USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=44 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 -1:sc= 1.68 USER MOD Set 1.2: D 53 THR OG1 : rot 55:sc= -0.695 USER MOD Set 2.1: A 3 TYR OH : rot -80:sc= -4.32! USER MOD Set 2.2: D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 49 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: C 2 GLN : amide:sc= -0.621 K(o=-0.62,f=-1.5) USER MOD Set 3.3: D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: B 3 TYR OH : rot -83:sc= -4.29! USER MOD Set 4.2: C 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: B 2 GLN : amide:sc= -0.576 K(o=-0.58,f=-1.4) USER MOD Set 5.3: C 49 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: B 53 THR OG1 : rot 57:sc= -0.638 USER MOD Set 6.2: D 44 THR OG1 : rot 17:sc= 1.72 USER MOD Set 7.1: B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: C 3 TYR OH : rot -79:sc= -3.87! USER MOD Set 8.1: A 2 GLN : amide:sc= -0.569 K(o=-0.57,f=-1.4) USER MOD Set 8.2: B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.3: D 49 THR OG1 : rot 180:sc= 0 USER MOD Set 9.1: A 53 THR OG1 : rot 52:sc= -0.563 USER MOD Set 9.2: C 44 THR OG1 : rot 0:sc= 1.65 USER MOD Set10.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set10.2: D 3 TYR OH : rot 15:sc= -5.1! USER MOD Set11.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set11.2: C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set11.3: D 2 GLN : amide:sc= -0.626 K(o=-0.63,f=-1.5!) USER MOD Set12.1: A 44 THR OG1 : rot 8:sc= 1.69 USER MOD Set12.2: C 53 THR OG1 : rot 55:sc= -0.657 USER MOD Single : A 1 MET CE :methyl 174:sc= -1.51 (180deg=-1.94) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.13 (180deg=0.97) USER MOD Single : A 25 THR OG1 : rot 10:sc= -0.524 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= -0.0925 X(o=-0.093,f=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -2.49 F(o=-4.2,f=-2.5) USER MOD Single : A 37 ASN : amide:sc= -7.76! C(o=-7.8!,f=-15!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 141:sc= -1.79 USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.264 USER MOD Single : B 1 MET CE :methyl 170:sc= -1.39 (180deg=-1.89) USER MOD Single : B 1 MET N :NH3+ 179:sc= 1.21 (180deg=1.15) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.505 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= -0.0633 X(o=-0.063,f=0) USER MOD Single : B 35 ASN :FLIP amide:sc= -2.54 F(o=-4.3!,f=-2.5) USER MOD Single : B 37 ASN : amide:sc= -7.75! C(o=-7.8!,f=-15!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 THR OG1 : rot 135:sc= -1.96! USER MOD Single : B 55 THR OG1 : rot -170:sc= -0.254 USER MOD Single : C 1 MET CE :methyl 172:sc= -1.45 (180deg=-1.93) USER MOD Single : C 1 MET N :NH3+ 176:sc= 1.18 (180deg=1.14) USER MOD Single : C 25 THR OG1 : rot 180:sc= -0.523 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= -0.0567 X(o=-0.057,f=0) USER MOD Single : C 35 ASN :FLIP amide:sc= -2.37 F(o=-4.3,f=-2.4) USER MOD Single : C 37 ASN : amide:sc= -7.64! C(o=-7.6!,f=-16!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 51 THR OG1 : rot 141:sc= -1.97 USER MOD Single : C 55 THR OG1 : rot -170:sc= -0.265 USER MOD Single : D 1 MET CE :methyl 172:sc= -1.54 (180deg=-1.85) USER MOD Single : D 1 MET N :NH3+ -177:sc= 1.16 (180deg=1.12) USER MOD Single : D 25 THR OG1 : rot 180:sc= -0.527 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= -0.0397 X(o=-0.04,f=0) USER MOD Single : D 35 ASN :FLIP amide:sc= -2.37 F(o=-4.4,f=-2.4) USER MOD Single : D 37 ASN : amide:sc= -7.69! C(o=-7.7!,f=-15!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 51 THR OG1 : rot 141:sc= -1.97 USER MOD Single : D 55 THR OG1 : rot -170:sc= -0.206 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.428 20.736 -0.268 1.00 0.00 N ATOM 2 CA MET A 1 9.685 20.033 0.810 1.00 0.00 C ATOM 3 C MET A 1 8.216 19.859 0.443 1.00 0.00 C ATOM 4 O MET A 1 7.547 20.812 0.045 1.00 0.00 O ATOM 5 CB MET A 1 9.821 20.840 2.104 1.00 0.00 C ATOM 6 CG MET A 1 11.011 20.429 2.955 1.00 0.00 C ATOM 7 SD MET A 1 10.565 19.270 4.263 1.00 0.00 S ATOM 8 CE MET A 1 9.600 18.076 3.342 1.00 0.00 C ATOM 0 H1 MET A 1 11.426 20.443 -0.250 1.00 0.00 H new ATOM 0 H2 MET A 1 10.013 20.494 -1.190 1.00 0.00 H new ATOM 0 H3 MET A 1 10.366 21.763 -0.119 1.00 0.00 H new ATOM 0 HA MET A 1 10.107 19.037 0.946 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.911 21.897 1.855 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.909 20.727 2.690 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.769 19.976 2.317 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.458 21.318 3.400 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.342 17.239 3.991 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.688 18.548 2.978 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.183 17.713 2.496 1.00 0.00 H new ATOM 20 N GLN A 2 7.721 18.635 0.589 1.00 0.00 N ATOM 21 CA GLN A 2 6.329 18.330 0.277 1.00 0.00 C ATOM 22 C GLN A 2 5.450 18.529 1.505 1.00 0.00 C ATOM 23 O GLN A 2 5.695 17.938 2.556 1.00 0.00 O ATOM 24 CB GLN A 2 6.201 16.894 -0.232 1.00 0.00 C ATOM 25 CG GLN A 2 4.894 16.618 -0.959 1.00 0.00 C ATOM 26 CD GLN A 2 5.017 15.500 -1.974 1.00 0.00 C ATOM 27 OE1 GLN A 2 4.680 15.671 -3.145 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.500 14.347 -1.529 1.00 0.00 N ATOM 0 H GLN A 2 8.263 17.837 0.922 1.00 0.00 H new ATOM 0 HA GLN A 2 5.995 19.012 -0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.032 16.680 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.289 16.210 0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.125 16.360 -0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.564 17.526 -1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.767 14.250 -0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.604 13.558 -2.167 1.00 0.00 H new ATOM 37 N TYR A 3 4.430 19.371 1.370 1.00 0.00 N ATOM 38 CA TYR A 3 3.526 19.649 2.478 1.00 0.00 C ATOM 39 C TYR A 3 2.137 19.063 2.249 1.00 0.00 C ATOM 40 O TYR A 3 1.542 19.218 1.182 1.00 0.00 O ATOM 41 CB TYR A 3 3.431 21.155 2.724 1.00 0.00 C ATOM 42 CG TYR A 3 4.586 21.703 3.531 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.592 21.603 4.916 1.00 0.00 C ATOM 44 CD2 TYR A 3 5.669 22.314 2.913 1.00 0.00 C ATOM 45 CE1 TYR A 3 5.644 22.097 5.663 1.00 0.00 C ATOM 46 CE2 TYR A 3 6.727 22.810 3.654 1.00 0.00 C ATOM 47 CZ TYR A 3 6.708 22.698 5.028 1.00 0.00 C ATOM 48 OH TYR A 3 7.759 23.189 5.769 1.00 0.00 O ATOM 0 H TYR A 3 4.210 19.870 0.508 1.00 0.00 H new ATOM 0 HA TYR A 3 3.942 19.166 3.362 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.390 21.671 1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.498 21.373 3.244 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.760 21.131 5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.686 22.403 1.837 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.632 22.012 6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.563 23.282 3.159 1.00 0.00 H new ATOM 0 HH TYR A 3 7.518 24.065 6.138 1.00 0.00 H new ATOM 58 N LYS A 4 1.640 18.387 3.279 1.00 0.00 N ATOM 59 CA LYS A 4 0.324 17.760 3.236 1.00 0.00 C ATOM 60 C LYS A 4 -0.676 18.544 4.079 1.00 0.00 C ATOM 61 O LYS A 4 -0.438 18.805 5.258 1.00 0.00 O ATOM 62 CB LYS A 4 0.406 16.316 3.734 1.00 0.00 C ATOM 63 CG LYS A 4 1.346 15.441 2.922 1.00 0.00 C ATOM 64 CD LYS A 4 0.590 14.620 1.889 1.00 0.00 C ATOM 65 CE LYS A 4 -0.033 13.380 2.509 1.00 0.00 C ATOM 66 NZ LYS A 4 -0.352 12.346 1.486 1.00 0.00 N ATOM 0 H LYS A 4 2.134 18.259 4.162 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.018 17.760 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.733 16.318 4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.592 15.877 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.085 16.066 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.892 14.774 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.190 15.232 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.269 14.326 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.651 12.961 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.944 13.658 3.