -3.298 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.324 -1.974 -7.525 1.00 0.00 H new ATOM 0 HG13 VAL C 5 6.881 -2.016 -6.664 1.00 0.00 H new ATOM 0 HG21 VAL C 5 5.686 -2.888 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL C 5 6.889 -1.588 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.337 -1.265 -3.315 1.00 0.00 H new ATOM 1838 N ILE C 6 5.259 0.847 -8.013 1.00 0.00 N ATOM 1839 CA ILE C 6 4.585 1.255 -9.241 1.00 0.00 C ATOM 1840 C ILE C 6 4.503 0.111 -10.248 1.00 0.00 C ATOM 1841 O ILE C 6 5.526 -0.374 -10.733 1.00 0.00 O ATOM 1842 CB ILE C 6 5.298 2.451 -9.904 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.612 3.533 -8.868 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.444 3.019 -11.026 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.604 4.566 -9.356 1.00 0.00 C ATOM 0 H ILE C 6 6.278 0.865 -8.064 1.00 0.00 H new ATOM 0 HA ILE C 6 3.576 1.549 -8.953 1.00 0.00 H new ATOM 0 HB ILE C 6 6.239 2.100 -10.328 1.00 0.00 H new ATOM 0 HG12 ILE C 6 4.686 4.035 -8.586 1.00 0.00 H new ATOM 0 HG13 ILE C 6 6.005 3.060 -7.968 1.00 0.00 H new ATOM 0 HG21 ILE C 6 4.960 3.862 -11.485 1.00 0.00 H new ATOM 0 HG22 ILE C 6 4.270 2.248 -11.777 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.489 3.354 -10.622 1.00 0.00 H new ATOM 0 HD11 ILE C 6 6.779 5.301 -8.571 1.00 0.00 H new ATOM 0 HD12 ILE C 6 7.544 4.076 -9.611 1.00 0.00 H new ATOM 0 HD13 ILE C 6 6.204 5.066 -10.238 1.00 0.00 H new ATOM 1857 N LEU C 7 3.282 -0.303 -10.579 1.00 0.00 N ATOM 1858 CA LEU C 7 3.074 -1.374 -11.551 1.00 0.00 C ATOM 1859 C LEU C 7 2.431 -0.816 -12.819 1.00 0.00 C ATOM 1860 O LEU C 7 1.359 -0.214 -12.768 1.00 0.00 O ATOM 1861 CB LEU C 7 2.202 -2.490 -10.957 1.00 0.00 C ATOM 1862 CG LEU C 7 2.977 -3.678 -10.373 1.00 0.00 C ATOM 1863 CD1 LEU C 7 3.136 -3.524 -8.867 1.00 0.00 C ATOM 1864 CD2 LEU C 7 2.285 -4.997 -10.706 1.00 0.00 C ATOM 0 H LEU C 7 2.423 0.086 -10.189 1.00 0.00 H new ATOM 0 HA LEU C 7 4.044 -1.800 -11.805 1.00 0.00 H new ATOM 0 HB2 LEU C 7 1.576 -2.063 -10.173 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.532 -2.859 -11.734 1.00 0.00 H new ATOM 0 HG LEU C 7 3.968 -3.691 -10.826 1.00 0.00 H new ATOM 0 HD11 LEU C 7 3.688 -4.376 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU C 7 3.682 -2.606 -8.651 1.00 0.00 H new ATOM 0 HD13 LEU C 7 2.152 -3.480 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU C 7 2.854 -5.824 -10.281 1.00 0.00 H new ATOM 0 HD22 LEU C 7 1.279 -4.996 -10.287 1.00 0.00 H new ATOM 0 HD23 LEU C 7 2.228 -5.115 -11.788 1.00 0.00 H new ATOM 2079 N ASP C 22 1.541 -6.033 -14.052 1.00 0.00 N ATOM 2080 CA ASP C 22 0.152 -5.618 -14.223 1.00 0.00 C ATOM 2081 C ASP C 22 -0.504 -5.299 -12.890 1.00 0.00 C ATOM 2082 O ASP C 22 -0.211 -5.915 -11.868 1.00 0.00 O ATOM 2083 CB ASP C 22 -0.636 -6.714 -14.940 1.00 0.00 C ATOM 2084 CG ASP C 22 -1.938 -6.204 -15.525 1.00 0.00 C ATOM 2085 OD1 ASP C 22 -2.016 -4.999 -15.842 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -2.881 -7.012 -15.668 1.00 0.00 O ATOM 0 HA ASP C 22 0.147 -4.710 -14.826 1.00 0.00 H new ATOM 0 HB2 ASP C 22 -0.023 -7.135 -15.737 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -0.848 -7.522 -14.240 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.401 -4.329 -12.918 1.00 0.00 N ATOM 2092 CA ALA C 23 -2.123 -3.909 -11.729 1.00 0.00 C ATOM 2093 C ALA C 23 -2.756 -5.107 -11.016 1.00 0.00 C ATOM 2094 O ALA C 23 -2.695 -5.221 -9.791 1.00 0.00 O ATOM 2095 CB ALA C 23 -3.171 -2.890 -12.130 1.00 0.00 C ATOM 0 H ALA C 23 -1.649 -3.812 -13.762 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.428 -3.453 -11.024 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -3.721 -2.566 -11.246 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -2.685 -2.030 -12.590 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -3.862 -3.340 -12.842 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.353 -6.001 -11.799 1.00 0.00 N ATOM 2102 CA ALA C 24 -3.988 -7.201 -11.262 1.00 0.00 C ATOM 2103 C ALA C 24 -2.950 -8.176 -10.708 1.00 0.00 C ATOM 2104 O ALA C 24 -3.227 -8.927 -9.774 1.00 0.00 O ATOM 2105 CB ALA C 24 -4.828 -7.876 -12.335 1.00 0.00 C ATOM 0 H ALA C 24 -3.410 -5.916 -12.814 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.638 -6.900 -10.440 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.296 -8.770 -11.922 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.600 -7.188 -12.679 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.191 -8.155 -13.174 1.00 0.00 H new ATOM 2111 N THR C 25 -1.753 -8.158 -11.294 1.00 0.00 N ATOM 2112 CA THR C 25 -0.672 -9.043 -10.863 1.00 0.00 C ATOM 2113 C THR C 25 -0.293 -8.755 -9.414 1.00 0.00 C ATOM 2114 O THR C 25 -0.012 -9.668 -8.638 1.00 0.00 O ATOM 2115 CB THR C 25 0.547 -8.869 -11.784 1.00 0.00 C ATOM 2116 OG1 THR C 25 0.263 -9.351 -13.086 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.799 -9.577 -11.303 1.00 0.00 C ATOM 0 H THR C 25 -1.508 -7.541 -12.068 1.00 0.00 H new ATOM 0 HA THR C 25 -1.016 -10.075 -10.927 1.00 0.00 H new ATOM 0 HB THR C 25 0.742 -7.797 -11.781 1.00 0.00 H new ATOM 0 HG1 THR C 25 -0.708 -9.394 -13.215 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.610 -9.403 -12.010 1.00 0.00 H new ATOM 0 HG22 THR C 25 2.082 -9.191 -10.324 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.606 -10.647 -11.229 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.313 -7.480 -9.054 1.00 0.00 N ATOM 2126 CA PHE C 26 0.006 -7.072 -7.693 1.00 0.00 C ATOM 2127 C PHE C 26 -1.073 -7.536 -6.717 1.00 0.00 C ATOM 2128 O PHE C 26 -0.776 -8.105 -5.668 1.00 0.00 O ATOM 2129 CB PHE C 26 0.173 -5.556 -7.603 1.00 0.00 C ATOM 2130 CG PHE C 26 0.943 -5.120 -6.390 1.00 0.00 C ATOM 2131 CD1 PHE C 26 2.282 -5.449 -6.249 1.00 0.00 C ATOM 2132 CD2 PHE C 26 0.327 -4.389 -5.388 1.00 0.00 C ATOM 2133 CE1 PHE C 26 2.993 -5.054 -5.132 1.00 0.00 C ATOM 2134 CE2 PHE C 26 1.033 -3.992 -4.269 1.00 0.00 C ATOM 2135 CZ PHE C 26 2.367 -4.325 -4.140 1.00 0.00 C ATOM 0 H PHE C 26 -0.546 -6.712 -9.683 1.00 0.00 H new ATOM 0 HA PHE C 26 0.950 -7.544 -7.419 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.683 -5.199 -8.498 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -0.811 -5.088 -7.589 1.00 0.00 H new ATOM 0 HD1 PHE C 26 2.775 -6.021 -7.021 1.00 0.00 H new ATOM 0 HD2 PHE C 26 -0.716 -4.127 -5.482 1.00 0.00 H new ATOM 0 HE1 PHE C 26 4.037 -5.315 -5.035 1.00 0.00 H new ATOM 0 HE2 PHE C 26 0.542 -3.421 -3.495 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.920 -4.016 -3.265 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.328 -7.270 -7.068 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.462 -7.637 -6.223 1.00 0.00 C ATOM 2147 C GLU C 27 -3.460 -9.122 -5.863 1.00 0.00 C ATOM 2148 O GLU C 27 -3.555 -9.483 -4.689 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.774 -7.279 -6.925 1.00 0.00 C ATOM 2150 CG GLU C 27 -4.962 -5.787 -7.142 1.00 0.00 C ATOM 2151 CD GLU C 27 -6.356 -5.439 -7.624 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -7.290 -5.445 -6.795 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -6.515 -5.161 -8.831 1.00 0.00 O ATOM 0 H GLU C 27 -2.587 -6.800 -7.935 1.00 0.00 H new ATOM 0 HA GLU C 27 -3.370 -7.073 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -4.810 -7.785 -7.890 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -5.608 -7.659 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -4.762 -5.260 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -4.231 -5.435 -7.870 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.387 -9.979 -6.875 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.414 -11.423 -6.658 1.00 0.00 C ATOM 2162 C LYS C 28 -2.162 -11.933 -5.944 1.00 0.00 C ATOM 2163 O LYS C 28 -2.262 -12.708 -4.992 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.578 -12.151 -7.994 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.967 -13.613 -7.846 1.00 0.00 C ATOM 2166 CD LYS C 28 -3.754 -14.381 -9.141 1.00 0.00 C ATOM 2167 CE LYS C 28 -2.276 -14.520 -9.469 1.00 0.00 C ATOM 2168 NZ LYS C 28 -1.973 -15.825 -10.120 1.00 0.00 N ATOM 0 H LYS C 28 -3.309 -9.701 -7.853 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.266 -11.632 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.337 -11.640 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.643 -12.087 -8.550 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -3.377 -14.069 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -5.013 -13.684 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -4.204 -15.370 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -4.262 -13.868 -9.957 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -1.972 -13.706 -10.127 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -1.691 -14.426 -8.554 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -0.956 -15.881 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -2.240 -16.602 -9.482 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -2.512 -15.905 -11.006 1.00 0.00 H new ATOM 2182 N VAL C 29 -0.987 -11.514 -6.403 1.00 0.00 N ATOM 2183 CA VAL C 29 0.270 -11.952 -5.798 1.00 0.00 C ATOM 2184 C VAL C 29 0.399 -11.499 -4.344 1.00 0.00 C ATOM 2185 O VAL C 29 0.856 -12.258 -3.491 1.00 0.00 O ATOM 2186 CB VAL C 29 1.490 -11.440 -6.598 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.801 -11.875 -5.946 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.421 -11.929 -8.036 1.00 0.00 C ATOM 0 H VAL C 29 -0.877 -10.874 -7.189 1.00 0.00 H new ATOM 0 HA VAL C 29 0.254 -13.042 -5.822 1.00 0.00 H new ATOM 0 HB VAL C 29 1.462 -10.350 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.640 -11.500 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.855 -11.473 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.844 -12.963 -5.906 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.286 -11.561 -8.587 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.419 -13.019 -8.050 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.509 -11.558 -8.503 1.00 0.00 H new ATOM 2198 N VAL C 30 0.007 -10.260 -4.068 1.00 0.00 N ATOM 2199 CA VAL C 30 0.104 -9.719 -2.716 1.00 0.00 C ATOM 2200 C VAL C 30 -0.889 -10.381 -1.767 1.00 0.00 C ATOM 2201 O VAL C 30 -0.528 -10.762 -0.654 1.00 0.00 O ATOM 2202 CB VAL C 30 -0.089 -8.186 -2.700 1.00 0.00 C ATOM 2203 CG1 VAL C 30 0.032 -7.629 -1.287 1.00 0.00 C ATOM 2204 CG2 VAL C 30 0.923 -7.518 -3.620 1.00 0.00 C ATOM 0 H VAL C 30 -0.379 -9.614 -4.757 1.00 0.00 H new ATOM 0 HA VAL C 30 1.111 -9.943 -2.365 1.00 0.00 H new ATOM 0 HB VAL C 30 -1.094 -7.969 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -0.108 -6.548 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.729 -8.081 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL C 30 1.020 -7.858 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL C 30 0.776 -6.438 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.932 -7.753 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.786 -7.883 -4.638 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.136 -10.530 -2.202 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.151 -11.160 -1.368 1.00 0.00 C ATOM 2216 C LYS C 31 -2.786 -12.611 -1.083 1.00 0.00 C ATOM 2217 O LYS C 31 -2.875 -13.076 0.052 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.516 -11.088 -2.057 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.687 -11.357 -1.127 1.00 0.00 C ATOM 2220 CD LYS C 31 -7.015 -11.217 -1.855 1.00 0.00 C ATOM 2221 CE LYS C 31 -8.091 -12.086 -1.225 1.00 0.00 C ATOM 2222 NZ LYS C 31 -9.185 -12.398 -2.186 1.00 0.00 N ATOM 0 H LYS C 31 -2.465 -10.226 -3.118 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.202 -10.623 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.637 -10.100 -2.502 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.539 -11.810 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.601 -12.361 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.655 -10.662 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -7.332 -10.174 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -6.888 -11.495 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -7.645 -13.014 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -8.506 -11.577 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -9.899 -12.992 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.628 -11.513 -2.507 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -8.794 -12.907 -3.004 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.364 -13.318 -2.124 1.00 0.00 N ATOM 2237 CA GLN C 32 -1.975 -14.715 -1.989 1.00 0.00 C ATOM 2238 C GLN C 32 -0.761 -14.866 -1.075 1.00 0.00 C ATOM 2239 O GLN C 32 -0.738 -15.730 -0.200 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.671 -15.317 -3.360 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.579 -16.834 -3.351 1.00 0.00 C ATOM 2242 CD GLN C 32 -2.909 -17.499 -3.652 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -3.630 -17.908 -2.742 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -3.238 -17.609 -4.934 1.00 0.00 N ATOM 0 H GLN C 32 -2.283 -12.947 -3.070 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.811 -15.251 -1.539 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.448 -15.013 -4.062 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.731 -14.906 -3.728 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -0.842 -17.154 -4.087 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -1.222 -17.167 -2.376 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -2.608 -17.255 -5.654 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -4.120 -18.047 -5.198 1.00 0.00 H new ATOM 2253 N PHE C 33 0.241 -14.014 -1.276 1.00 0.00 N ATOM 2254 CA PHE C 33 1.457 -14.035 -0.469 1.00 0.00 C ATOM 2255 C PHE C 33 1.205 -13.628 0.985 1.00 0.00 C ATOM 2256 O PHE C 33 1.668 -14.296 1.910 1.00 0.00 O ATOM 2257 CB PHE C 33 2.519 -13.154 -1.159 1.00 0.00 C ATOM 2258 CG PHE C 33 3.600 -12.596 -0.271 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.419 -13.412 0.490 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.803 -11.225 -0.231 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.415 -12.865 1.284 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.794 -10.675 0.556 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.599 -11.493 1.318 1.00 0.00 C ATOM 0 H PHE C 33 0.233 -13.294 -1.998 1.00 0.00 H new ATOM 0 HA PHE C 33 1.829 -15.058 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE C 33 2.992 -13.741 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE C 33 2.010 -12.321 -1.644 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.281 -14.483 0.465 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.176 -10.577 -0.825 1.00 0.00 H new ATOM 0 HE1 PHE C 33 6.048 -13.509 1.876 1.00 0.00 H new ATOM 0 HE2 PHE C 33 4.938 -9.605 0.575 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.371 -11.065 1.940 1.00 0.00 H new ATOM 2273 N PHE C 34 0.475 -12.538 1.187 1.00 0.00 N ATOM 2274 CA PHE C 34 0.181 -12.062 2.536 1.00 0.00 C ATOM 2275 C PHE C 34 -0.876 -12.904 3.254 1.00 0.00 C ATOM 2276 O PHE C 34 -0.808 -13.076 4.470 1.00 0.00 O ATOM 2277 CB PHE C 34 -0.186 -10.579 2.518 1.00 0.00 C ATOM 2278 CG PHE C 34 1.038 -9.708 2.478 1.00 0.00 C ATOM 2279 CD1 PHE C 34 1.615 -9.344 1.272 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.638 -9.292 3.656 1.00 0.00 C ATOM 2281 CE1 PHE C 34 2.770 -8.584 1.244 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.786 -8.525 3.635 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.356 -8.174 2.427 1.00 0.00 C ATOM 0 H PHE C 34 0.077 -11.969 0.440 1.00 0.00 H new ATOM 0 HA PHE C 34 1.094 -12.180 3.120 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.812 -10.369 1.651 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.776 -10.339 3.402 1.00 0.00 H new ATOM 0 HD1 PHE C 34 1.158 -9.657 0.345 1.00 0.00 H new ATOM 0 HD2 PHE C 34 1.202 -9.572 4.604 1.00 0.00 H new ATOM 0 HE1 PHE C 34 3.214 -8.311 0.298 1.00 0.00 H new ATOM 0 HE2 PHE C 34 3.237 -8.200 4.561 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.258 -7.580 2.407 1.00 0.00 H new ATOM 2293 N ASN C 35 -1.836 -13.446 2.509 1.00 0.00 N ATOM 2294 CA ASN C 35 -2.874 -14.289 3.111 1.00 0.00 C ATOM 2295 C ASN C 35 -2.256 -15.466 3.873 1.00 0.00 C ATOM 2296 O ASN C 35 -2.812 -15.943 4.862 1.00 0.00 O ATOM 2297 CB ASN C 35 -3.854 -14.799 2.046 1.00 0.00 C ATOM 2298 CG ASN C 35 -4.949 -13.798 1.693 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -6.055 -14.193 1.326 1.00 0.00 O ATOM 2300 ND2 ASN C 35 -4.664 -12.502 1.806 1.00 0.00 N ATOM 0 H ASN C 35 -1.920 -13.321 1.500 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.427 -13.674 3.821 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.298 -15.049 1.143 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.316 -15.720 2.401 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -5.373 -11.803 1.585 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -3.737 -12.209 2.113 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.100 -15.919 3.402 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.375 -17.032 4.018 1.00 0.00 C ATOM 2309 C ASP C 36 0.038 -16.731 5.465 1.00 0.00 C ATOM 2310 O ASP C 36 0.376 -17.642 6.219 1.00 0.00 O ATOM 2311 CB ASP C 36 0.859 -17.380 3.186 1.00 0.00 C ATOM 2312 CG ASP C 36 0.504 -18.059 1.878 1.00 0.00 C ATOM 2313 OD1 ASP C 36 -0.545 -18.735 1.825 1.00 0.00 O ATOM 2314 OD2 ASP C 36 1.275 -17.915 0.905 1.00 0.00 O ATOM 0 H ASP C 36 -0.636 -15.527 2.582 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.055 -17.884 4.044 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.422 -16.470 2.978 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.512 -18.033 3.765 1.00 0.00 H new ATOM 2319 N ASN C 37 0.026 -15.453 5.844 1.00 0.00 N ATOM 2320 CA ASN C 37 0.414 -15.058 7.201 1.00 0.00 C ATOM 2321 C ASN C 37 -0.787 -14.617 8.040 1.00 0.00 C ATOM 2322 O ASN C 37 -0.719 -14.624 9.269 1.00 0.00 O ATOM 2323 CB ASN C 37 1.467 -13.951 7.162 1.00 0.00 C ATOM 2324 CG ASN C 37 0.945 -12.673 6.543 1.00 0.00 C ATOM 2325 OD1 ASN C 37 0.058 -12.020 7.092 1.00 0.00 O ATOM 2326 ND2 ASN C 37 1.497 -12.310 5.395 1.00 0.00 N ATOM 0 H ASN C 37 -0.245 -14.679 5.238 1.00 0.00 H new ATOM 0 HA ASN C 37 0.842 -15.939 7.679 1.00 0.00 H new ATOM 0 HB2 ASN C 37 1.810 -13.745 8.176 1.00 0.00 H new ATOM 0 HB3 ASN C 37 2.332 -14.297 6.597 1.00 0.00 H new ATOM 0 HD21 ASN C 37 1.189 -11.457 4.928 1.00 0.00 H new ATOM 0 HD22 ASN C 37 2.230 -12.884 4.977 1.00 0.00 H new ATOM 2333 N GLY C 38 -1.886 -14.248 7.384 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.074 -13.832 8.118 1.00 0.00 C ATOM 2335 C GLY C 38 -3.690 -12.528 7.629 1.00 0.00 C ATOM 2336 O GLY C 38 -4.525 -11.943 8.318 1.00 0.00 O ATOM 0 H GLY C 38 -1.977 -14.229 6.368 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -3.823 -14.621 8.051 