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.775 11.517 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.024 12.737 0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.520 12.061 0.997 1.00 0.00 H new ATOM 80 N VAL A 5 -1.796 18.919 3.466 1.00 0.00 N ATOM 81 CA VAL A 5 -2.832 19.673 4.161 1.00 0.00 C ATOM 82 C VAL A 5 -4.221 19.223 3.722 1.00 0.00 C ATOM 83 O VAL A 5 -4.556 19.280 2.538 1.00 0.00 O ATOM 84 CB VAL A 5 -2.690 21.185 3.907 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.644 21.970 4.793 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.253 21.632 4.131 1.00 0.00 C ATOM 0 H VAL A 5 -2.008 18.712 2.490 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.708 19.479 5.226 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.951 21.385 2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.528 23.036 4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.670 21.671 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.419 21.766 5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.172 22.703 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.961 21.418 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.594 21.096 3.448 1.00 0.00 H new ATOM 96 N ILE A 6 -5.027 18.771 4.679 1.00 0.00 N ATOM 97 CA ILE A 6 -6.377 18.307 4.386 1.00 0.00 C ATOM 98 C ILE A 6 -7.411 19.411 4.596 1.00 0.00 C ATOM 99 O ILE A 6 -7.603 19.890 5.714 1.00 0.00 O ATOM 100 CB ILE A 6 -6.753 17.099 5.268 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.637 16.053 5.246 1.00 0.00 C ATOM 102 CG2 ILE A 6 -8.067 16.490 4.804 1.00 0.00 C ATOM 103 CD1 ILE A 6 -5.812 14.960 6.278 1.00 0.00 C ATOM 0 H ILE A 6 -4.767 18.717 5.664 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.383 18.010 3.337 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.879 17.445 6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.593 15.602 4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.681 16.550 5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.317 15.639 5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.858 17.237 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.969 16.157 3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.985 14.254 6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.826 15.400 7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.752 14.437 6.099 1.00 0.00 H new ATOM 115 N LEU A 7 -8.089 19.794 3.520 1.00 0.00 N ATOM 116 CA LEU A 7 -9.121 20.824 3.589 1.00 0.00 C ATOM 117 C LEU A 7 -10.501 20.180 3.499 1.00 0.00 C ATOM 118 O LEU A 7 -10.793 19.454 2.547 1.00 0.00 O ATOM 119 CB LEU A 7 -8.941 21.853 2.467 1.00 0.00 C ATOM 120 CG LEU A 7 -8.146 23.106 2.854 1.00 0.00 C ATOM 121 CD1 LEU A 7 -6.709 22.996 2.372 1.00 0.00 C ATOM 122 CD2 LEU A 7 -8.804 24.360 2.287 1.00 0.00 C ATOM 0 H LEU A 7 -7.943 19.407 2.588 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.030 21.344 4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.441 21.369 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.926 22.161 2.116 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.141 23.184 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.160 23.894 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.238 22.124 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.696 22.890 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.223 25.237 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.843 24.290 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.816 24.450 2.682 1.00 0.00 H new ATOM 337 N ASP A 22 -12.867 24.968 2.455 1.00 0.00 N ATOM 338 CA ASP A 22 -13.255 24.517 1.122 1.00 0.00 C ATOM 339 C ASP A 22 -12.048 24.253 0.232 1.00 0.00 C ATOM 340 O ASP A 22 -11.089 25.020 0.215 1.00 0.00 O ATOM 341 CB ASP A 22 -14.153 25.566 0.467 1.00 0.00 C ATOM 342 CG ASP A 22 -14.779 25.074 -0.822 1.00 0.00 C ATOM 343 OD1 ASP A 22 -14.118 25.172 -1.878 1.00 0.00 O ATOM 344 OD2 ASP A 22 -15.931 24.592 -0.777 1.00 0.00 O ATOM 0 HA ASP A 22 -13.794 23.576 1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.941 25.850 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.569 26.463 0.263 1.00 0.00 H new ATOM 349 N ALA A 23 -12.117 23.160 -0.513 1.00 0.00 N ATOM 350 CA ALA A 23 -11.047 22.777 -1.423 1.00 0.00 C ATOM 351 C ALA A 23 -10.586 23.965 -2.269 1.00 0.00 C ATOM 352 O ALA A 23 -9.390 24.162 -2.482 1.00 0.00 O ATOM 353 CB ALA A 23 -11.526 21.637 -2.306 1.00 0.00 C ATOM 0 H ALA A 23 -12.909 22.518 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.188 22.445 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.728 21.346 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.799 20.785 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.395 21.961 -2.879 1.00 0.00 H new ATOM 359 N ALA A 24 -11.546 24.756 -2.741 1.00 0.00 N ATOM 360 CA ALA A 24 -11.250 25.931 -3.556 1.00 0.00 C ATOM 361 C ALA A 24 -10.540 27.007 -2.738 1.00 0.00 C ATOM 362 O ALA A 24 -9.781 27.811 -3.279 1.00 0.00 O ATOM 363 CB ALA A 24 -12.529 26.488 -4.163 1.00 0.00 C ATOM 0 H ALA A 24 -12.540 24.603 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.581 25.623 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.293 27.364 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.995 25.728 -4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.216 26.772 -3.366 1.00 0.00 H new ATOM 369 N THR A 25 -10.794 27.015 -1.433 1.00 0.00 N ATOM 370 CA THR A 25 -10.183 27.992 -0.538 1.00 0.00 C ATOM 371 C THR A 25 -8.664 27.850 -0.552 1.00 0.00 C ATOM 372 O THR A 25 -7.936 28.842 -0.528 1.00 0.00 O ATOM 373 CB THR A 25 -10.731 27.806 0.885 1.00 0.00 C ATOM 374 OG1 THR A 25 -12.107 28.142 0.941 1.00 0.00 O ATOM 375 CG2 THR A 25 -10.020 28.635 1.930 1.00 0.00 C ATOM 0 H THR A 25 -11.420 26.355 -0.971 1.00 0.00 H new ATOM 0 HA THR A 25 -10.433 28.995 -0.883 1.00 0.00 H new ATOM 0 HB THR A 25 -10.564 26.753 1.112 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.450 28.269 0.032 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.465 28.448 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.965 28.363 1.954 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.117 29.692 1.684 1.00 0.00 H new ATOM 383 N PHE A 26 -8.199 26.609 -0.618 1.00 0.00 N ATOM 384 CA PHE A 26 -6.768 26.335 -0.668 1.00 0.00 C ATOM 385 C PHE A 26 -6.178 26.783 -2.002 1.00 0.00 C ATOM 386 O PHE A 26 -5.158 27.471 -2.046 1.00 0.00 O ATOM 387 CB PHE A 26 -6.483 24.849 -0.450 1.00 0.00 C ATOM 388 CG PHE A 26 -5.033 24.563 -0.175 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.422 25.060 0.965 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.280 23.806 -1.059 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.088 24.807 1.219 1.00 0.00 C ATOM 392 CE2 PHE A 26 -2.946 23.549 -0.809 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.349 24.051 0.331 1.00 0.00 C ATOM 0 H PHE A 26 -8.790 25.778 -0.638 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.297 26.901 0.136 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.083 24.488 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.797 24.291 -1.332 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.995 25.652 1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.741 23.413 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.624 25.200 2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.370 22.956 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.306 23.852 0.527 1.00 0.00 H new ATOM 403 N GLU A 27 -6.826 26.374 -3.089 1.00 0.00 N ATOM 404 CA GLU A 27 -6.370 26.711 -4.437 1.00 0.00 C ATOM 405 C GLU A 27 -6.174 28.215 -4.614 1.00 0.00 C ATOM 406 O GLU A 27 -5.124 28.661 -5.074 1.00 0.00 O ATOM 407 CB GLU A 27 -7.369 26.194 -5.476 1.00 0.00 C ATOM 408 CG GLU A 27 -7.731 24.728 -5.297 1.00 0.00 C ATOM 409 CD GLU A 27 -8.216 24.085 -6.581 1.00 0.00 C ATOM 410 OE1 GLU A 27 -8.995 24.733 -7.312 1.00 0.00 O ATOM 411 OE2 GLU A 27 -7.817 22.934 -6.857 1.00 0.00 O ATOM 0 H GLU A 27 -7.673 25.806 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.404 26.229 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.278 26.793 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.951 26.337 -6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.860 24.185 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.506 24.640 -4.536 1.00 0.00 H new ATOM 418 N LYS A 28 -7.199 28.989 -4.275 1.00 0.00 N ATOM 419 CA LYS A 28 -7.144 30.440 -4.429 1.00 0.00 C ATOM 420 C LYS A 28 -6.113 31.081 -3.501 1.00 0.00 C ATOM 421 O LYS A 28 -5.298 31.892 -3.940 1.00 0.00 O ATOM 422 CB LYS A 28 -8.524 31.046 -4.163 1.00 0.00 C ATOM 423 CG LYS A 28 -8.596 32.540 -4.432 1.00 0.00 C ATOM 424 CD LYS A 28 -9.933 33.120 -3.999 1.00 0.00 C ATOM 425 CE LYS A 28 -10.964 33.038 -5.112 1.00 0.00 C ATOM 426 NZ LYS A 28 -12.253 33.676 -4.725 1.00 0.00 N ATOM 0 H LYS A 28 -8.077 28.638 -3.892 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.838 30.646 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.261 30.538 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.800 30.859 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.790 33.046 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.444 32.727 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.298 32.582 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.800 34.160 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.573 33.524 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.139 31.993 -5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.929 33.598 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.640 33.196 -3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.091 34.680 -4.505 1.00 0.00 H new ATOM 440 N VAL A 29 -6.148 30.722 -2.222 1.00 0.00 N ATOM 441 CA VAL A 29 -5.212 31.275 -1.249 1.00 0.00 C ATOM 442 C VAL A 29 -3.764 30.915 -1.577 1.00 0.00 C ATOM 443 O VAL A 29 -2.865 31.744 -1.438 1.00 0.00 O ATOM 444 CB VAL A 29 -5.537 30.795 0.180 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.548 31.373 1.184 1.00 0.00 C ATOM 446 CG2 VAL A 29 -6.964 31.167 0.553 1.00 0.00 C ATOM 0 H VAL A 29 -6.813 30.052 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.324 32.358 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.446 29.709 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.798 31.020 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.539 31.051 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.599 32.462 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.178 30.821 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.082 32.250 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.657 30.697 -0.145 1.00 0.00 H new ATOM 456 N VAL A 30 -3.541 29.674 -1.997 1.00 0.00 N ATOM 457 CA VAL A 30 -2.197 29.212 -2.324 1.00 0.00 C ATOM 458 C VAL A 30 -1.670 29.859 -3.600 1.00 0.00 C ATOM 459 O VAL A 30 -0.527 30.313 -3.640 1.00 0.00 O ATOM 460 CB VAL A 30 -2.137 27.676 -2.456 1.00 0.00 C ATOM 461 CG1 VAL A 30 -0.725 27.214 -2.788 1.00 0.00 C ATOM 462 CG2 VAL A 30 -2.627 27.016 -1.176 1.00 0.00 C ATOM 0 H VAL A 30 -4.271 28.972 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.559 29.514 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.792 27.378 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.709 26.128 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.409 27.659 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.045 27.524 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.579 25.932 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.997 27.326 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.657 27.316 -0.983 1.00 0.00 H new ATOM 472 N LYS A 31 -2.496 29.911 -4.641 1.00 0.00 N ATOM 473 CA LYS A 31 -2.082 30.518 -5.899 1.00 0.00 C ATOM 474 C LYS A 31 -1.800 32.002 -5.705 1.00 0.00 C ATOM 475 O LYS A 31 -0.788 32.521 -6.172 1.00 0.00 O ATOM 476 CB LYS A 31 -3.172 30.327 -6.957 1.00 0.00 C ATOM 477 CG LYS A 31 -2.786 30.838 -8.337 1.00 0.00 C ATOM 478 CD LYS A 31 -3.942 30.713 -9.317 1.00 0.00 C ATOM 479 CE LYS A 31 -3.595 31.313 -10.669 1.00 0.00 C ATOM 480 NZ LYS A 31 -4.807 31.762 -11.407 1.00 0.00 N ATOM 0 H LYS A 31 -3.447 29.543 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.168 30.030 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.415 29.267 -7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.076 30.840 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.477 31.881 -8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.929 30.276 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.203 29.662 -9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.821 31.214 -8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.922 32.159 -10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.059 30.575 -11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.526 32.165 -12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.438 30.951 -11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.305 32.485 -10.849 1.00 0.00 H new ATOM 494 N GLN A 32 -2.702 32.677 -5.003 1.00 0.00 N ATOM 495 CA GLN A 32 -2.555 34.100 -4.736 1.00 0.00 C ATOM 496 C GLN A 32 -1.312 34.377 -3.895 1.00 0.00 C ATOM 497 O GLN A 32 -0.530 35.274 -4.209 1.00 0.00 O ATOM 498 CB GLN A 32 -3.798 34.641 -4.026 1.00 0.00 C ATOM 499 CG GLN A 32 -3.832 36.158 -3.930 1.00 0.00 C ATOM 500 CD GLN A 32 -5.187 36.685 -3.501 1.00 0.00 C ATOM 501 OE1 GLN A 32 -5.308 37.363 -2.482 1.00 0.00 O ATOM 502 NE2 GLN A 32 -6.217 36.372 -4.280 1.00 0.00 N ATOM 0 H GLN A 32 -3.545 32.259 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.441 34.610 -5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.687 34.299 -4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.844 34.221 -3.021 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.075 36.490 -3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.570 36.586 -4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.071 35.807 -5.116 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.154 36.697 -4.042 1.00 0.00 H new ATOM 511 N PHE A 33 -1.128 33.600 -2.830 1.00 0.00 N ATOM 512 CA PHE A 33 0.023 33.755 -1.949 1.00 0.00 C ATOM 513 C PHE A 33 1.339 33.382 -2.636 1.00 0.00 C ATOM 514 O PHE A 33 2.324 34.114 -2.534 1.00 0.00 O ATOM 515 CB PHE A 33 -0.219 32.942 -0.665 1.00 0.00 C ATOM 516 CG PHE A 33 1.013 32.549 0.102 1.00 0.00 C ATOM 517 CD1 PHE A 33 1.908 33.494 0.577 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.250 31.212 0.374 1.00 0.00 C ATOM 519 CE1 PHE A 33 3.022 33.107 1.303 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.358 30.819 1.096 1.00 0.00 C ATOM 521 CZ PHE A 33 3.246 31.765 1.561 1.00 0.00 C ATOM 0 H PHE A 33 -1.766 32.853 -2.557 1.00 0.00 H new ATOM 0 HA PHE A 33 0.127 34.808 -1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.865 33.523 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.765 32.036 -0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.735 34.542 0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.557 30.465 0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.715 33.851 1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.529 29.772 1.297 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.115 31.460 2.125 1.00 0.00 H new ATOM 531 N PHE A 34 1.359 32.249 -3.329 1.00 0.00 N ATOM 532 CA PHE A 34 2.569 31.808 -4.018 1.00 0.00 C ATOM 533 C PHE A 34 2.854 32.609 -5.290 1.00 0.00 C ATOM 534 O PHE A 34 4.014 32.842 -5.625 1.00 0.00 O ATOM 535 CB PHE A 34 2.524 30.304 -4.281 1.00 0.00 C ATOM 536 CG PHE A 34 2.930 29.525 -3.064 1.00 0.00 C ATOM 537 CD1 PHE A 34 2.031 29.292 -2.034 1.00 0.00 C ATOM 538 CD2 PHE A 34 4.229 29.065 -2.930 1.00 0.00 C ATOM 539 CE1 PHE A 34 2.425 28.615 -0.894 1.00 0.00 C ATOM 540 CE2 PHE A 34 4.626 28.382 -1.798 1.00 0.00 C ATOM 541 CZ PHE A 34 3.726 28.160 -0.777 1.00 0.00 C ATOM 0 H PHE A 34 0.560 31.623 -3.429 1.00 0.00 H new ATOM 0 HA PHE A 34 3.409 32.007 -3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.517 30.015 -4.581 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.187 30.058 -5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.013 29.643 -2.123 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.941 29.243 -3.722 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.718 28.442 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.641 28.022 -1.712 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.036 27.632 0.112 1.00 0.00 H new ATOM 551 N ASN A 35 1.811 33.055 -5.986 1.00 0.00 N ATOM 552 CA ASN A 35 2.007 33.857 -7.197 1.00 0.00 C ATOM 553 C ASN A 35 2.867 35.087 -6.902 1.00 0.00 C ATOM 554 O ASN A 35 3.610 35.561 -7.761 1.00 0.00 O ATOM 555 CB ASN A 35 0.665 34.285 -7.804 1.00 0.00 C ATOM 556 CG ASN A 35 0.021 33.210 -8.672 1.00 0.00 C ATOM 557 OD1 ASN A 35 0.314 31.944 -8.392 1.00 0.00 O flip ATOM 558 ND2 ASN A 35 -0.732 33.522 -9.594 1.00 0.00 N flip ATOM 0 H ASN A 35 0.837 32.880 -5.740 1.00 0.00 H new ATOM 0 HA ASN A 35 2.527 33.232 -7.923 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.021 34.550 -6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.816 35.183 -8.403 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.933 34.505 -9.778 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.155 32.798 -10.174 1.00 0.00 H new ATOM 565 N ASP A 36 2.758 35.593 -5.677 1.00 0.00 N ATOM 566 CA ASP A 36 3.517 36.764 -5.243 1.00 0.00 C ATOM 567 C ASP A 36 5.028 36.518 -5.285 1.00 0.00 C ATOM 568 O ASP A 36 5.816 37.463 -5.276 1.00 0.00 O ATOM 569 CB ASP A 36 3.095 37.173 -3.830 1.00 0.00 C ATOM 570 CG ASP A 36 1.611 37.467 -3.733 1.00 0.00 C ATOM 571 OD1 ASP A 36 1.050 38.016 -4.705 1.00 0.00 O ATOM 572 OD2 ASP A 36 1.010 37.148 -2.686 1.00 0.00 O ATOM 0 H ASP A 36 2.145 35.206 -4.960 1.00 0.00 H new ATOM 0 HA ASP A 36 3.294 37.572 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.351 36.376 -3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.658 38.056 -3.527 1.00 0.00 H new ATOM 577 N ASN A 37 5.427 35.247 -5.318 1.00 0.00 N ATOM 578 CA ASN A 37 6.849 34.902 -5.346 1.00 0.00 C ATOM 579 C ASN A 37 7.297 34.429 -6.729 1.00 0.00 C ATOM 580 O ASN A 37 8.484 34.489 -7.052 1.00 0.00 O ATOM 581 CB ASN A 37 7.169 33.840 -4.293 1.00 0.00 C ATOM 582 CG ASN A 37 6.521 32.504 -4.590 1.00 0.00 C ATOM 583 OD1 ASN A 37 6.755 31.908 -5.640 1.00 0.00 O ATOM 584 ND2 ASN A 37 5.702 32.029 -3.660 1.00 0.00 N ATOM 0 H ASN A 37 4.794 34.447 -5.326 1.00 0.00 H new ATOM 0 HA ASN A 37 7.404 35.811 -5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.249 33.709 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.835 34.191 -3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.236 31.133 -3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.539 32.560 -2.804 1.00 0.00 H new ATOM 591 N GLY A 38 6.354 33.974 -7.554 1.00 0.00 N ATOM 592 CA GLY A 38 6.710 33.526 -8.892 1.00 0.00 C ATOM 593 C GLY A 38 6.146 32.162 -9.261 1.00 0.00 C ATOM 594 O GLY A 38 6.584 31.557 -10.238 1.00 0.00 O ATOM 0 H GLY A 38 5.362 33.908 -7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.357 34.261 -9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.796 