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -2.817 -13.726 9.172 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.295 -12.068 6.444 1.00 0.00 N ATOM 2341 CA VAL C 39 -3.841 -10.831 5.894 1.00 0.00 C ATOM 2342 C VAL C 39 -5.087 -11.115 5.062 1.00 0.00 C ATOM 2343 O VAL C 39 -5.168 -12.137 4.381 1.00 0.00 O ATOM 2344 CB VAL C 39 -2.813 -10.085 5.025 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.341 -8.713 4.629 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.487 -9.962 5.759 1.00 0.00 C ATOM 0 H VAL C 39 -2.605 -12.529 5.851 1.00 0.00 H new ATOM 0 HA VAL C 39 -4.101 -10.197 6.742 1.00 0.00 H new ATOM 0 HB VAL C 39 -2.648 -10.660 4.114 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.600 -8.201 4.015 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.265 -8.828 4.062 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.537 -8.126 5.526 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -0.771 -9.432 5.131 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.635 -9.409 6.687 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.103 -10.957 5.987 1.00 0.00 H new ATOM 2356 N ASP C 40 -6.059 -10.213 5.128 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.303 -10.379 4.385 1.00 0.00 C ATOM 2358 C ASP C 40 -7.947 -9.027 4.086 1.00 0.00 C ATOM 2359 O ASP C 40 -7.404 -7.980 4.433 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.273 -11.252 5.180 1.00 0.00 C ATOM 2361 CG ASP C 40 -7.933 -12.727 5.090 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -7.125 -13.202 5.916 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -8.476 -13.408 4.193 1.00 0.00 O ATOM 0 H ASP C 40 -6.011 -9.361 5.687 1.00 0.00 H new ATOM 0 HA ASP C 40 -7.072 -10.865 3.437 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.262 -10.943 6.225 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.286 -11.093 4.811 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.111 -9.062 3.444 1.00 0.00 N ATOM 2369 CA GLY C 41 -9.816 -7.836 3.111 1.00 0.00 C ATOM 2370 C GLY C 41 -9.962 -7.630 1.615 1.00 0.00 C ATOM 2371 O GLY C 41 -10.123 -8.592 0.864 1.00 0.00 O ATOM 0 H GLY C 41 -9.579 -9.918 3.148 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -10.805 -7.855 3.569 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.283 -6.988 3.540 1.00 0.00 H new ATOM 2375 N GLU C 42 -9.910 -6.373 1.183 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.041 -6.045 -0.232 1.00 0.00 C ATOM 2377 C GLU C 42 -9.267 -4.776 -0.577 1.00 0.00 C ATOM 2378 O GLU C 42 -8.985 -3.953 0.293 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.516 -5.872 -0.600 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.279 -7.183 -0.690 1.00 0.00 C ATOM 2381 CD GLU C 42 -12.934 -7.569 0.623 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -13.440 -6.665 1.321 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -12.940 -8.773 0.952 1.00 0.00 O ATOM 0 H GLU C 42 -9.778 -5.566 1.793 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.621 -6.869 -0.809 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -11.994 -5.233 0.142 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.585 -5.355 -1.557 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -13.043 -7.102 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -11.597 -7.975 -0.998 1.00 0.00 H new ATOM 2390 N TRP C 43 -8.930 -4.628 -1.855 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.189 -3.461 -2.322 1.00 0.00 C ATOM 2392 C TRP C 43 -9.070 -2.223 -2.346 1.00 0.00 C ATOM 2393 O TRP C 43 -10.085 -2.177 -3.040 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.610 -3.720 -3.713 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.426 -4.638 -3.698 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.430 -5.984 -3.930 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.066 -4.280 -3.431 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.155 -6.483 -3.826 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.299 -5.457 -3.520 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.421 -3.077 -3.128 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -2.921 -5.466 -3.316 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -3.054 -3.087 -2.925 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.317 -4.275 -3.020 1.00 0.00 C ATOM 0 H TRP C 43 -9.158 -5.302 -2.586 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.371 -3.283 -1.623 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.385 -4.148 -4.348 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.319 -2.770 -4.161 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.307 -6.570 -4.161 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -4.888 -7.459 -3.955 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -4.981 -2.157 -3.054 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.350 -6.380 -3.389 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.545 -2.164 -2.689 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.250 -4.250 -2.856 1.00 0.00 H new ATOM 2414 N THR C 44 -8.664 -1.218 -1.582 1.00 0.00 N ATOM 2415 CA THR C 44 -9.400 0.032 -1.508 1.00 0.00 C ATOM 2416 C THR C 44 -8.581 1.170 -2.101 1.00 0.00 C ATOM 2417 O THR C 44 -7.370 1.259 -1.895 1.00 0.00 O ATOM 2418 CB THR C 44 -9.771 0.350 -0.060 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.608 0.533 0.728 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.605 -0.730 0.593 1.00 0.00 C ATOM 0 H THR C 44 -7.825 -1.247 -1.003 1.00 0.00 H new ATOM 0 HA THR C 44 -10.317 -0.077 -2.088 1.00 0.00 H new ATOM 0 HB THR C 44 -10.362 1.265 -0.107 1.00 0.00 H new ATOM 0 HG1 THR C 44 -7.818 0.539 0.148 1.00 0.00 H new ATOM 0 HG21 THR C 44 -10.834 -0.442 1.619 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.533 -0.859 0.037 1.00 0.00 H new ATOM 0 HG23 THR C 44 -10.049 -1.668 0.594 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.259 2.041 -2.829 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.616 3.190 -3.453 1.00 0.00 C ATOM 2430 C TYR C 45 -8.207 4.221 -2.406 1.00 0.00 C ATOM 2431 O TYR C 45 -8.922 4.445 -1.430 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.547 3.828 -4.484 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.559 3.106 -5.812 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.556 3.322 -6.748 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.571 2.208 -6.128 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.560 2.665 -7.963 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.582 1.546 -7.341 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.575 1.777 -8.255 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.583 1.120 -9.464 1.00 0.00 O ATOM 0 H TYR C 45 -10.262 1.975 -3.005 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.717 2.840 -3.959 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.560 3.851 -4.082 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.244 4.863 -4.644 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.759 4.015 -6.522 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.361 2.025 -5.415 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -7.773 2.845 -8.680 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.376 0.851 -7.572 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.365 0.531 -9.511 1.00 0.00 H new ATOM 2449 N ASP C 46 -7.051 4.845 -2.616 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.551 5.854 -1.688 1.00 0.00 C ATOM 2451 C ASP C 46 -7.363 7.139 -1.793 1.00 0.00 C ATOM 2452 O ASP C 46 -8.044 7.375 -2.790 1.00 0.00 O ATOM 2453 CB ASP C 46 -5.079 6.160 -1.975 1.00 0.00 C ATOM 2454 CG ASP C 46 -4.198 4.931 -1.900 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -4.605 3.877 -2.430 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -3.100 5.022 -1.312 1.00 0.00 O ATOM 0 H ASP C 46 -6.445 4.670 -3.418 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.648 5.456 -0.678 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -4.992 6.604 -2.967 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -4.721 6.902 -1.261 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.285 7.970 -0.758 1.00 0.00 N ATOM 2462 CA ASP C 47 -8.012 9.235 -0.741 1.00 0.00 C ATOM 2463 C ASP C 47 -7.470 10.178 -1.812 1.00 0.00 C ATOM 2464 O ASP C 47 -6.258 10.349 -1.945 1.00 0.00 O ATOM 2465 CB ASP C 47 -7.904 9.891 0.637 1.00 0.00 C ATOM 2466 CG ASP C 47 -8.964 10.952 0.858 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -10.064 10.822 0.280 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -8.695 11.913 1.608 1.00 0.00 O ATOM 0 H ASP C 47 -6.728 7.791 0.077 1.00 0.00 H new ATOM 0 HA ASP C 47 -9.061 9.031 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -7.994 9.126 1.408 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -6.917 10.340 0.746 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.375 10.777 -2.584 1.00 0.00 N ATOM 2474 CA ALA C 48 -7.989 11.691 -3.657 1.00 0.00 C ATOM 2475 C ALA C 48 -7.088 12.813 -3.152 1.00 0.00 C ATOM 2476 O ALA C 48 -7.306 13.367 -2.074 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.229 12.269 -4.322 1.00 0.00 C ATOM 0 H ALA C 48 -9.382 10.645 -2.486 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.419 11.119 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.930 12.949 -5.120 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.828 11.460 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -9.818 12.813 -3.583 1.00 0.00 H new ATOM 2483 N THR C 49 -6.079 13.145 -3.950 1.00 0.00 N ATOM 2484 CA THR C 49 -5.135 14.201 -3.606 1.00 0.00 C ATOM 2485 C THR C 49 -4.941 15.148 -4.788 1.00 0.00 C ATOM 2486 O THR C 49 -5.175 14.773 -5.937 1.00 0.00 O ATOM 2487 CB THR C 49 -3.792 13.601 -3.188 1.00 0.00 C ATOM 2488 OG1 THR C 49 -3.981 12.544 -2.266 1.00 0.00 O ATOM 2489 CG2 THR C 49 -2.861 14.608 -2.548 1.00 0.00 C ATOM 0 H THR C 49 -5.894 12.694 -4.846 1.00 0.00 H new ATOM 0 HA THR C 49 -5.542 14.766 -2.768 1.00 0.00 H new ATOM 0 HB THR C 49 -3.335 13.243 -4.111 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.111 12.172 -2.012 1.00 0.00 H new ATOM 0 HG21 THR C 49 -1.927 14.118 -2.275 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.656 15.413 -3.253 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.329 15.020 -1.654 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.520 16.377 -4.503 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.307 17.368 -5.552 1.00 0.00 C ATOM 2499 C LYS C 50 -2.887 17.926 -5.508 1.00 0.00 C ATOM 2500 O LYS C 50 -2.455 18.477 -4.495 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.318 18.508 -5.414 1.00 0.00 C ATOM 2502 CG LYS C 50 -6.618 18.261 -6.162 1.00 0.00 C ATOM 2503 CD LYS C 50 -7.688 19.265 -5.764 1.00 0.00 C ATOM 2504 CE LYS C 50 -9.067 18.624 -5.733 1.00 0.00 C ATOM 2505 NZ LYS C 50 -10.091 19.539 -5.158 1.00 0.00 N ATOM 0 H LYS C 50 -4.321 16.709 -3.559 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.449 16.873 -6.513 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -5.539 18.660 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -4.866 19.430 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -6.439 18.324 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -6.971 17.250 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -7.455 19.678 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -7.688 20.097 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -9.359 18.342 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -9.028 17.707 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -10.858 18.979 -4.734 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -9.653 20.135 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -10.479 20.143 -5.911 1.00 0.00 H new ATOM 2519 N THR C 51 -2.174 17.784 -6.620 1.00 0.00 N ATOM 2520 CA THR C 51 -0.804 18.275 -6.729 1.00 0.00 C ATOM 2521 C THR C 51 -0.750 19.482 -7.665 1.00 0.00 C ATOM 2522 O THR C 51 -1.246 19.427 -8.791 1.00 0.00 O ATOM 2523 CB THR C 51 0.118 17.156 -7.231 1.00 0.00 C ATOM 2524 OG1 THR C 51 0.190 16.110 -6.279 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.536 17.609 -7.514 1.00 0.00 C ATOM 0 H THR C 51 -2.524 17.330 -7.464 1.00 0.00 H new ATOM 0 HA THR C 51 -0.459 18.589 -5.744 1.00 0.00 H new ATOM 0 HB THR C 51 -0.327 16.822 -8.168 1.00 0.00 H new ATOM 0 HG1 THR C 51 0.780 15.403 -6.614 1.00 0.00 H new ATOM 0 HG21 THR C 51 2.125 16.762 -7.865 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.524 18.385 -8.280 1.00 0.00 H new ATOM 0 HG23 THR C 51 1.980 18.007 -6.601 1.00 0.00 H new ATOM 2533 N PHE C 52 -0.146 20.570 -7.195 1.00 0.00 N ATOM 2534 CA PHE C 52 -0.030 21.786 -7.996 1.00 0.00 C ATOM 2535 C PHE C 52 1.149 21.700 -8.960 1.00 0.00 C ATOM 2536 O PHE C 52 2.306 21.681 -8.538 1.00 0.00 O ATOM 2537 CB PHE C 52 0.125 23.009 -7.092 1.00 0.00 C ATOM 2538 CG PHE C 52 -0.198 24.305 -7.781 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -1.457 24.524 -8.317 1.00 0.00 C ATOM 2540 CD2 PHE C 52 0.758 25.302 -7.896 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -1.757 25.713 -8.954 1.00 0.00 C ATOM 2542 CE2 PHE C 52 0.464 26.494 -8.531 1.00 0.00 C ATOM 2543 CZ PHE C 52 -0.796 26.699 -9.061 1.00 0.00 C ATOM 0 H PHE C 52 0.270 20.635 -6.266 1.00 0.00 H new ATOM 0 HA PHE C 52 -0.945 21.888 -8.580 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.525 22.895 -6.225 1.00 0.00 H new ATOM 0 HB3 PHE C 52 1.149 23.049 -6.720 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -2.212 23.757 -8.236 1.00 0.00 H new ATOM 0 HD2 PHE C 52 1.744 25.146 -7.485 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -2.742 25.871 -9.368 1.00 0.00 H new ATOM 0 HE2 PHE C 52 1.217 27.264 -8.613 1.00 0.00 H new ATOM 0 HZ PHE C 52 -1.029 27.629 -9.558 1.00 0.00 H new ATOM 2553 N THR C 53 0.855 21.664 -10.254 1.00 0.00 N ATOM 2554 CA THR C 53 1.900 21.598 -11.270 1.00 0.00 C ATOM 2555 C THR C 53 2.295 23.001 -11.717 1.00 0.00 C ATOM 2556 O THR C 53 1.448 23.789 -12.138 1.00 0.00 O ATOM 2557 CB THR C 53 1.428 20.776 -12.470 1.00 0.00 C ATOM 2558 OG1 THR C 53 1.050 19.471 -12.067 1.00 0.00 O ATOM 2559 CG2 THR C 53 2.480 20.633 -13.550 1.00 0.00 C ATOM 0 H THR C 53 -0.095 21.679 -10.625 1.00 0.00 H new ATOM 0 HA THR C 53 2.773 21.110 -10.835 1.00 0.00 H new ATOM 0 HB THR C 53 0.581 21.326 -12.880 1.00 0.00 H new ATOM 0 HG1 THR C 53 0.283 19.526 -11.459 1.00 0.00 H new ATOM 0 HG21 THR C 53 2.080 20.039 -14.372 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.760 21.620 -13.918 1.00 0.00 H new ATOM 0 HG23 THR C 53 3.359 20.137 -13.138 1.00 0.00 H new ATOM 2567 N VAL C 54 3.583 23.314 -11.617 1.00 0.00 N ATOM 2568 CA VAL C 54 4.077 24.629 -12.008 1.00 0.00 C ATOM 2569 C VAL C 54 4.048 24.799 -13.522 1.00 0.00 C ATOM 2570 O VAL C 54 4.063 23.819 -14.267 1.00 0.00 O ATOM 2571 CB VAL C 54 5.514 24.878 -11.511 1.00 0.00 C ATOM 2572 CG1 VAL C 54 5.877 26.348 -11.652 1.00 0.00 C ATOM 2573 CG2 VAL C 54 5.679 24.419 -10.070 1.00 0.00 C ATOM 0 H VAL C 54 4.301 22.678 -11.270 1.00 0.00 H new ATOM 0 HA VAL C 54 3.412 25.356 -11.542 1.00 0.00 H new ATOM 0 HB VAL C 54 6.195 24.293 -12.129 1.00 0.00 H new ATOM 0 HG11 VAL C 54 6.895 26.507 -11.297 1.00 0.00 H new ATOM 0 HG12 VAL C 54 5.808 26.641 -12.700 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.188 26.951 -11.061 1.00 0.00 H new ATOM 0 HG21 VAL C 54 6.702 24.606 -9.743 1.00 0.00 H new ATOM 0 HG22 VAL C 54 4.988 24.969 -9.431 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.465 23.352 -10.001 1.00 0.00 H new ATOM 2583 N THR C 55 4.008 26.049 -13.972 1.00 0.00 N ATOM 2584 CA THR C 55 3.979 26.342 -15.401 1.00 0.00 C ATOM 2585 C THR C 55 4.777 27.603 -15.728 1.00 0.00 C ATOM 2586 O THR C 55 5.901 27.523 -16.226 1.00 0.00 O ATOM 2587 CB THR C 55 2.534 26.481 -15.889 1.00 0.00 C ATOM 2588 OG1 THR C 55 1.791 25.314 -15.585 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.426 26.713 -17.381 1.00 0.00 C ATOM 0 H THR C 55 3.995 26.873 -13.371 1.00 0.00 H new ATOM 0 HA THR C 55 4.447 25.507 -15.922 1.00 0.00 H new ATOM 0 HB THR C 55 2.136 27.353 -15.371 1.00 0.00 H new ATOM 0 HG1 THR C 55 0.923 25.352 -16.038 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.376 26.802 -17.660 1.00 0.00 H new ATOM 0 HG22 THR C 55 2.951 27.631 -17.645 1.00 0.00 H new ATOM 0 HG23 THR C 55 2.873 25.873 -17.913 1.00 0.00 H new ATOM 2597 N GLU C 56 4.193 28.764 -15.449 1.00 0.00 N ATOM 2598 CA GLU C 56 4.854 30.041 -15.716 1.00 0.00 C ATOM 2599 C GLU C 56 3.968 31.210 -15.302 1.00 0.00 C ATOM 2600 O GLU C 56 2.773 31.204 -15.666 1.00 0.00 O ATOM 2601 CB GLU C 56 5.211 30.162 -17.200 1.00 0.00 C ATOM 2602 CG GLU C 56 4.076 29.771 -18.131 1.00 0.00 C ATOM 2603 CD GLU C 56 4.557 29.428 -19.526 1.00 0.00 C ATOM 2604 OE1 GLU C 56 5.414 30.164 -20.057 1.00 0.00 O ATOM 2605 OE2 GLU C 56 4.077 28.420 -20.088 1.00 0.00 O ATOM 2606 OXT GLU C 56 4.476 32.124 -14.618 1.00 0.00 O ATOM 0 H GLU C 56 3.263 28.849 -15.038 1.00 0.00 H new ATOM 0 HA GLU C 56 5.770 30.072 -15.126 1.00 0.00 H new ATOM 0 HB2 GLU C 56 5.506 31.190 -17.412 1.00 0.00 H new ATOM 0 HB3 GLU C 56 6.076 29.532 -17.410 1.00 0.00 H new ATOM 0 HG2 GLU C 56 3.547 28.915 -17.713 1.00 0.00 H new ATOM 0 HG3 GLU C 56 3.360 30.591 -18.189 1.00 0.00 H new ATOM 2614 N MET D 1 0.796 2.302 -12.219 1.00 0.00 N ATOM 2615 CA MET D 1 -0.105 2.343 -11.037 1.00 0.00 C ATOM 2616 C MET D 1 0.686 2.249 -9.738 1.00 0.00 C ATOM 2617 O MET D 1 1.496 1.342 -9.558 1.00 0.00 O ATOM 2618 CB MET D 1 -1.096 1.183 -11.138 1.00 0.00 C ATOM 2619 CG MET D 1 -2.346 1.519 -11.934 1.00 0.00 C ATOM 2620 SD MET D 1 -3.725 2.018 -10.885 1.00 0.00 S ATOM 2621 CE MET D 1 -2.948 3.282 -9.883 1.00 0.00 C ATOM 0 H1 MET D 1 0.228 2.334 -13.090 1.00 0.00 H new ATOM 0 H2 MET D 1 1.438 3.120 -12.195 1.00 0.00 H new ATOM 0 H3 MET D 1 1.353 1.424 -12.201 1.00 0.00 H new ATOM 0 HA MET D 1 -0.639 3.293 -11.027 1.00 0.00 H new ATOM 0 HB2 MET D 1 -0.599 0.330 -11.601 1.00 0.00 H new ATOM 0 HB3 MET D 1 -1.387 0.876 -10.133 1.00 0.00 H new ATOM 0 HG2 MET D 1 -2.120 2.321 -12.636 1.00 0.00 H new ATOM 0 HG3 MET D 1 -2.640 0.652 -12.525 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.705 3.786 -9.282 1.00 0.00 H new ATOM 0 HE2 MET D 1 -2.210 2.823 -9.226 1.00 0.00 H new ATOM 0 HE3 MET D 1 -2.456 4.008 -10.530 1.00 0.00 H new ATOM 2633 N GLN D 2 0.433 3.189 -8.833 1.00 0.00 N ATOM 2634 CA GLN D 2 1.115 3.212 -7.543 1.00 0.00 C ATOM 2635 C GLN D 2 0.350 2.381 -6.521 1.00 0.00 C ATOM 2636 O GLN D 2 -0.827 2.633 -6.259 1.00 0.00 O ATOM 2637 CB GLN D 2 1.266 4.651 -7.044 1.00 0.00 C ATOM 2638 CG GLN D 2 2.330 4.813 -5.970 1.00 0.00 C ATOM 2639 CD GLN D 2 2.579 6.265 -5.611 1.00 0.00 C ATOM 2640 OE1 GLN D 2 3.295 6.977 -6.315 1.00 0.00 O ATOM 2641 NE2 GLN D 2 1.989 6.711 -4.508 1.00 0.00 N ATOM 0 H GLN D 2 -0.239 3.945 -8.969 1.00 0.00 H new ATOM 0 HA GLN D 2 2.108 2.780 -7.672 1.00 0.00 H new ATOM 0 HB2 GLN D 2 1.512 5.296 -7.888 1.00 0.00 H new ATOM 0 HB3 GLN