33.493 -8.975 1.00 0.00 H new ATOM 598 N VAL A 39 5.174 31.675 -8.494 1.00 0.00 N ATOM 599 CA VAL A 39 4.567 30.378 -8.779 1.00 0.00 C ATOM 600 C VAL A 39 3.375 30.531 -9.718 1.00 0.00 C ATOM 601 O VAL A 39 2.627 31.505 -9.629 1.00 0.00 O ATOM 602 CB VAL A 39 4.106 29.667 -7.491 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.627 28.255 -7.801 1.00 0.00 C ATOM 604 CG2 VAL A 39 5.229 29.642 -6.467 1.00 0.00 C ATOM 0 H VAL A 39 4.793 32.154 -7.678 1.00 0.00 H new ATOM 0 HA VAL A 39 5.334 29.769 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 39 3.270 30.225 -7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.306 27.769 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.791 28.299 -8.498 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.441 27.684 -8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.887 29.137 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.085 29.108 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.521 30.663 -6.223 1.00 0.00 H new ATOM 614 N ASP A 40 3.204 29.569 -10.621 1.00 0.00 N ATOM 615 CA ASP A 40 2.101 29.609 -11.574 1.00 0.00 C ATOM 616 C ASP A 40 1.742 28.206 -12.058 1.00 0.00 C ATOM 617 O ASP A 40 2.321 27.216 -11.612 1.00 0.00 O ATOM 618 CB ASP A 40 2.468 30.493 -12.768 1.00 0.00 C ATOM 619 CG ASP A 40 2.346 31.971 -12.452 1.00 0.00 C ATOM 620 OD1 ASP A 40 1.241 32.406 -12.063 1.00 0.00 O ATOM 621 OD2 ASP A 40 3.355 32.694 -12.593 1.00 0.00 O ATOM 0 H ASP A 40 3.813 28.756 -10.712 1.00 0.00 H new ATOM 0 HA ASP A 40 1.232 30.030 -11.068 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.490 30.274 -13.079 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.820 30.249 -13.610 1.00 0.00 H new ATOM 626 N GLY A 41 0.779 28.133 -12.972 1.00 0.00 N ATOM 627 CA GLY A 41 0.351 26.850 -13.501 1.00 0.00 C ATOM 628 C GLY A 41 -1.102 26.553 -13.187 1.00 0.00 C ATOM 629 O GLY A 41 -1.935 27.460 -13.160 1.00 0.00 O ATOM 0 H GLY A 41 0.287 28.940 -13.356 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.497 26.838 -14.581 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.978 26.061 -13.086 1.00 0.00 H new ATOM 633 N GLU A 42 -1.411 25.281 -12.950 1.00 0.00 N ATOM 634 CA GLU A 42 -2.776 24.875 -12.638 1.00 0.00 C ATOM 635 C GLU A 42 -2.788 23.662 -11.713 1.00 0.00 C ATOM 636 O GLU A 42 -1.824 22.897 -11.663 1.00 0.00 O ATOM 637 CB GLU A 42 -3.544 24.558 -13.922 1.00 0.00 C ATOM 638 CG GLU A 42 -3.780 25.773 -14.803 1.00 0.00 C ATOM 639 CD GLU A 42 -5.034 25.647 -15.647 1.00 0.00 C ATOM 640 OE1 GLU A 42 -6.076 25.224 -15.103 1.00 0.00 O ATOM 641 OE2 GLU A 42 -4.973 25.970 -16.852 1.00 0.00 O ATOM 0 H GLU A 42 -0.736 24.516 -12.968 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.264 25.704 -12.126 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.993 23.809 -14.490 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.506 24.116 -13.661 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.856 26.662 -14.177 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.919 25.916 -15.457 1.00 0.00 H new ATOM 648 N TRP A 43 -3.884 23.493 -10.982 1.00 0.00 N ATOM 649 CA TRP A 43 -4.022 22.374 -10.058 1.00 0.00 C ATOM 650 C TRP A 43 -4.235 21.067 -10.804 1.00 0.00 C ATOM 651 O TRP A 43 -5.226 20.895 -11.514 1.00 0.00 O ATOM 652 CB TRP A 43 -5.180 22.622 -9.089 1.00 0.00 C ATOM 653 CG TRP A 43 -4.852 23.620 -8.022 1.00 0.00 C ATOM 654 CD1 TRP A 43 -5.200 24.939 -7.999 1.00 0.00 C ATOM 655 CD2 TRP A 43 -4.103 23.381 -6.824 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.717 25.536 -6.860 1.00 0.00 N ATOM 657 CE2 TRP A 43 -4.041 24.600 -6.122 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.483 22.256 -6.276 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.381 24.723 -4.902 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -2.829 22.380 -5.064 1.00 0.00 C ATOM 661 CH2 TRP A 43 -2.782 23.605 -4.388 1.00 0.00 C ATOM 0 H TRP A 43 -4.690 24.117 -11.012 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.095 22.293 -9.490 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.047 22.971 -9.650 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.462 21.679 -8.621 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.772 25.441 -8.765 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.841 26.516 -6.605 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.514 21.306 -6.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.343 25.668 -4.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.346 21.516 -4.631 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.263 23.669 -3.443 1.00 0.00 H new ATOM 672 N THR A 44 -3.296 20.145 -10.632 1.00 0.00 N ATOM 673 CA THR A 44 -3.373 18.846 -11.279 1.00 0.00 C ATOM 674 C THR A 44 -3.643 17.755 -10.251 1.00 0.00 C ATOM 675 O THR A 44 -3.087 17.768 -9.153 1.00 0.00 O ATOM 676 CB THR A 44 -2.078 18.547 -12.035 1.00 0.00 C ATOM 677 OG1 THR A 44 -0.978 18.502 -11.144 1.00 0.00 O ATOM 678 CG2 THR A 44 -1.761 19.567 -13.106 1.00 0.00 C ATOM 0 H THR A 44 -2.470 20.276 -10.047 1.00 0.00 H new ATOM 0 HA THR A 44 -4.197 18.866 -11.992 1.00 0.00 H new ATOM 0 HB THR A 44 -2.239 17.581 -12.514 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.303 18.541 -10.220 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.830 19.295 -13.603 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.569 19.590 -13.837 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.655 20.552 -12.651 1.00 0.00 H new ATOM 686 N TYR A 45 -4.495 16.813 -10.621 1.00 0.00 N ATOM 687 CA TYR A 45 -4.844 15.706 -9.741 1.00 0.00 C ATOM 688 C TYR A 45 -3.666 14.750 -9.577 1.00 0.00 C ATOM 689 O TYR A 45 -2.920 14.503 -10.525 1.00 0.00 O ATOM 690 CB TYR A 45 -6.057 14.953 -10.289 1.00 0.00 C ATOM 691 CG TYR A 45 -7.376 15.629 -9.985 1.00 0.00 C ATOM 692 CD1 TYR A 45 -7.995 15.461 -8.753 1.00 0.00 C ATOM 693 CD2 TYR A 45 -7.999 16.434 -10.929 1.00 0.00 C ATOM 694 CE1 TYR A 45 -9.200 16.077 -8.471 1.00 0.00 C ATOM 695 CE2 TYR A 45 -9.203 17.054 -10.655 1.00 0.00 C ATOM 696 CZ TYR A 45 -9.800 16.872 -9.424 1.00 0.00 C ATOM 697 OH TYR A 45 -10.999 17.488 -9.147 1.00 0.00 O ATOM 0 H TYR A 45 -4.960 16.792 -11.528 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.094 16.117 -8.763 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.952 14.848 -11.369 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.069 13.946 -9.871 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.528 14.839 -8.004 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.535 16.578 -11.893 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.669 15.936 -7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.674 17.678 -11.400 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.285 18.012 -9.924 1.00 0.00 H new ATOM 707 N ASP A 46 -3.505 14.214 -8.371 1.00 0.00 N ATOM 708 CA ASP A 46 -2.418 13.283 -8.088 1.00 0.00 C ATOM 709 C ASP A 46 -2.669 11.936 -8.757 1.00 0.00 C ATOM 710 O ASP A 46 -3.807 11.596 -9.079 1.00 0.00 O ATOM 711 CB ASP A 46 -2.269 13.077 -6.578 1.00 0.00 C ATOM 712 CG ASP A 46 -1.504 14.199 -5.905 1.00 0.00 C ATOM 713 OD1 ASP A 46 -2.047 15.318 -5.817 1.00 0.00 O ATOM 714 OD2 ASP A 46 -0.361 13.954 -5.462 1.00 0.00 O ATOM 0 H ASP A 46 -4.113 14.408 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.499 13.712 -8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.258 12.997 -6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.757 12.133 -6.393 1.00 0.00 H new ATOM 719 N ASP A 47 -1.602 11.172 -8.961 1.00 0.00 N ATOM 720 CA ASP A 47 -1.713 9.862 -9.590 1.00 0.00 C ATOM 721 C ASP A 47 -2.505 8.908 -8.701 1.00 0.00 C ATOM 722 O ASP A 47 -2.234 8.789 -7.506 1.00 0.00 O ATOM 723 CB ASP A 47 -0.324 9.285 -9.870 1.00 0.00 C ATOM 724 CG ASP A 47 -0.371 8.091 -10.801 1.00 0.00 C ATOM 725 OD1 ASP A 47 -0.674 8.283 -11.998 1.00 0.00 O ATOM 726 OD2 ASP A 47 -0.106 6.963 -10.335 1.00 0.00 O ATOM 0 H ASP A 47 -0.652 11.437 -8.700 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.242 9.980 -10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.306 10.059 -10.308 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.140 8.990 -8.929 1.00 0.00 H new ATOM 731 N ALA A 48 -3.494 8.241 -9.289 1.00 0.00 N ATOM 732 CA ALA A 48 -4.339 7.309 -8.551 1.00 0.00 C ATOM 733 C ALA A 48 -3.516 6.243 -7.834 1.00 0.00 C ATOM 734 O ALA A 48 -2.511 5.760 -8.356 1.00 0.00 O ATOM 735 CB ALA A 48 -5.345 6.659 -9.487 1.00 0.00 C ATOM 0 H ALA A 48 -3.730 8.329 -10.277 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.873 7.878 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.970 5.965 -8.924 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.972 7.428 -9.938 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.816 6.117 -10.270 1.00 0.00 H new ATOM 741 N THR A 49 -3.957 5.883 -6.632 1.00 0.00 N ATOM 742 CA THR A 49 -3.279 4.874 -5.826 1.00 0.00 C ATOM 743 C THR A 49 -4.296 3.969 -5.136 1.00 0.00 C ATOM 744 O THR A 49 -5.445 4.359 -4.934 1.00 0.00 O ATOM 745 CB THR A 49 -2.381 5.541 -4.783 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.709 6.657 -5.339 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.332 4.611 -4.212 1.00 0.00 C ATOM 0 H THR A 49 -4.788 6.279 -6.192 1.00 0.00 H new ATOM 0 HA THR A 49 -2.661 4.266 -6.487 1.00 0.00 H new ATOM 0 HB THR A 49 -3.051 5.844 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.141 7.071 -4.656 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.730 5.148 -3.479 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.820 3.764 -3.730 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.689 4.251 -5.015 1.00 0.00 H new ATOM 755 N LYS A 50 -3.873 2.758 -4.782 1.00 0.00 N ATOM 756 CA LYS A 50 -4.767 1.811 -4.122 1.00 0.00 C ATOM 757 C LYS A 50 -4.153 1.269 -2.834 1.00 0.00 C ATOM 758 O LYS A 50 -3.054 0.712 -2.838 1.00 0.00 O ATOM 759 CB LYS A 50 -5.100 0.655 -5.066 1.00 0.00 C ATOM 760 CG LYS A 50 -6.297 0.931 -5.962 1.00 0.00 C ATOM 761 CD LYS A 50 -6.650 -0.281 -6.808 1.00 0.00 C ATOM 762 CE LYS A 50 -5.704 -0.432 -7.988 1.00 0.00 C ATOM 763 NZ LYS A 50 -6.287 -1.281 -9.062 1.00 0.00 N ATOM 0 H LYS A 50 -2.926 2.412 -4.939 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.683 2.342 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.231 0.443 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.296 -0.241 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.154 1.211 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.079 1.779 -6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.611 -1.180 -6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.674 -0.187 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.467 0.552 -8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.766 -0.871 -7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.611 -1.359 -9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.489 -2.229 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.169 -0.850 -9.405 1.00 0.00 H new ATOM 777 N THR A 51 -4.881 1.436 -1.734 1.00 0.00 N ATOM 778 CA THR A 51 -4.431 0.965 -0.429 1.00 0.00 C ATOM 779 C THR A 51 -5.231 -0.270 -0.008 1.00 0.00 C ATOM 780 O THR A 51 -6.455 -0.294 -0.127 1.00 0.00 O ATOM 781 CB THR A 51 -4.576 2.090 0.603 1.00 0.00 C ATOM 782 OG1 THR A 51 -3.651 3.128 0.335 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.351 1.641 2.033 1.00 0.00 C ATOM 0 H THR A 51 -5.791 1.897 -1.721 1.00 0.00 H new ATOM 0 HA THR A 51 -3.380 0.682 -0.490 1.00 0.00 H new ATOM 0 HB THR A 51 -5.607 2.431 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.075 3.995 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.470 2.491 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.077 0.870 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.343 1.238 2.134 1.00 0.00 H new ATOM 791 N PHE A 52 -4.533 -1.292 0.483 1.00 0.00 N ATOM 792 CA PHE A 52 -5.183 -2.525 0.918 1.00 0.00 C ATOM 793 C PHE A 52 -5.769 -2.385 2.320 1.00 0.00 C ATOM 794 O PHE A 52 -5.038 -2.168 3.286 1.00 0.00 O ATOM 795 CB PHE A 52 -4.195 -3.694 0.886 1.00 0.00 C ATOM 796 CG PHE A 52 -4.840 -5.030 1.123 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.421 -5.731 0.077 1.00 0.00 C ATOM 798 CD2 PHE A 52 -4.867 -5.586 2.393 1.00 0.00 C ATOM 799 CE1 PHE A 52 -6.016 -6.960 0.294 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.461 -6.814 2.615 1.00 0.00 C ATOM 801 CZ PHE A 52 -6.036 -7.502 1.564 1.00 0.00 C ATOM 0 H PHE A 52 -3.519 -1.290 0.589 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.000 -2.725 0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.693 -3.708 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.427 -3.531 1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.409 -5.312 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.419 -5.053 3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.465 -7.496 -0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.476 -7.235 3.609 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.500 -8.462 1.735 1.00 0.00 H new ATOM 811 N THR A 53 -7.084 -2.526 2.427 1.00 0.00 N ATOM 812 CA THR A 53 -7.755 -2.431 3.718 1.00 0.00 C ATOM 813 C THR A 53 -7.874 -3.812 4.357 1.00 0.00 C ATOM 814 O THR A 53 -8.461 -4.725 3.776 1.00 0.00 O ATOM 815 CB THR A 53 -9.143 -1.806 3.556 1.00 0.00 C ATOM 816 OG1 THR A 53 -9.046 -0.505 3.005 1.00 0.00 O ATOM 817 CG2 THR A 53 -9.907 -1.695 4.859 1.00 0.00 C ATOM 0 H THR A 53 -7.706 -2.706 1.639 1.00 0.00 H new ATOM 0 HA THR A 53 -7.158 -1.792 4.369 1.00 0.00 H new ATOM 0 HB THR A 53 -9.685 -2.478 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.509 -0.536 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.882 -1.244 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.043 -2.688 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.347 -1.073 5.557 1.00 0.00 H new ATOM 825 N VAL A 54 -7.308 -3.964 5.550 1.00 0.00 N ATOM 826 CA VAL A 54 -7.353 -5.241 6.254 1.00 0.00 C ATOM 827 C VAL A 54 -8.759 -5.538 6.758 1.00 0.00 C ATOM 828 O VAL A 54 -9.567 -4.629 6.946 1.00 0.00 O ATOM 829 CB VAL A 54 -6.381 -5.272 7.449 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.199 -6.697 7.949 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.041 -4.658 7.073 1.00 0.00 C ATOM 0 H VAL A 54 -6.815 -3.223 6.048 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.051 -6.002 5.534 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.810 -4.676 8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.509 -6.701 8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.162 -7.097 8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.795 -7.315 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.372 -4.691 7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.602 -5.220 6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.188 -3.622 6.768 1.00 0.00 H new ATOM 841 N THR A 55 -9.045 -6.817 6.973 1.00 0.00 N ATOM 842 CA THR A 55 -10.357 -7.234 7.454 1.00 0.00 C ATOM 843 C THR A 55 -10.250 -8.478 8.328 1.00 0.00 C ATOM 844 O THR A 55 -10.414 -8.409 9.547 1.00 0.00 O ATOM 845 CB THR A 55 -11.295 -7.495 6.275 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.409 -6.341 5.462 1.00 0.00 O ATOM 847 CG2 THR A 55 -12.692 -7.897 6.698 1.00 0.00 C ATOM 0 H THR A 55 -8.387 -7.582 6.822 1.00 0.00 H new ATOM 0 HA THR A 55 -10.767 -6.427 8.061 1.00 0.00 H new ATOM 0 HB THR A 55 -10.846 -8.324 5.727 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.128 -6.471 4.808 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.305 -8.067 5.813 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.644 -8.812 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.134 -7.101 7.298 1.00 0.00 H new ATOM 855 N GLU A 56 -9.977 -9.612 7.698 1.00 0.00 N ATOM 856 CA GLU A 56 -9.848 -10.874 8.418 1.00 0.00 C ATOM 857 C GLU A 56 -8.386 -11.185 8.719 1.00 0.00 C ATOM 858 O GLU A 56 -8.089 -12.345 9.070 1.00 0.00 O ATOM 859 CB GLU A 56 -10.469 -12.014 7.608 1.00 0.00 C ATOM 860 CG GLU A 56 -11.930 -12.272 7.943 1.00 0.00 C ATOM 861 CD GLU A 56 -12.657 -13.018 6.843 1.00 0.00 C ATOM 862 OE1 GLU A 56 -12.397 -12.729 5.656 1.00 0.00 O ATOM 863 OE2 GLU A 56 -13.490 -13.891 7.168 1.00 0.00 O ATOM 864 OXT GLU A 56 -7.550 -10.264 8.600 1.00 0.00 O ATOM 0 H GLU A 56 -9.840 -9.685 6.690 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.380 -10.778 9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.383 -11.783 6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.898 -12.926 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.991 -12.846 8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.431 -11.321 8.124 1.00 0.00 H new ATOM 872 N MET B 1 -10.400 17.021 1.750 1.00 0.00 N ATOM 873 CA MET B 1 -9.526 16.926 0.551 1.00 0.00 C ATOM 874 C MET B 1 -8.061 17.123 0.921 1.00 0.00 C ATOM 875 O MET B 1 -7.706 18.078 1.609 1.00 0.00 O ATOM 876 CB MET B 1 -9.967 17.985 -0.461 1.00 0.00 C ATOM 877 CG MET B 1 -11.009 17.486 -1.449 1.00 0.00 C ATOM 878 SD MET B 1 -10.285 16.961 -3.015 1.00 0.00 S ATOM 879 CE MET B 1 -8.958 15.905 -2.437 1.00 0.00 C ATOM 0 H1 MET B 1 -11.393 16.900 1.466 1.00 0.00 H new ATOM 0 H2 MET B 1 -10.141 16.277 2.429 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.278 17.953 2.195 1.00 0.00 H new ATOM 0 HA MET B 1 -9.622 15.931 0.115 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.370 18.844 0.076 1.00 0.00 H new ATOM 0 HB3 MET B 1 -9.094 18.335 -1.012 1.00 0.00 H new ATOM 0 HG2 MET B 1 -11.553 16.652 -1.007 1.00 0.00 H new ATOM 0 HG3 MET B 1 -11.735 18.277 -1.636 1.00 0.00 H new ATOM 0 HE1 MET B 1 -8.529 15.365 -3.281 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.187 16.515 -1.966 1.00 0.00 H new ATOM 0 HE3 MET B 1 -9.350 15.192 -1.712 1.00 0.00 H new ATOM 891 N GLN B 2 -7.214 16.212 0.454 1.00 0.00 N ATOM 892 CA GLN B 2 -5.784 16.282 0.730 1.00 0.00 C ATOM 893 C GLN B 2 -5.069 17.087 -0.347 1.00 0.00 C ATOM 894 O GLN B 2 -5.168 16.777 -1.535 1.00 0.00 O ATOM 895 CB GLN B 2 -5.189 14.875 0.814 1.00 0.00 C ATOM 896 CG GLN B 2 -3.831 14.826 1.493 1.00 0.00 C ATOM 897 CD GLN B 2 -3.550 13.484 2.139 1.00 0.00 C ATOM 898 OE1 GLN B 2 -3.232 13.408 3.325 1.00 0.00 O ATOM 899 NE2 GLN B 2 -3.666 12.416 1.358 1.00 0.00 N