D 2 0.309 4.993 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN D 2 2.025 4.269 -5.076 1.00 0.00 H new ATOM 0 HG3 GLN D 2 3.261 4.363 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN D 2 1.404 6.086 -3.954 1.00 0.00 H new ATOM 0 HE22 GLN D 2 2.121 7.679 -4.215 1.00 0.00 H new ATOM 2650 N TYR D 3 1.020 1.383 -5.953 1.00 0.00 N ATOM 2651 CA TYR D 3 0.393 0.509 -4.969 1.00 0.00 C ATOM 2652 C TYR D 3 0.927 0.760 -3.562 1.00 0.00 C ATOM 2653 O TYR D 3 2.137 0.846 -3.344 1.00 0.00 O ATOM 2654 CB TYR D 3 0.601 -0.955 -5.355 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.359 -1.438 -6.418 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -1.635 -1.873 -6.081 1.00 0.00 C ATOM 2657 CD2 TYR D 3 0.009 -1.457 -7.757 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -2.517 -2.312 -7.049 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -0.868 -1.894 -8.731 1.00 0.00 C ATOM 2660 CZ TYR D 3 -2.130 -2.321 -8.372 1.00 0.00 C ATOM 2661 OH TYR D 3 -3.005 -2.757 -9.339 1.00 0.00 O ATOM 0 H TYR D 3 1.994 1.160 -6.157 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.673 0.735 -4.963 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.623 -1.087 -5.711 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.490 -1.577 -4.466 1.00 0.00 H new ATOM 0 HD1 TYR D 3 -1.942 -1.868 -5.046 1.00 0.00 H new ATOM 0 HD2 TYR D 3 0.997 -1.125 -8.041 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -3.505 -2.647 -6.771 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -0.567 -1.901 -9.768 1.00 0.00 H new ATOM 0 HH TYR D 3 -3.390 -3.617 -9.068 1.00 0.00 H new ATOM 2671 N LYS D 4 0.000 0.876 -2.617 1.00 0.00 N ATOM 2672 CA LYS D 4 0.344 1.118 -1.220 1.00 0.00 C ATOM 2673 C LYS D 4 0.135 -0.138 -0.377 1.00 0.00 C ATOM 2674 O LYS D 4 -0.924 -0.763 -0.425 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.497 2.269 -0.660 1.00 0.00 C ATOM 2676 CG LYS D 4 0.162 3.631 -0.806 1.00 0.00 C ATOM 2677 CD LYS D 4 -0.456 4.652 0.137 1.00 0.00 C ATOM 2678 CE LYS D 4 -0.278 6.070 -0.382 1.00 0.00 C ATOM 2679 NZ LYS D 4 -0.622 7.087 0.649 1.00 0.00 N ATOM 0 H LYS D 4 -1.002 0.806 -2.795 1.00 0.00 H new ATOM 0 HA LYS D 4 1.399 1.389 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -1.461 2.285 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -0.696 2.082 0.395 1.00 0.00 H new ATOM 0 HG2 LYS D 4 1.229 3.544 -0.601 1.00 0.00 H new ATOM 0 HG3 LYS D 4 0.062 3.977 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS D 4 -1.518 4.439 0.260 1.00 0.00 H new ATOM 0 HD3 LYS D 4 0.003 4.564 1.122 1.00 0.00 H new ATOM 0 HE2 LYS D 4 0.754 6.212 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS D 4 -0.907 6.217 -1.260 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 -0.329 8.029 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 -1.649 7.081 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 -0.129 6.862 1.536 1.00 0.00 H new ATOM 2693 N VAL D 5 1.154 -0.494 0.400 1.00 0.00 N ATOM 2694 CA VAL D 5 1.087 -1.670 1.264 1.00 0.00 C ATOM 2695 C VAL D 5 1.792 -1.405 2.589 1.00 0.00 C ATOM 2696 O VAL D 5 2.961 -1.020 2.611 1.00 0.00 O ATOM 2697 CB VAL D 5 1.714 -2.906 0.592 1.00 0.00 C ATOM 2698 CG1 VAL D 5 1.441 -4.156 1.414 1.00 0.00 C ATOM 2699 CG2 VAL D 5 1.189 -3.069 -0.826 1.00 0.00 C ATOM 0 H VAL D 5 2.037 0.015 0.450 1.00 0.00 H new ATOM 0 HA VAL D 5 0.032 -1.873 1.447 1.00 0.00 H new ATOM 0 HB VAL D 5 2.793 -2.759 0.541 1.00 0.00 H new ATOM 0 HG11 VAL D 5 1.891 -5.019 0.924 1.00 0.00 H new ATOM 0 HG12 VAL D 5 1.871 -4.038 2.409 1.00 0.00 H new ATOM 0 HG13 VAL D 5 0.365 -4.308 1.499 1.00 0.00 H new ATOM 0 HG21 VAL D 5 1.644 -3.948 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL D 5 0.106 -3.192 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL D 5 1.440 -2.184 -1.411 1.00 0.00 H new ATOM 2709 N ILE D 6 1.077 -1.607 3.693 1.00 0.00 N ATOM 2710 CA ILE D 6 1.645 -1.382 5.018 1.00 0.00 C ATOM 2711 C ILE D 6 2.123 -2.684 5.658 1.00 0.00 C ATOM 2712 O ILE D 6 1.325 -3.581 5.930 1.00 0.00 O ATOM 2713 CB ILE D 6 0.621 -0.713 5.960 1.00 0.00 C ATOM 2714 CG1 ILE D 6 -0.064 0.466 5.264 1.00 0.00 C ATOM 2715 CG2 ILE D 6 1.305 -0.252 7.239 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -1.306 0.951 5.981 1.00 0.00 C ATOM 0 H ILE D 6 0.108 -1.925 3.696 1.00 0.00 H new ATOM 0 HA ILE D 6 2.499 -0.720 4.878 1.00 0.00 H new ATOM 0 HB ILE D 6 -0.142 -1.447 6.218 1.00 0.00 H new ATOM 0 HG12 ILE D 6 0.644 1.291 5.182 1.00 0.00 H new ATOM 0 HG13 ILE D 6 -0.331 0.173 4.249 1.00 0.00 H new ATOM 0 HG21 ILE D 6 0.572 0.218 7.895 1.00 0.00 H new ATOM 0 HG22 ILE D 6 1.747 -1.110 7.745 1.00 0.00 H new ATOM 0 HG23 ILE D 6 2.087 0.467 6.995 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -1.740 1.787 5.433 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -2.032 0.140 6.040 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -1.042 1.275 6.988 1.00 0.00 H new ATOM 2728 N LEU D 7 3.426 -2.774 5.916 1.00 0.00 N ATOM 2729 CA LEU D 7 4.002 -3.960 6.547 1.00 0.00 C ATOM 2730 C LEU D 7 4.497 -3.618 7.952 1.00 0.00 C ATOM 2731 O LEU D 7 5.323 -2.722 8.127 1.00 0.00 O ATOM 2732 CB LEU D 7 5.148 -4.529 5.698 1.00 0.00 C ATOM 2733 CG LEU D 7 4.751 -5.676 4.757 1.00 0.00 C ATOM 2734 CD1 LEU D 7 4.476 -5.148 3.357 1.00 0.00 C ATOM 2735 CD2 LEU D 7 5.833 -6.751 4.722 1.00 0.00 C ATOM 0 H LEU D 7 4.102 -2.042 5.698 1.00 0.00 H new ATOM 0 HA LEU D 7 3.226 -4.722 6.622 1.00 0.00 H new ATOM 0 HB2 LEU D 7 5.574 -3.722 5.103 1.00 0.00 H new ATOM 0 HB3 LEU D 7 5.934 -4.882 6.366 1.00 0.00 H new ATOM 0 HG LEU D 7 3.837 -6.128 5.141 1.00 0.00 H new ATOM 0 HD11 LEU D 7 4.196 -5.975 2.705 1.00 0.00 H new ATOM 0 HD12 LEU D 7 3.662 -4.424 3.395 1.00 0.00 H new ATOM 0 HD13 LEU D 7 5.373 -4.666 2.967 1.00 0.00 H new ATOM 0 HD21 LEU D 7 5.528 -7.552 4.049 1.00 0.00 H new ATOM 0 HD22 LEU D 7 6.767 -6.315 4.368 1.00 0.00 H new ATOM 0 HD23 LEU D 7 5.978 -7.155 5.724 1.00 0.00 H new ATOM 2950 N ASP D 22 7.020 -8.420 7.646 1.00 0.00 N ATOM 2951 CA ASP D 22 8.216 -7.664 8.005 1.00 0.00 C ATOM 2952 C ASP D 22 8.681 -6.787 6.855 1.00 0.00 C ATOM 2953 O ASP D 22 8.547 -7.141 5.686 1.00 0.00 O ATOM 2954 CB ASP D 22 9.337 -8.619 8.413 1.00 0.00 C ATOM 2955 CG ASP D 22 10.448 -7.920 9.171 1.00 0.00 C ATOM 2956 OD1 ASP D 22 10.167 -6.894 9.825 1.00 0.00 O ATOM 2957 OD2 ASP D 22 11.600 -8.399 9.110 1.00 0.00 O ATOM 0 HA ASP D 22 7.964 -7.018 8.846 1.00 0.00 H new ATOM 0 HB2 ASP D 22 8.924 -9.415 9.032 1.00 0.00 H new ATOM 0 HB3 ASP D 22 9.751 -9.091 7.522 1.00 0.00 H new ATOM 2962 N ALA D 23 9.230 -5.637 7.204 1.00 0.00 N ATOM 2963 CA ALA D 23 9.729 -4.690 6.220 1.00 0.00 C ATOM 2964 C ALA D 23 10.669 -5.374 5.223 1.00 0.00 C ATOM 2965 O ALA D 23 10.589 -5.142 4.016 1.00 0.00 O ATOM 2966 CB ALA D 23 10.427 -3.557 6.947 1.00 0.00 C ATOM 0 H ALA D 23 9.343 -5.334 8.171 1.00 0.00 H new ATOM 0 HA ALA D 23 8.895 -4.290 5.644 1.00 0.00 H new ATOM 0 HB1 ALA D 23 10.807 -2.838 6.221 1.00 0.00 H new ATOM 0 HB2 ALA D 23 9.720 -3.062 7.612 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.257 -3.956 7.531 1.00 0.00 H new ATOM 2972 N ALA D 24 11.550 -6.225 5.741 1.00 0.00 N ATOM 2973 CA ALA D 24 12.498 -6.960 4.911 1.00 0.00 C ATOM 2974 C ALA D 24 11.789 -8.005 4.051 1.00 0.00 C ATOM 2975 O ALA D 24 12.241 -8.330 2.953 1.00 0.00 O ATOM 2976 CB ALA D 24 13.557 -7.620 5.781 1.00 0.00 C ATOM 0 H ALA D 24 11.627 -6.423 6.739 1.00 0.00 H new ATOM 0 HA ALA D 24 12.982 -6.249 4.241 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.258 -8.165 5.150 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.094 -6.856 6.344 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.079 -8.312 6.474 1.00 0.00 H new ATOM 2982 N THR D 25 10.676 -8.530 4.560 1.00 0.00 N ATOM 2983 CA THR D 25 9.904 -9.543 3.842 1.00 0.00 C ATOM 2984 C THR D 25 9.386 -8.981 2.522 1.00 0.00 C ATOM 2985 O THR D 25 9.368 -9.669 1.502 1.00 0.00 O ATOM 2986 CB THR D 25 8.734 -10.029 4.716 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.213 -10.750 5.836 1.00 0.00 O ATOM 2988 CG2 THR D 25 7.744 -10.921 3.992 1.00 0.00 C ATOM 0 H THR D 25 10.288 -8.271 5.467 1.00 0.00 H new ATOM 0 HA THR D 25 10.554 -10.390 3.622 1.00 0.00 H new ATOM 0 HB THR D 25 8.214 -9.118 5.012 1.00 0.00 H new ATOM 0 HG1 THR D 25 8.455 -11.049 6.381 1.00 0.00 H new ATOM 0 HG21 THR D 25 6.952 -11.219 4.679 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.311 -10.377 3.153 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.257 -11.809 3.623 1.00 0.00 H new ATOM 2996 N PHE D 26 8.990 -7.716 2.547 1.00 0.00 N ATOM 2997 CA PHE D 26 8.496 -7.053 1.348 1.00 0.00 C ATOM 2998 C PHE D 26 9.617 -6.855 0.332 1.00 0.00 C ATOM 2999 O PHE D 26 9.461 -7.158 -0.850 1.00 0.00 O ATOM 3000 CB PHE D 26 7.860 -5.706 1.692 1.00 0.00 C ATOM 3001 CG PHE D 26 6.936 -5.201 0.622 1.00 0.00 C ATOM 3002 CD1 PHE D 26 5.759 -5.872 0.332 1.00 0.00 C ATOM 3003 CD2 PHE D 26 7.249 -4.062 -0.100 1.00 0.00 C ATOM 3004 CE1 PHE D 26 4.910 -5.413 -0.656 1.00 0.00 C ATOM 3005 CE2 PHE D 26 6.404 -3.598 -1.091 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.232 -4.275 -1.368 1.00 0.00 C ATOM 0 H PHE D 26 9.001 -7.130 3.382 1.00 0.00 H new ATOM 0 HA PHE D 26 7.735 -7.696 0.906 1.00 0.00 H new ATOM 0 HB2 PHE D 26 7.307 -5.800 2.627 1.00 0.00 H new ATOM 0 HB3 PHE D 26 8.648 -4.971 1.860 1.00 0.00 H new ATOM 0 HD1 PHE D 26 5.503 -6.764 0.885 1.00 0.00 H new ATOM 0 HD2 PHE D 26 8.164 -3.530 0.113 1.00 0.00 H new ATOM 0 