ATOM 0 H GLN B 2 -7.494 15.415 -0.118 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.645 16.782 1.688 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.880 14.230 1.356 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.097 14.468 -0.193 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -3.054 15.042 0.759 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.779 15.608 2.251 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -3.932 12.526 0.380 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -3.489 11.486 1.737 1.00 0.00 H new ATOM 908 N TYR B 3 -4.358 18.129 0.071 1.00 0.00 N ATOM 909 CA TYR B 3 -3.641 18.982 -0.868 1.00 0.00 C ATOM 910 C TYR B 3 -2.129 18.818 -0.753 1.00 0.00 C ATOM 911 O TYR B 3 -1.562 18.838 0.341 1.00 0.00 O ATOM 912 CB TYR B 3 -4.031 20.447 -0.667 1.00 0.00 C ATOM 913 CG TYR B 3 -5.337 20.813 -1.334 1.00 0.00 C ATOM 914 CD1 TYR B 3 -5.379 21.116 -2.689 1.00 0.00 C ATOM 915 CD2 TYR B 3 -6.526 20.851 -0.617 1.00 0.00 C ATOM 916 CE1 TYR B 3 -6.567 21.448 -3.311 1.00 0.00 C ATOM 917 CE2 TYR B 3 -7.720 21.182 -1.231 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.734 21.480 -2.578 1.00 0.00 C ATOM 919 OH TYR B 3 -8.920 21.808 -3.194 1.00 0.00 O ATOM 0 H TYR B 3 -4.263 18.402 1.049 1.00 0.00 H new ATOM 0 HA TYR B 3 -3.929 18.669 -1.872 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -4.106 20.653 0.401 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.239 21.084 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.467 21.092 -3.266 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.518 20.618 0.438 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.581 21.681 -4.365 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.636 21.207 -0.660 1.00 0.00 H new ATOM 0 HH TYR B 3 -9.003 22.783 -3.245 1.00 0.00 H new ATOM 929 N LYS B 4 -1.495 18.655 -1.908 1.00 0.00 N ATOM 930 CA LYS B 4 -0.049 18.485 -1.985 1.00 0.00 C ATOM 931 C LYS B 4 0.617 19.748 -2.521 1.00 0.00 C ATOM 932 O LYS B 4 0.255 20.248 -3.587 1.00 0.00 O ATOM 933 CB LYS B 4 0.301 17.294 -2.879 1.00 0.00 C ATOM 934 CG LYS B 4 -0.282 15.975 -2.395 1.00 0.00 C ATOM 935 CD LYS B 4 0.740 15.170 -1.607 1.00 0.00 C ATOM 936 CE LYS B 4 1.683 14.412 -2.526 1.00 0.00 C ATOM 937 NZ LYS B 4 2.351 13.280 -1.826 1.00 0.00 N ATOM 0 H LYS B 4 -1.965 18.637 -2.813 1.00 0.00 H new ATOM 0 HA LYS B 4 0.323 18.296 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.058 17.491 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.385 17.202 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -1.154 16.169 -1.770 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -0.625 15.392 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.315 15.838 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS B 4 0.224 14.467 -0.953 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.127 14.031 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.438 15.095 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.986 12.789 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.903 13.645 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.632 12.614 -1.477 1.00 0.00 H new ATOM 951 N VAL B 5 1.591 20.261 -1.775 1.00 0.00 N ATOM 952 CA VAL B 5 2.307 21.467 -2.175 1.00 0.00 C ATOM 953 C VAL B 5 3.786 21.366 -1.818 1.00 0.00 C ATOM 954 O VAL B 5 4.141 21.183 -0.654 1.00 0.00 O ATOM 955 CB VAL B 5 1.711 22.719 -1.504 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.329 23.983 -2.084 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.197 22.739 -1.658 1.00 0.00 C ATOM 0 H VAL B 5 1.902 19.860 -0.890 1.00 0.00 H new ATOM 0 HA VAL B 5 2.202 21.559 -3.256 1.00 0.00 H new ATOM 0 HB VAL B 5 1.945 22.683 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL B 5 1.895 24.857 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.406 23.972 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.129 24.028 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -0.206 23.631 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -0.061 22.749 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -0.228 21.851 -1.190 1.00 0.00 H new ATOM 967 N ILE B 6 4.646 21.482 -2.825 1.00 0.00 N ATOM 968 CA ILE B 6 6.086 21.398 -2.615 1.00 0.00 C ATOM 969 C ILE B 6 6.715 22.782 -2.455 1.00 0.00 C ATOM 970 O ILE B 6 6.695 23.594 -3.380 1.00 0.00 O ATOM 971 CB ILE B 6 6.778 20.673 -3.785 1.00 0.00 C ATOM 972 CG1 ILE B 6 6.044 19.370 -4.114 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.236 20.396 -3.455 1.00 0.00 C ATOM 974 CD1 ILE B 6 6.503 18.727 -5.406 1.00 0.00 C ATOM 0 H ILE B 6 4.370 21.635 -3.795 1.00 0.00 H new ATOM 0 HA ILE B 6 6.232 20.831 -1.696 1.00 0.00 H new ATOM 0 HB ILE B 6 6.743 21.320 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.188 18.665 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE B 6 4.975 19.571 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE B 6 8.708 19.883 -4.293 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.752 21.338 -3.269 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.295 19.768 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE B 6 5.940 17.809 -5.575 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.334 19.414 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.566 18.494 -5.339 1.00 0.00 H new ATOM 986 N LEU B 7 7.291 23.034 -1.284 1.00 0.00 N ATOM 987 CA LEU B 7 7.948 24.309 -1.010 1.00 0.00 C ATOM 988 C LEU B 7 9.463 24.129 -1.050 1.00 0.00 C ATOM 989 O LEU B 7 10.012 23.291 -0.335 1.00 0.00 O ATOM 990 CB LEU B 7 7.511 24.865 0.351 1.00 0.00 C ATOM 991 CG LEU B 7 6.345 25.861 0.304 1.00 0.00 C ATOM 992 CD1 LEU B 7 5.039 25.171 0.665 1.00 0.00 C ATOM 993 CD2 LEU B 7 6.603 27.037 1.240 1.00 0.00 C ATOM 0 H LEU B 7 7.317 22.372 -0.508 1.00 0.00 H new ATOM 0 HA LEU B 7 7.654 25.025 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.230 24.031 0.993 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.366 25.353 0.818 1.00 0.00 H new ATOM 0 HG LEU B 7 6.264 26.244 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.223 25.893 0.626 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.845 24.366 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.111 24.759 1.671 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.764 27.731 1.192 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.713 26.672 2.261 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.516 27.549 0.937 1.00 0.00 H new ATOM 1208 N ASP B 22 10.258 28.901 1.454 1.00 0.00 N ATOM 1209 CA ASP B 22 10.831 28.231 2.616 1.00 0.00 C ATOM 1210 C ASP B 22 9.809 27.361 3.333 1.00 0.00 C ATOM 1211 O ASP B 22 8.660 27.751 3.525 1.00 0.00 O ATOM 1212 CB ASP B 22 11.387 29.273 3.585 1.00 0.00 C ATOM 1213 CG ASP B 22 12.199 28.653 4.703 1.00 0.00 C ATOM 1214 OD1 ASP B 22 11.597 28.243 5.718 1.00 0.00 O ATOM 1215 OD2 ASP B 22 13.439 28.576 4.565 1.00 0.00 O ATOM 0 HA ASP B 22 11.631 27.580 2.263 1.00 0.00 H new ATOM 0 HB2 ASP B 22 12.011 29.978 3.036 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.562 29.843 4.013 1.00 0.00 H new ATOM 1220 N ALA B 23 10.250 26.178 3.734 1.00 0.00 N ATOM 1221 CA ALA B 23 9.398 25.235 4.444 1.00 0.00 C ATOM 1222 C ALA B 23 8.630 25.926 5.573 1.00 0.00 C ATOM 1223 O ALA B 23 7.444 25.671 5.778 1.00 0.00 O ATOM 1224 CB ALA B 23 10.249 24.099 4.984 1.00 0.00 C ATOM 0 H ALA B 23 11.202 25.846 3.578 1.00 0.00 H new ATOM 0 HA ALA B 23 8.660 24.832 3.750 1.00 0.00 H new ATOM 0 HB1 ALA B 23 9.615 23.390 5.517 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.745 23.591 4.157 1.00 0.00 H new ATOM 0 HB3 ALA B 23 10.999 24.499 5.667 1.00 0.00 H new ATOM 1230 N ALA B 24 9.318 26.808 6.295 1.00 0.00 N ATOM 1231 CA ALA B 24 8.709 27.547 7.397 1.00 0.00 C ATOM 1232 C ALA B 24 7.662 28.535 6.890 1.00 0.00 C ATOM 1233 O ALA B 24 6.717 28.873 7.603 1.00 0.00 O ATOM 1234 CB ALA B 24 9.779 28.276 8.197 1.00 0.00 C ATOM 0 H ALA B 24 10.301 27.028 6.135 1.00 0.00 H new ATOM 0 HA ALA B 24 8.207 26.830 8.046 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.312 28.823 9.016 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.487 27.553 8.601 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.306 28.975 7.548 1.00 0.00 H new ATOM 1240 N THR B 25 7.840 28.996 5.656 1.00 0.00 N ATOM 1241 CA THR B 25 6.914 29.948 5.050 1.00 0.00 C ATOM 1242 C THR B 25 5.517 29.341 4.952 1.00 0.00 C ATOM 1243 O THR B 25 4.516 30.021 5.179 1.00 0.00 O ATOM 1244 CB THR B 25 7.424 30.357 3.662 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.622 31.107 3.768 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.441 31.187 2.866 1.00 0.00 C ATOM 0 H THR B 25 8.618 28.725 5.055 1.00 0.00 H new ATOM 0 HA THR B 25 6.856 30.837 5.678 1.00 0.00 H new ATOM 0 HB THR B 25 7.583 29.416 3.136 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.932 31.357 2.872 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.875 31.436 1.898 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.523 30.619 2.717 1.00 0.00 H new ATOM 0 HG23 THR B 25 6.216 32.105 3.409 1.00 0.00 H new ATOM 1254 N PHE B 26 5.465 28.053 