HE1 PHE D 26 3.995 -5.944 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE D 26 6.660 -2.708 -1.647 1.00 0.00 H new ATOM 0 HZ PHE D 26 4.569 -3.914 -2.140 1.00 0.00 H new ATOM 3016 N GLU D 27 10.742 -6.328 0.803 1.00 0.00 N ATOM 3017 CA GLU D 27 11.894 -6.064 -0.059 1.00 0.00 C ATOM 3018 C GLU D 27 12.336 -7.306 -0.832 1.00 0.00 C ATOM 3019 O GLU D 27 12.484 -7.265 -2.053 1.00 0.00 O ATOM 3020 CB GLU D 27 13.062 -5.536 0.776 1.00 0.00 C ATOM 3021 CG GLU D 27 12.787 -4.187 1.422 1.00 0.00 C ATOM 3022 CD GLU D 27 14.029 -3.574 2.039 1.00 0.00 C ATOM 3023 OE1 GLU D 27 14.863 -3.032 1.281 1.00 0.00 O ATOM 3024 OE2 GLU D 27 14.168 -3.633 3.279 1.00 0.00 O ATOM 0 H GLU D 27 10.883 -6.074 1.781 1.00 0.00 H new ATOM 0 HA GLU D 27 11.587 -5.314 -0.788 1.00 0.00 H new ATOM 0 HB2 GLU D 27 13.298 -6.261 1.555 1.00 0.00 H new ATOM 0 HB3 GLU D 27 13.944 -5.452 0.140 1.00 0.00 H new ATOM 0 HG2 GLU D 27 12.383 -3.505 0.674 1.00 0.00 H new ATOM 0 HG3 GLU D 27 12.024 -4.305 2.191 1.00 0.00 H new ATOM 3031 N LYS D 28 12.578 -8.397 -0.114 1.00 0.00 N ATOM 3032 CA LYS D 28 13.042 -9.635 -0.735 1.00 0.00 C ATOM 3033 C LYS D 28 11.980 -10.281 -1.625 1.00 0.00 C ATOM 3034 O LYS D 28 12.272 -10.675 -2.754 1.00 0.00 O ATOM 3035 CB LYS D 28 13.484 -10.627 0.342 1.00 0.00 C ATOM 3036 CG LYS D 28 14.303 -11.788 -0.198 1.00 0.00 C ATOM 3037 CD LYS D 28 14.399 -12.921 0.810 1.00 0.00 C ATOM 3038 CE LYS D 28 13.056 -13.601 1.014 1.00 0.00 C ATOM 3039 NZ LYS D 28 13.203 -15.064 1.245 1.00 0.00 N ATOM 0 H LYS D 28 12.461 -8.451 0.898 1.00 0.00 H new ATOM 0 HA LYS D 28 13.886 -9.374 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS D 28 14.071 -10.098 1.093 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.601 -11.020 0.846 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.850 -12.156 -1.118 1.00 0.00 H new ATOM 0 HG3 LYS D 28 15.304 -11.441 -0.452 1.00 0.00 H new ATOM 0 HD2 LYS D 28 15.130 -13.653 0.467 1.00 0.00 H new ATOM 0 HD3 LYS D 28 14.759 -12.532 1.762 1.00 0.00 H new ATOM 0 HE2 LYS D 28 12.546 -13.149 1.865 1.00 0.00 H new ATOM 0 HE3 LYS D 28 12.428 -13.433 0.139 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 12.264 -15.490 1.380 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 13.667 -15.500 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 13.781 -15.225 2.094 1.00 0.00 H new ATOM 3053 N VAL D 29 10.756 -10.398 -1.120 1.00 0.00 N ATOM 3054 CA VAL D 29 9.671 -11.010 -1.886 1.00 0.00 C ATOM 3055 C VAL D 29 9.339 -10.220 -3.151 1.00 0.00 C ATOM 3056 O VAL D 29 9.101 -10.802 -4.207 1.00 0.00 O ATOM 3057 CB VAL D 29 8.391 -11.156 -1.030 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.250 -11.769 -1.840 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.677 -11.991 0.209 1.00 0.00 C ATOM 0 H VAL D 29 10.489 -10.079 -0.188 1.00 0.00 H new ATOM 0 HA VAL D 29 10.027 -11.998 -2.179 1.00 0.00 H new ATOM 0 HB VAL D 29 8.078 -10.160 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.364 -11.859 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL D 29 7.025 -11.130 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.545 -12.757 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.767 -12.085 0.802 1.00 0.00 H new ATOM 0 HG22 VAL D 29 9.019 -12.982 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.450 -11.505 0.805 1.00 0.00 H new ATOM 3069 N VAL D 30 9.312 -8.897 -3.038 1.00 0.00 N ATOM 3070 CA VAL D 30 8.986 -8.046 -4.179 1.00 0.00 C ATOM 3071 C VAL D 30 10.091 -8.063 -5.231 1.00 0.00 C ATOM 3072 O VAL D 30 9.813 -8.205 -6.422 1.00 0.00 O ATOM 3073 CB VAL D 30 8.692 -6.593 -3.744 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.337 -5.718 -4.940 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.567 -6.568 -2.720 1.00 0.00 C ATOM 0 H VAL D 30 9.510 -8.392 -2.174 1.00 0.00 H new ATOM 0 HA VAL D 30 8.082 -8.460 -4.625 1.00 0.00 H new ATOM 0 HB VAL D 30 9.596 -6.189 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL D 30 8.136 -4.702 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL D 30 9.170 -5.707 -5.643 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.451 -6.118 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.369 -5.538 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.666 -6.998 -3.158 1.00 0.00 H new ATOM 0 HG23 VAL D 30 7.858 -7.150 -1.845 1.00 0.00 H new ATOM 3085 N LYS D 31 11.339 -7.932 -4.802 1.00 0.00 N ATOM 3086 CA LYS D 31 12.460 -7.945 -5.732 1.00 0.00 C ATOM 3087 C LYS D 31 12.551 -9.293 -6.439 1.00 0.00 C ATOM 3088 O LYS D 31 12.727 -9.359 -7.655 1.00 0.00 O ATOM 3089 CB LYS D 31 13.765 -7.655 -4.989 1.00 0.00 C ATOM 3090 CG LYS D 31 14.914 -7.255 -5.900 1.00 0.00 C ATOM 3091 CD LYS D 31 16.168 -6.932 -5.103 1.00 0.00 C ATOM 3092 CE LYS D 31 17.427 -7.219 -5.904 1.00 0.00 C ATOM 3093 NZ LYS D 31 18.609 -7.433 -5.023 1.00 0.00 N ATOM 0 H LYS D 31 11.600 -7.816 -3.823 1.00 0.00 H new ATOM 0 HA LYS D 31 12.298 -7.169 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.591 -6.857 -4.267 1.00 0.00 H new ATOM 0 HB3 LYS D 31 14.054 -8.540 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS D 31 15.124 -8.064 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS D 31 14.625 -6.388 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS D 31 16.154 -5.882 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS D 31 16.178 -7.519 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS D 31 17.270 -8.103 -6.522 1.00 0.00 H new ATOM 0 HE3 LYS D 31 17.624 -6.388 -6.581 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 19.447 -7.626 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 18.774 -6.580 -4.451 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 18.432 -8.242 -4.395 1.00 0.00 H new ATOM 3107 N GLN D 32 12.419 -10.363 -5.667 1.00 0.00 N ATOM 3108 CA GLN D 32 12.477 -11.711 -6.216 1.00 0.00 C ATOM 3109 C GLN D 32 11.331 -11.962 -7.191 1.00 0.00 C ATOM 3110 O GLN D 32 11.537 -12.498 -8.279 1.00 0.00 O ATOM 3111 CB GLN D 32 12.440 -12.745 -5.090 1.00 0.00 C ATOM 3112 CG GLN D 32 12.819 -14.146 -5.540 1.00 0.00 C ATOM 3113 CD GLN D 32 14.301 -14.426 -5.387 1.00 0.00 C ATOM 3114 OE1 GLN D 32 15.069 -14.309 -6.342 1.00 0.00 O ATOM 3115 NE2 GLN D 32 14.711 -14.797 -4.180 1.00 0.00 N ATOM 0 H GLN D 32 12.271 -10.324 -4.659 1.00 0.00 H new ATOM 0 HA GLN D 32 13.416 -11.808 -6.762 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.118 -12.431 -4.297 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.438 -12.768 -4.662 1.00 0.00 H new ATOM 0 HG2 GLN D 32 12.253 -14.875 -4.960 1.00 0.00 H new ATOM 0 HG3 GLN D 32 12.534 -14.278 -6.584 1.00 0.00 H new ATOM 0 HE21 GLN D 32 14.040 -14.881 -3.417 1.00 0.00 H new ATOM 0 HE22 GLN D 32 15.697 -14.998 -4.016 1.00 0.00 H new ATOM 3124 N PHE D 33 10.123 -11.564 -6.800 1.00 0.00 N ATOM 3125 CA PHE D 33 8.938 -11.729 -7.635 1.00 0.00 C ATOM 3126 C PHE D 33 8.982 -10.864 -8.897 1.00 0.00 C ATOM 3127 O PHE D 33 8.706 -11.345 -9.996 1.00 0.00 O ATOM 3128 CB PHE D 33 7.687 -11.460 -6.772 1.00 0.00 C ATOM 3129 CG PHE D 33 6.446 -11.036 -7.510 1.00 0.00 C ATOM 3130 CD1 PHE D 33 5.885 -11.811 -8.512 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.826 -9.845 -7.164 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.733 -11.398 -9.160 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.677 -9.429 -7.805 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.130 -10.202 -8.806 1.00 0.00 C ATOM 0 H PHE D 33 9.939 -11.120 -5.900 1.00 0.00 H new ATOM 0 HA PHE D 33 8.901 -12.754 -8.004 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.458 -12.365 -6.210 1.00 0.00 H new ATOM 0 HB3 PHE D 33 7.933 -10.687 -6.044 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.350 -12.745 -8.790 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.249 -9.233 -6.381 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.305 -12.008 -9.941 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.207 -8.499 -7.522 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.234 -9.876 -9.313 1.00 0.00 H new ATOM 3144 N PHE D 34 9.325 -9.590 -8.741 1.00 0.00 N ATOM 3145 CA PHE D 34 9.391 -8.679 -9.881 1.00 0.00 C ATOM 3146 C PHE D 34 10.623 -8.907 -10.760 1.00 0.00 C ATOM 3147 O PHE D 34 10.554 -8.733 -11.978 1.00 0.00 O ATOM 3148 CB PHE D 34 9.282 -7.227 -9.418 1.00 0.00 C ATOM 3149 CG PHE D 34 7.851 -6.830 -9.185 1.00 0.00 C ATOM 3150 CD1 PHE D 34 7.248 -7.031 -7.954 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.096 -6.298 -10.219 1.00 0.00 C ATOM 3152 CE1 PHE D 34 5.917 -6.709 -7.762 1.00 0.00 C ATOM 3153 CE2 PHE D 34 5.769 -5.967 -10.029 1.00 0.00 C ATOM 3154 CZ PHE D 34 5.176 -6.176 -8.801 1.00 0.00 C ATOM 0 H PHE D 34 9.560 -9.166 -7.844 1.00 0.00 H new ATOM 0 HA PHE D 34 8.533 -8.900 -10.516 1.00 0.00 H new ATOM 0 HB2 PHE D 34 9.852 -7.093 -8.499 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.726 -6.571 -10.167 1.00 0.00 H new ATOM 0 HD1 PHE D 34 7.822 -7.443 -7.137 1.00 0.00 H new ATOM 0 HD2 PHE D 34 7.552 -6.140 -11.185 1.00 0.00 H new ATOM 0 HE1 PHE D 34 5.456 -6.874 -6.800 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.196 -5.545 -10.841 1.00 0.00 H new ATOM 0 HZ PHE D 34 4.136 -5.924 -8.652 1.00 0.00 H new ATOM 3164 N ASN D 35 11.738 -9.314 -10.160 1.00 0.00 N ATOM 3165 CA ASN D 35 12.957 -9.581 -10.930 1.00 0.00 C ATOM 3166 C ASN D 35 12.700 -10.619 -12.028 1.00 0.00 C ATOM 3167 O ASN D 35 13.329 -10.592 -13.086 1.00 0.00 O ATOM 3168 CB ASN D 35 14.096 -10.044 -10.014 1.00 0.00 C ATOM 3169 CG ASN D 35 14.841 -8.899 -9.337 1.00 0.00 C ATOM 3170 OD1 ASN D 35 16.032 -9.020 -9.047 1.00 0.00 O ATOM 3171 ND2 ASN D 35 14.165 -7.782 -9.086 1.00 0.00 N ATOM 0 H ASN D 35 11.827 -9.466 -9.155 1.00 0.00 H new ATOM 0 HA ASN D 35 13.257 -8.647 -11.406 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.689 -10.704 -9.248 1.00 0.00 H new ATOM 0 HB3 ASN D 35 14.804 -10.632 -10.598 1.00 0.00 H new ATOM 0 HD21 ASN D 35 14.632 -6.992 -8.640 1.00 0.00 H new ATOM 0 HD22 ASN D 35 13.179 -7.715 -9.339 1.00 0.00 H new ATOM 3178 N ASP D 36 11.765 -11.525 -11.764 1.00 0.00 N ATOM 3179 CA ASP D 36 11.393 -12.579 -12.709 1.00 0.00 C ATOM 3180 C ASP D 36 10.837 -12.015 -14.024 1.00 0.00 C ATOM 3181 O ASP D 36 10.766 -12.727 -15.026 1.00 0.00 O ATOM 3182 CB ASP D 36 10.369 -13.518 -12.072 1.00 0.00 C ATOM 3183 CG ASP D 36 10.980 -14.399 -10.999 1.00 0.00 C ATOM 3184 OD1 ASP D 36 12.195 -14.681 -11.081 1.00 0.00 O ATOM 3185 OD2 ASP D 36 10.244 -14.808 -10.076 1.00 0.00 O ATOM 0 H ASP D 36 11.242 -11.552 -10.889 1.00 0.00 H new ATOM 0 HA ASP D 36 12.301 -13.131 -12.949 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.561 -12.929 -11.638 1.00 0.00 H new ATOM 0 HB3 ASP D 36 9.926 -14.146 -12.845 1.00 0.00 H new ATOM 3190 N ASN D 37 10.432 -10.745 -14.015 1.00 0.00 N ATOM 3191 CA ASN D 37 9.876 -10.117 -15.216 1.00 0.00 C ATOM 3192 C ASN D 37 10.840 -9.104 -15.835 1.00 0.00 C ATOM 3193 O ASN D 37 10.719 -8.774 -17.016 1.00 0.00 O ATOM 3194 CB ASN D 37 8.535 -9.449 -14.909 1.00 0.00 C ATOM 3195 CG ASN D 37 8.666 -8.308 -13.924 1.00 0.00 C ATOM 3196 OD1 ASN D 37 9.280 -7.284 -14.221 1.00 0.00 O ATOM 3197 ND2 ASN D 37 8.085 -8.481 -12.745 1.00 0.00 N ATOM 0 H ASN D 37 10.477 -10.135 -13.199 1.00 0.00 H new ATOM 0 HA ASN D 37 9.718 -10.911 -15.946 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.098 -9.076 -15.836 1.00 0.00 H new ATOM 0 HB3 ASN D 37 7.846 -10.193 -14.509 1.00 0.00 H new ATOM 0 HD21 ASN D 37 8.136 -7.747 -12.039 1.00 0.00 H new ATOM 0 HD22 ASN D 37 7.587 -9.348 -12.544 1.00 0.00 H new ATOM 3204 N GLY D 38 11.805 -8.620 -15.051 1.00 0.00 N ATOM 3205 CA GLY D 38 12.770 -7.664 -15.580 1.00 0.00 C ATOM 3206 C GLY D 38 12.973 -6.433 -14.706 1.00 0.00 C ATOM 3207 O GLY D 38 13.551 -5.444 -15.158 1.00 0.00 O ATOM 0 H GLY D 38 11.936 -8.869 -14.070 1.00 0.00 H new ATOM 0 HA2 GLY D 38 13.729 -8.166 -15.709 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.442 -7.344 -16.569 1.00 0.00 H new ATOM 3211 N VAL D 39 12.514 -6.480 -13.458 1.00 0.00 N ATOM 3212 CA VAL D 39 12.676 -5.348 -12.550 1.00 0.00 C ATOM 3213 C VAL D 39 13.986 -5.459 -11.778 1.00 0.00 C ATOM 3214 O VAL D 39 14.411 -6.555 -11.416 1.00 0.00 O ATOM 3215 CB VAL D 39 11.508 -5.243 -11.550 1.00 0.00 C ATOM 3216 CG1 VAL D 39 11.601 -3.952 -10.749 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.176 -5.330 -12.279 1.00 0.00 C ATOM 0 H VAL D 39 12.031 -7.283 -13.055 1.00 0.00 H new ATOM 0 HA VAL D 39 12.687 -4.448 -13.165 1.00 0.00 H new ATOM 0 HB VAL D 39 11.574 -6.079 -10.854 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.767 -3.897 -10.049 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.540 -3.933 -10.197 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.562 -3.099 -11.427 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.361 -5.254 -11.559 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.101 -4.515 -12.999 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.110 -6.284 -12.803 1.00 0.00 H new ATOM 3227 N ASP D 40 14.627 -4.320 -11.537 1.00 0.00 N ATOM 3228 CA ASP D 40 15.894 -4.299 -10.814 1.00 0.00 C ATOM 3229 C ASP D 40 16.100 -2.961 -10.109 1.00 0.00 C ATOM 3230 O ASP D 40 15.245 -2.079 -10.170 1.00 0.00 O ATOM 3231 CB ASP D 40 17.052 -4.561 -11.778 1.00 0.00 C ATOM 3232 CG ASP D 40 17.184 -6.027 -12.142 1.00 0.00 C ATOM 3233 OD1 ASP D 40 16.533 -6.458 -13.117 1.00 0.00 O ATOM 3234 OD2 ASP D 40 17.937 -6.745 -11.452 1.00 0.00 O ATOM 0 H ASP D 40 14.292 -3.402 -11.830 1.00 0.00 H new ATOM 0 HA ASP D 40 15.867 -5.085 -10.059 1.00 0.00 H new ATOM 0 HB2 ASP D 40 16.904 -3.976 -12.686 1.00 0.00 H new ATOM 0 HB3 ASP D 40 17.982 -4.217 -11.326 1.00 0.00 H new ATOM 3239 N GLY D 41 17.244 -2.818 -9.445 1.00 0.00 N ATOM 3240 CA GLY D 41 17.546 -1.584 -8.739 1.00 0.00 C ATOM 3241 C GLY D 41 17.690 -1.782 -7.243 1.00 0.00 C ATOM 3242 O GLY D 41 18.173 -2.821 -6.792 1.00 0.00 O ATOM 0 H GLY D 41 17.967 -3.534 -9.383 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.469 -1.161 -9.135 1.00 0.00 H new ATOM 0 HA3 GLY D 41 16.755 -0.859 -8.930 1.00 0.00 H new ATOM 3246 N GLU D 42 17.274 -0.782 -6.472 1.00 0.00 N ATOM 3247 CA GLU D 42 17.362 -0.850 -5.019 1.00 0.00 C ATOM 3248 C GLU D 42 16.250 -0.039 -4.360 1.00 0.00 C ATOM 3249 O GLU D 42 15.687 0.871 -4.969 1.00 0.00 O ATOM 3250 CB GLU D 42 18.726 -0.342 -4.547 1.00 0.00 C ATOM 3251 CG GLU D 42 19.863 -1.317 -4.810 1.00 0.00 C ATOM 3252 CD GLU D 42 20.533 -1.083 -6.151 1.00 0.00 C ATOM 3253 OE1 GLU D 42 20.687 0.094 -6.539 1.00 0.00 O ATOM 3254 OE2 GLU D 42 20.903 -2.076 -6.810 1.00 0.00 O ATOM 0 H GLU D 42 16.873 0.085 -6.830 1.00 0.00 H new ATOM 0 HA GLU D 42 17.245 -1.893 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU D 42 18.945 0.602 -5.046 1.00 0.00 H new ATOM 0 HB3 GLU D 42 18.677 -0.134 -3.478 1.00 0.00 H new ATOM 0 HG2 GLU D 42 20.605 -1.227 -4.017 1.00 0.00 H new ATOM 0 HG3 GLU D 42 19.479 -2.336 -4.773 1.00 0.00 H new ATOM 3261 N TRP D 43 15.942 -0.377 -3.112 1.00 0.00 N ATOM 3262 CA TRP D 43 14.898 0.316 -2.364 1.00 0.00 C ATOM 3263 C TRP D 43 15.351 1.704 -1.943 1.00 0.00 C ATOM 3264 O TRP D 43 16.334 1.861 -1.219 1.00 0.00 O ATOM 3265 CB TRP D 43 14.493 -0.499 -1.136 1.00 0.00 C ATOM 3266 CG TRP D 43 13.656 -1.696 -1.471 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.090 -2.978 -1.639 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.240 -1.719 -1.684 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.030 -3.799 -1.943 1.00 0.00 N ATOM 3270 CE2 TRP D 43 11.884 -3.049 -1.976 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.239 -0.744 -1.656 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 10.570 -3.428 -2.237 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 9.934 -1.121 -1.915 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.610 -2.454 -2.202 1.00 0.00 C ATOM 0 H TRP D 43 16.401 -1.128 -2.596 1.00 0.00 H new ATOM 0 HA TRP D 43 14.034 0.425 -3.020 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.391 -0.827 -0.613 1.00 0.00 H new ATOM 0 HB3 TRP D 43 13.940 0.142 -0.449 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.116 -3.301 -1.547 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.087 -4.803 -2.116 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.480 0.285 -1.436 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.318 -4.454 -2.459 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.152 -0.376 -1.896 1.00 0.00 H new ATOM 0 HH2 TRP D 43 8.581 -2.718 -2.400 1.00 0.00 H new ATOM 3285 N THR D 44 14.618 2.709 -2.403 1.00 0.00 N ATOM 3286 CA THR D 44 14.925 4.092 -2.080 1.00 0.00 C ATOM 3287 C THR D 44 13.823 4.698 -1.224 1.00 0.00 C ATOM 3288 O THR D 44 12.637 4.460 -1.452 1.00 0.00 O ATOM 3289 CB THR D 44 15.110 4.912 -3.357 1.00 0.00 C ATOM 3290 OG1 THR D 44 13.910 4.948 -4.107 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.201 4.375 -4.257 1.00 0.00 C ATOM 0 H THR D 44 13.803 2.589 -3.004 1.00 0.00 H new ATOM 0 HA THR D 44 15.856 4.112 -1.514 1.00 0.00 H new ATOM 0 HB THR D 44 15.395 5.910 -3.023 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.202 4.483 -3.614 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.281 5.002 -5.145 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.150 4.381 -3.722 1.00 0.00 H new ATOM 0 HG23 THR D 44 15.959 3.355 -4.554 1.00 0.00 H new ATOM 3299 N TYR D 45 14.231 5.489 -0.245 1.00 0.00 N ATOM 3300 CA TYR D 45 13.292 6.148 0.653 1.00 0.00 C ATOM 3301 C TYR D 45 12.534 7.257 -0.071 1.00 0.00 C ATOM 3302 O TYR D 45 13.096 7.963 -0.908 1.00 0.00 O ATOM 3303 CB TYR D 45 14.027 6.720 1.866 1.00 0.00 C ATOM 3304 CG TYR D 45 14.331 5.687 2.927 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.359 5.301 3.843 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.585 5.097 3.013 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.631 4.357 4.815 1.00 0.00 C ATOM 3308 CE2 TYR D 45 15.863 4.151 3.982 1.00 0.00 C ATOM 3309 CZ TYR D 45 14.882 3.784 4.880 1.00 0.00 C ATOM 3310 OH TYR D 45 15.156 2.843 5.846 1.00 0.00 O ATOM 0 H TYR D 45 15.211 5.692 -0.050 1.00 0.00 H new ATOM 0 HA TYR D 45 12.572 5.405 0.994 1.00 0.00 H new ATOM 0 HB2 TYR D 45 14.960 7.175 1.534 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.424 7.514 2.305 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.376 5.746 3.794 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.355 5.382 2.312 1.00 0.00 H new ATOM 0 HE1 TYR D 45 12.866 4.070 5.521 1.00 0.00 H new ATOM 0 HE2 TYR D 45 16.843 3.701 4.036 1.00 0.00 H new ATOM 0 HH TYR D 45 16.083 2.538 5.752 1.00 0.00 H new ATOM 3320 N ASP D 46 11.254 7.406 0.257 1.00 0.00 N ATOM 3321 CA ASP D 46 10.420 8.429 -0.365 1.00 0.00 C ATOM 3322 C ASP D 46 10.795 9.817 0.143 1.00 0.00 C ATOM 3323 O ASP D 46 11.413 9.957 1.198 1.00 0.00 O ATOM 3324 CB ASP D 46 8.942 8.168 -0.070 1.00 0.00 C ATOM 3325 CG ASP D 46 8.485 6.802 -0.538 1.00 0.00 C ATOM 3326 OD1 ASP D 46 