4.638 1.00 0.00 N ATOM 1255 CA PHE B 26 4.194 27.344 4.540 1.00 0.00 C ATOM 1256 C PHE B 26 3.557 27.184 5.917 1.00 0.00 C ATOM 1257 O PHE B 26 2.377 27.475 6.107 1.00 0.00 O ATOM 1258 CB PHE B 26 4.377 25.972 3.891 1.00 0.00 C ATOM 1259 CG PHE B 26 3.078 25.339 3.479 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.289 25.924 2.501 1.00 0.00 C ATOM 1261 CD2 PHE B 26 2.641 24.167 4.074 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.089 25.352 2.124 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.442 23.588 3.699 1.00 0.00 C ATOM 1264 CZ PHE B 26 0.665 24.182 2.723 1.00 0.00 C ATOM 0 H PHE B 26 6.286 27.478 4.447 1.00 0.00 H new ATOM 0 HA PHE B 26 3.532 27.940 3.911 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.019 26.073 3.016 1.00 0.00 H new ATOM 0 HB3 PHE B 26 4.891 25.312 4.589 1.00 0.00 H new ATOM 0 HD1 PHE B 26 2.616 26.838 2.028 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.243 23.700 4.839 1.00 0.00 H new ATOM 0 HE1 PHE B 26 0.483 25.819 1.362 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.114 22.673 4.169 1.00 0.00 H new ATOM 0 HZ PHE B 26 -0.272 23.732 2.429 1.00 0.00 H new ATOM 1274 N GLU B 27 4.351 26.702 6.871 1.00 0.00 N ATOM 1275 CA GLU B 27 3.876 26.479 8.235 1.00 0.00 C ATOM 1276 C GLU B 27 3.230 27.729 8.827 1.00 0.00 C ATOM 1277 O GLU B 27 2.115 27.674 9.346 1.00 0.00 O ATOM 1278 CB GLU B 27 5.033 26.023 9.128 1.00 0.00 C ATOM 1279 CG GLU B 27 5.825 24.859 8.552 1.00 0.00 C ATOM 1280 CD GLU B 27 6.553 24.065 9.620 1.00 0.00 C ATOM 1281 OE1 GLU B 27 7.123 24.690 10.539 1.00 0.00 O ATOM 1282 OE2 GLU B 27 6.553 22.820 9.535 1.00 0.00 O ATOM 0 H GLU B 27 5.330 26.458 6.723 1.00 0.00 H new ATOM 0 HA GLU B 27 3.115 25.700 8.191 1.00 0.00 H new ATOM 0 HB2 GLU B 27 5.707 26.864 9.293 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.638 25.736 10.102 1.00 0.00 H new ATOM 0 HG2 GLU B 27 5.149 24.198 8.010 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.548 25.238 7.830 1.00 0.00 H new ATOM 1289 N LYS B 28 3.945 28.847 8.774 1.00 0.00 N ATOM 1290 CA LYS B 28 3.449 30.101 9.334 1.00 0.00 C ATOM 1291 C LYS B 28 2.227 30.625 8.581 1.00 0.00 C ATOM 1292 O LYS B 28 1.220 30.980 9.196 1.00 0.00 O ATOM 1293 CB LYS B 28 4.557 31.156 9.316 1.00 0.00 C ATOM 1294 CG LYS B 28 4.173 32.455 10.004 1.00 0.00 C ATOM 1295 CD LYS B 28 5.243 33.521 9.818 1.00 0.00 C ATOM 1296 CE LYS B 28 6.299 33.447 10.907 1.00 0.00 C ATOM 1297 NZ LYS B 28 7.308 34.536 10.778 1.00 0.00 N ATOM 0 H LYS B 28 4.870 28.912 8.349 1.00 0.00 H new ATOM 0 HA LYS B 28 3.144 29.900 10.361 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.444 30.747 9.800 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.827 31.369 8.282 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.226 32.815 9.602 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.020 32.273 11.068 1.00 0.00 H new ATOM 0 HD2 LYS B 28 5.715 33.398 8.843 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.780 34.508 9.825 1.00 0.00 H new ATOM 0 HE2 LYS B 28 5.819 33.511 11.883 1.00 0.00 H new ATOM 0 HE3 LYS B 28 6.800 32.480 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.011 34.450 11.540 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 7.785 34.460 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 6.834 35.459 10.847 1.00 0.00 H new ATOM 1311 N VAL B 29 2.311 30.678 7.257 1.00 0.00 N ATOM 1312 CA VAL B 29 1.205 31.167 6.439 1.00 0.00 C ATOM 1313 C VAL B 29 -0.041 30.295 6.582 1.00 0.00 C ATOM 1314 O VAL B 29 -1.159 30.805 6.645 1.00 0.00 O ATOM 1315 CB VAL B 29 1.598 31.243 4.950 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.431 31.744 4.108 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.817 32.133 4.766 1.00 0.00 C ATOM 0 H VAL B 29 3.133 30.389 6.726 1.00 0.00 H new ATOM 0 HA VAL B 29 0.975 32.168 6.803 1.00 0.00 H new ATOM 0 HB VAL B 29 1.852 30.239 4.611 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.731 31.790 3.061 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.413 31.063 4.214 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.139 32.739 4.446 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.080 32.175 3.709 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.592 33.137 5.124 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.654 31.725 5.333 1.00 0.00 H new ATOM 1327 N VAL B 30 0.155 28.982 6.618 1.00 0.00 N ATOM 1328 CA VAL B 30 -0.962 28.050 6.736 1.00 0.00 C ATOM 1329 C VAL B 30 -1.604 28.106 8.118 1.00 0.00 C ATOM 1330 O VAL B 30 -2.829 28.154 8.232 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.534 26.601 6.420 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.716 25.648 6.540 1.00 0.00 C ATOM 1333 CG2 VAL B 30 0.075 26.521 5.029 1.00 0.00 C ATOM 0 H VAL B 30 1.073 28.539 6.567 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.701 28.363 5.998 1.00 0.00 H new ATOM 0 HB VAL B 30 0.219 26.301 7.148 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.390 24.633 6.313 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.110 25.683 7.556 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.495 25.944 5.838 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.372 25.493 4.820 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.660 26.843 4.291 1.00 0.00 H new ATOM 0 HG23 VAL B 30 0.950 27.169 4.977 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.789 28.110 9.167 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.311 28.171 10.525 1.00 0.00 C ATOM 1345 C LYS B 31 -2.050 29.484 10.752 1.00 0.00 C ATOM 1346 O LYS B 31 -3.150 29.506 11.300 1.00 0.00 O ATOM 1347 CB LYS B 31 -0.167 28.035 11.535 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.627 27.980 12.983 1.00 0.00 C ATOM 1349 CD LYS B 31 0.555 27.952 13.939 1.00 0.00 C ATOM 1350 CE LYS B 31 0.103 27.996 15.389 1.00 0.00 C ATOM 1351 NZ LYS B 31 1.151 28.566 16.281 1.00 0.00 N ATOM 0 H LYS B 31 0.228 28.072 9.103 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.010 27.347 10.665 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.398 27.131 11.309 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.515 28.876 11.412 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.253 28.845 13.201 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.243 27.094 13.137 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.141 27.049 13.767 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.209 28.800 13.735 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -0.805 28.594 15.468 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.148 26.989 15.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.803 28.579 17.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.009 27.982 16.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.373 29.536 15.980 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.436 30.577 10.316 1.00 0.00 N ATOM 1366 CA GLN B 32 -2.032 31.898 10.461 1.00 0.00 C ATOM 1367 C GLN B 32 -3.337 32.002 9.678 1.00 0.00 C ATOM 1368 O GLN B 32 -4.344 32.480 10.199 1.00 0.00 O ATOM 1369 CB GLN B 32 -1.054 32.978 9.994 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.497 34.390 10.339 1.00 0.00 C ATOM 1371 CD GLN B 32 -0.393 35.411 10.143 1.00 0.00 C ATOM 1372 OE1 GLN B 32 -0.535 36.352 9.363 1.00 0.00 O ATOM 1373 NE2 GLN B 32 0.714 35.229 10.852 1.00 0.00 N ATOM 0 H GLN B 32 -0.524 30.574 9.859 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.254 32.051 11.517 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -0.079 32.792 10.444 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -0.927 32.899 8.914 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -2.352 34.661 9.719 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -1.834 34.418 11.375 1.00 0.00 H new ATOM 0 HE21 GLN B 32 0.788 34.434 11.487 1.00 0.00 H new ATOM 0 HE22 GLN B 32 1.491 35.884 10.762 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.320 31.546 8.426 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.501 31.580 7.574 1.00 0.00 C ATOM 1384 C PHE B 33 -5.601 30.635 8.063 1.00 0.00 C ATOM 1385 O PHE B 33 -6.768 31.020 8.129 1.00 0.00 O ATOM 1386 CB PHE B 33 -4.078 31.287 6.124 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.162 30.766 5.219 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.327 31.481 4.994 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -4.983 29.559 4.565 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.299 30.991 4.138 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.948 29.065 3.711 1.00 0.00 C ATOM 1392 CZ PHE B 33 -7.106 29.779 3.496 1.00 0.00 C ATOM 0 H PHE B 33 -2.494 31.147 7.980 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.941 32.576 7.620 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.677 32.203 5.690 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.265 30.561 6.142 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.478 32.428 5.490 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -4.075 28.996 4.725 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.206 31.553 3.971 