9.222 5.821 -0.314 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.388 6.713 -1.128 1.00 0.00 O ATOM 0 H ASP D 46 10.772 6.832 0.949 1.00 0.00 H new ATOM 0 HA ASP D 46 10.588 8.386 -1.441 1.00 0.00 H new ATOM 0 HB2 ASP D 46 8.769 8.257 1.002 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.338 8.935 -0.555 1.00 0.00 H new ATOM 3332 N ASP D 47 10.416 10.842 -0.614 1.00 0.00 N ATOM 3333 CA ASP D 47 10.710 12.218 -0.234 1.00 0.00 C ATOM 3334 C ASP D 47 9.953 12.594 1.036 1.00 0.00 C ATOM 3335 O ASP D 47 8.756 12.329 1.156 1.00 0.00 O ATOM 3336 CB ASP D 47 10.340 13.175 -1.368 1.00 0.00 C ATOM 3337 CG ASP D 47 10.996 14.534 -1.216 1.00 0.00 C ATOM 3338 OD1 ASP D 47 12.113 14.594 -0.659 1.00 0.00 O ATOM 3339 OD2 ASP D 47 10.393 15.537 -1.651 1.00 0.00 O ATOM 0 H ASP D 47 9.906 10.746 -1.492 1.00 0.00 H new ATOM 0 HA ASP D 47 11.780 12.300 -0.041 1.00 0.00 H new ATOM 0 HB2 ASP D 47 10.636 12.736 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP D 47 9.257 13.298 -1.397 1.00 0.00 H new ATOM 3344 N ALA D 48 10.660 13.196 1.987 1.00 0.00 N ATOM 3345 CA ALA D 48 10.060 13.592 3.259 1.00 0.00 C ATOM 3346 C ALA D 48 8.833 14.476 3.060 1.00 0.00 C ATOM 3347 O ALA D 48 8.815 15.353 2.196 1.00 0.00 O ATOM 3348 CB ALA D 48 11.089 14.305 4.122 1.00 0.00 C ATOM 0 H ALA D 48 11.651 13.421 1.902 1.00 0.00 H new ATOM 0 HA ALA D 48 9.730 12.685 3.765 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.632 14.596 5.068 1.00 0.00 H new ATOM 0 HB2 ALA D 48 11.928 13.636 4.315 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.446 15.194 3.603 1.00 0.00 H new ATOM 3354 N THR D 49 7.811 14.236 3.875 1.00 0.00 N ATOM 3355 CA THR D 49 6.571 15.000 3.810 1.00 0.00 C ATOM 3356 C THR D 49 6.148 15.457 5.203 1.00 0.00 C ATOM 3357 O THR D 49 6.541 14.860 6.206 1.00 0.00 O ATOM 3358 CB THR D 49 5.462 14.160 3.174 1.00 0.00 C ATOM 3359 OG1 THR D 49 5.928 13.525 1.996 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.236 14.966 2.808 1.00 0.00 C ATOM 0 H THR D 49 7.818 13.512 4.594 1.00 0.00 H new ATOM 0 HA THR D 49 6.744 15.882 3.193 1.00 0.00 H new ATOM 0 HB THR D 49 5.182 13.429 3.932 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.205 12.991 1.604 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.489 14.310 2.362 1.00 0.00 H new ATOM 0 HG22 THR D 49 3.824 15.429 3.705 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.511 15.742 2.093 1.00 0.00 H new ATOM 3368 N LYS D 50 5.352 16.522 5.263 1.00 0.00 N ATOM 3369 CA LYS D 50 4.889 17.053 6.543 1.00 0.00 C ATOM 3370 C LYS D 50 3.365 17.134 6.592 1.00 0.00 C ATOM 3371 O LYS D 50 2.738 17.797 5.764 1.00 0.00 O ATOM 3372 CB LYS D 50 5.493 18.437 6.790 1.00 0.00 C ATOM 3373 CG LYS D 50 6.845 18.395 7.484 1.00 0.00 C ATOM 3374 CD LYS D 50 7.531 19.751 7.450 1.00 0.00 C ATOM 3375 CE LYS D 50 9.037 19.609 7.302 1.00 0.00 C ATOM 3376 NZ LYS D 50 9.698 20.921 7.059 1.00 0.00 N ATOM 0 H LYS D 50 5.016 17.032 4.446 1.00 0.00 H new ATOM 0 HA LYS D 50 5.218 16.371 7.327 1.00 0.00 H new ATOM 0 HB2 LYS D 50 5.599 18.954 5.836 1.00 0.00 H new ATOM 0 HB3 LYS D 50 4.801 19.024 7.395 1.00 0.00 H new ATOM 0 HG2 LYS D 50 6.714 18.078 8.519 1.00 0.00 H new ATOM 0 HG3 LYS D 50 7.480 17.653 7.001 1.00 0.00 H new ATOM 0 HD2 LYS D 50 7.137 20.339 6.621 1.00 0.00 H new ATOM 0 HD3 LYS D 50 7.304 20.298 8.365 1.00 0.00 H new ATOM 0 HE2 LYS D 50 9.449 19.157 8.204 1.00 0.00 H new ATOM 0 HE3 LYS D 50 9.258 18.933 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 10.563 20.776 6.500 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 9.050 21.545 6.538 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 9.944 21.360 7.969 1.00 0.00 H new ATOM 3390 N THR D 51 2.782 16.457 7.576 1.00 0.00 N ATOM 3391 CA THR D 51 1.335 16.446 7.757 1.00 0.00 C ATOM 3392 C THR D 51 0.953 17.252 8.997 1.00 0.00 C ATOM 3393 O THR D 51 1.496 17.035 10.080 1.00 0.00 O ATOM 3394 CB THR D 51 0.834 15.000 7.875 1.00 0.00 C ATOM 3395 OG1 THR D 51 1.044 14.302 6.661 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.639 14.885 8.214 1.00 0.00 C ATOM 0 H THR D 51 3.294 15.905 8.265 1.00 0.00 H new ATOM 0 HA THR D 51 0.863 16.908 6.890 1.00 0.00 H new ATOM 0 HB THR D 51 1.408 14.569 8.695 1.00 0.00 H new ATOM 0 HG1 THR D 51 0.721 13.381 6.753 1.00 0.00 H new ATOM 0 HG21 THR D 51 -0.916 13.833 8.280 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.831 15.371 9.170 1.00 0.00 H new ATOM 0 HG23 THR D 51 -1.230 15.368 7.436 1.00 0.00 H new ATOM 3404 N PHE D 52 0.019 18.184 8.832 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.429 19.018 9.942 1.00 0.00 C ATOM 3406 C PHE D 52 -1.474 18.295 10.788 1.00 0.00 C ATOM 3407 O PHE D 52 -2.588 18.042 10.328 1.00 0.00 O ATOM 3408 CB PHE D 52 -0.999 20.340 9.428 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.058 21.412 10.479 1.00 0.00 C ATOM 3410 CD1 PHE D 52 0.097 21.843 11.113 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.268 21.985 10.835 1.00 0.00 C ATOM 3412 CE1 PHE D 52 0.046 22.826 12.083 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -2.325 22.970 11.803 1.00 0.00 C ATOM 3414 CZ PHE D 52 -1.167 23.391 12.428 1.00 0.00 C ATOM 0 H PHE D 52 -0.441 18.380 7.943 1.00 0.00 H new ATOM 0 HA PHE D 52 0.438 19.226 10.569 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.389 20.691 8.595 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -2.002 20.168 9.038 1.00 0.00 H new ATOM 0 HD1 PHE D 52 1.048 21.406 10.846 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.177 21.659 10.351 1.00 0.00 H new ATOM 0 HE1 PHE D 52 0.953 23.152 12.571 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -3.274 23.410 12.071 1.00 0.00 H new ATOM 0 HZ PHE D 52 -1.210 24.160 13.185 1.00 0.00 H new ATOM 3424 N THR D 53 -1.117 17.978 12.027 1.00 0.00 N ATOM 3425 CA THR D 53 -2.037 17.300 12.933 1.00 0.00 C ATOM 3426 C THR D 53 -2.827 18.320 13.748 1.00 0.00 C ATOM 3427 O THR D 53 -2.248 19.176 14.415 1.00 0.00 O ATOM 3428 CB THR D 53 -1.275 16.358 13.868 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.528 15.412 13.126 1.00 0.00 O ATOM 3430 CG2 THR D 53 -2.179 15.590 14.810 1.00 0.00 C ATOM 0 H THR D 53 -0.200 18.179 12.427 1.00 0.00 H new ATOM 0 HA THR D 53 -2.733 16.710 12.336 1.00 0.00 H new ATOM 0 HB THR D 53 -0.623 17.002 14.458 1.00 0.00 H new ATOM 0 HG1 THR D 53 0.170 15.874 12.616 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.576 14.941 15.445 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.736 16.291 15.432 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.877 14.985 14.232 1.00 0.00 H new ATOM 3438 N VAL D 54 -4.153 18.229 13.686 1.00 0.00 N ATOM 3439 CA VAL D 54 -5.011 19.154 14.417 1.00 0.00 C ATOM 3440 C VAL D 54 -4.965 18.878 15.915 1.00 0.00 C ATOM 3441 O VAL D 54 -4.645 17.770 16.343 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.476 19.078 13.946 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.267 20.261 14.483 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.556 19.024 12.426 1.00 0.00 C ATOM 0 H VAL D 54 -4.653 17.528 13.140 1.00 0.00 H new ATOM 0 HA VAL D 54 -4.627 20.154 14.214 1.00 0.00 H new ATOM 0 HB VAL D 54 -6.914 18.161 14.339 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.300 20.193 14.142 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.243 20.250 15.573 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -6.825 21.189 14.120 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.600 18.971 12.118 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -6.099 19.920 12.006 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -6.026 18.143 12.065 1.00 0.00 H new ATOM 3454 N THR D 55 -5.290 19.894 16.708 1.00 0.00 N ATOM 3455 CA THR D 55 -5.288 19.756 18.162 1.00 0.00 C ATOM 3456 C THR D 55 -6.422 20.557 18.800 1.00 0.00 C ATOM 3457 O THR D 55 -7.441 19.994 19.199 1.00 0.00 O ATOM 3458 CB THR D 55 -3.937 20.187 18.738 1.00 0.00 C ATOM 3459 OG1 THR D 55 -2.883 19.450 18.144 1.00 0.00 O ATOM 3460 CG2 THR D 55 -3.838 19.999 20.237 1.00 0.00 C ATOM 0 H THR D 55 -5.557 20.819 16.371 1.00 0.00 H new ATOM 0 HA THR D 55 -5.451 18.704 18.398 1.00 0.00 H new ATOM 0 HB THR D 55 -3.853 21.251 18.515 1.00 0.00 H new ATOM 0 HG1 THR D 55 -2.049 19.622 18.630 1.00 0.00 H new ATOM 0 HG21 THR D 55 -2.856 20.324 20.580 1.00 0.00 H new ATOM 0 HG22 THR D 55 -4.609 20.592 20.730 1.00 0.00 H new ATOM 0 HG23 THR D 55 -3.978 18.946 20.482 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.239 21.869 18.893 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.249 22.745 19.484 1.00 0.00 C ATOM 3470 C GLU D 56 -6.788 24.199 19.463 1.00 0.00 C ATOM 3471 O GLU D 56 -5.636 24.459 19.868 1.00 0.00 O ATOM 3472 CB GLU D 56 -7.556 22.321 20.923 1.00 0.00 C ATOM 3473 CG GLU D 56 -6.314 22.052 21.754 1.00 0.00 C ATOM 3474 CD GLU D 56 -6.599 21.190 22.969 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -7.624 21.433 23.642 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -5.799 20.273 23.247 1.00 0.00 O ATOM 3477 OXT GLU D 56 -7.584 25.065 19.043 1.00 0.00 O ATOM 0 H GLU D 56 -5.401 22.352 18.567 1.00 0.00 H new ATOM 0 HA GLU D 56 -8.157 22.657 18.887 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -8.144 23.102 21.406 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -8.173 21.422 20.905 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -5.565 21.561 21.133 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -5.886 23.001 22.079 1.00 0.00 H new