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.795 28.120 3.212 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.862 29.394 2.828 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.234 29.404 8.402 1.00 0.00 N ATOM 1403 CA PHE B 34 -6.213 28.430 8.877 1.00 0.00 C ATOM 1404 C PHE B 34 -6.673 28.702 10.311 1.00 0.00 C ATOM 1405 O PHE B 34 -7.831 28.455 10.645 1.00 0.00 O ATOM 1406 CB PHE B 34 -5.689 27.005 8.701 1.00 0.00 C ATOM 1407 CG PHE B 34 -5.891 26.522 7.294 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -5.015 26.886 6.282 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -6.987 25.737 6.975 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -5.233 26.476 4.980 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -7.206 25.320 5.678 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.331 25.692 4.677 1.00 0.00 C ATOM 0 H PHE B 34 -4.275 29.058 8.358 1.00 0.00 H new ATOM 0 HA PHE B 34 -7.103 28.539 8.257 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -4.629 26.971 8.951 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.201 26.338 9.394 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -4.154 27.496 6.514 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -7.679 25.448 7.752 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -4.546 26.768 4.200 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -8.061 24.703 5.446 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.504 25.372 3.660 1.00 0.00 H new ATOM 1422 N ASN B 35 -5.789 29.231 11.154 1.00 0.00 N ATOM 1423 CA ASN B 35 -6.168 29.547 12.534 1.00 0.00 C ATOM 1424 C ASN B 35 -7.382 30.479 12.565 1.00 0.00 C ATOM 1425 O ASN B 35 -8.194 30.430 13.488 1.00 0.00 O ATOM 1426 CB ASN B 35 -4.999 30.181 13.301 1.00 0.00 C ATOM 1427 CG ASN B 35 -4.013 29.160 13.851 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -3.909 28.002 13.207 1.00 0.00 O flip ATOM 1429 ND2 ASN B 35 -3.351 29.413 14.859 1.00 0.00 N flip ATOM 0 H ASN B 35 -4.821 29.448 10.914 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.432 28.610 13.024 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.470 30.867 12.640 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.394 30.774 14.126 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.458 30.313 15.327 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -2.696 28.722 15.226 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.494 31.322 11.543 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.600 32.271 11.428 1.00 0.00 C ATOM 1438 C ASP B 36 -9.955 31.564 11.326 1.00 0.00 C ATOM 1439 O ASP B 36 -10.999 32.177 11.552 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.395 33.178 10.213 1.00 0.00 C ATOM 1441 CG ASP B 36 -7.080 33.932 10.271 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -6.675 34.333 11.382 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -6.456 34.121 9.205 1.00 0.00 O ATOM 0 H ASP B 36 -6.825 31.368 10.774 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.607 32.873 12.337 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.426 32.577 9.304 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.217 33.891 10.152 1.00 0.00 H new ATOM 1448 N ASN B 37 -9.937 30.280 10.976 1.00 0.00 N ATOM 1449 CA ASN B 37 -11.176 29.515 10.838 1.00 0.00 C ATOM 1450 C ASN B 37 -11.388 28.550 12.006 1.00 0.00 C ATOM 1451 O ASN B 37 -12.518 28.143 12.275 1.00 0.00 O ATOM 1452 CB ASN B 37 -11.200 28.755 9.511 1.00 0.00 C ATOM 1453 CG ASN B 37 -10.154 27.663 9.442 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -10.140 26.746 10.264 1.00 0.00 O ATOM 1455 ND2 ASN B 37 -9.270 27.755 8.456 1.00 0.00 N ATOM 0 H ASN B 37 -9.087 29.750 10.784 1.00 0.00 H new ATOM 0 HA ASN B 37 -11.997 30.232 10.850 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -12.187 28.316 9.367 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -11.041 29.457 8.692 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.541 27.048 8.357 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -9.320 28.532 7.798 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.314 28.196 12.707 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.449 27.296 13.843 1.00 0.00 C ATOM 1464 C GLY B 38 -9.471 26.131 13.830 1.00 0.00 C ATOM 1465 O GLY B 38 -9.651 25.165 14.572 1.00 0.00 O ATOM 0 H GLY B 38 -9.363 28.511 12.513 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.309 27.865 14.762 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.466 26.903 13.863 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.433 26.213 13.002 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.439 25.145 12.930 1.00 0.00 C ATOM 1471 C VAL B 39 -6.312 25.386 13.929 1.00 0.00 C ATOM 1472 O VAL B 39 -5.908 26.527 14.159 1.00 0.00 O ATOM 1473 CB VAL B 39 -6.841 25.015 11.516 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -5.930 23.798 11.430 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -7.947 24.936 10.475 1.00 0.00 C ATOM 0 H VAL B 39 -8.259 27.000 12.377 1.00 0.00 H new ATOM 0 HA VAL B 39 -7.954 24.217 13.176 1.00 0.00 H new ATOM 0 HB VAL B 39 -6.243 25.903 11.311 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.517 23.723 10.424 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -5.117 23.900 12.149 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.503 22.898 11.655 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.506 24.845 9.482 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.574 24.067 10.675 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.555 25.840 10.520 1.00 0.00 H new ATOM 1485 N ASP B 40 -5.807 24.309 14.523 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.728 24.415 15.498 1.00 0.00 C ATOM 1487 C ASP B 40 -3.927 23.117 15.576 1.00 0.00 C ATOM 1488 O ASP B 40 -4.191 22.167 14.840 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.295 24.760 16.877 1.00 0.00 C ATOM 1490 CG ASP B 40 -5.654 26.228 17.004 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -4.756 27.076 16.820 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -6.834 26.528 17.285 1.00 0.00 O ATOM 0 H ASP B 40 -6.127 23.356 14.347 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.058 25.212 15.174 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.182 24.154 17.064 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.564 24.500 17.643 1.00 0.00 H new ATOM 1497 N GLY B 41 -2.946 23.089 16.472 1.00 0.00 N ATOM 1498 CA GLY B 41 -2.117 21.909 16.633 1.00 0.00 C ATOM 1499 C GLY B 41 -0.659 22.183 16.314 1.00 0.00 C ATOM 1500 O GLY B 41 -0.154 23.271 16.587 1.00 0.00 O ATOM 0 H GLY B 41 -2.710 23.865 17.091 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -2.201 21.546 17.657 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.486 21.116 15.982 1.00 0.00 H new ATOM 1504 N GLU B 42 0.019 21.196 15.738 1.00 0.00 N ATOM 1505 CA GLU B 42 1.427 21.344 15.385 1.00 0.00 C ATOM 1506 C GLU B 42 1.772 20.513 14.153 1.00 0.00 C ATOM 1507 O GLU B 42 1.094 19.534 13.841 1.00 0.00 O ATOM 1508 CB GLU B 42 2.315 20.929 16.560 1.00 0.00 C ATOM 1509 CG GLU B 42 2.199 21.850 17.763 1.00 0.00 C ATOM 1510 CD GLU B 42 3.467 21.886 18.594 1.00 0.00 C ATOM 1511 OE1 GLU B 42 4.563 21.977 18.002 1.00 0.00 O ATOM 1512 OE2 GLU B 42 3.364 21.823 19.837 1.00 0.00 O ATOM 0 H GLU B 42 -0.382 20.287 15.506 1.00 0.00 H new ATOM 0 HA GLU B 42 1.608 22.394 15.154 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.053 19.915 16.862 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.353 20.905 16.230 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.963 22.858 17.423 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.368 21.522 18.388 1.00 0.00 H new ATOM 1519 N TRP B 43 2.831 20.912 13.457 1.00 0.00 N ATOM 1520 CA TRP B 43 3.267 20.207 12.258 1.00 0.00 C ATOM 1521 C TRP B 43 3.912 18.875 12.607 1.00 0.00 C ATOM 1522 O TRP B 43 4.940 18.824 13.283 1.00 0.00 O ATOM 1523 CB TRP B 43 4.243 21.070 11.457 1.00 0.00 C ATOM 1524 CG TRP B 43 3.570 22.177 10.705 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.488 23.487 11.078 1.00 0.00 C ATOM 1526 CD2 TRP B 43 2.881 22.069 9.455 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.790 24.202 10.135 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.407 23.354 9.129 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.618 21.012 8.579 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.686 23.608 7.964 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 1.902 21.266 7.424 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.444 22.555 7.126 1.00 0.00 C ATOM 0 H TRP B 43 3.403 21.720 13.703 1.00 0.00 H new ATOM 0 HA TRP B 43 2.386 20.008 11.648 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.982 21.497 12.135 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.784 20.438 10.753 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.910 23.901 11.982 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.590 25.201 10.177 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.968 20.015 8.801 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.331 24.601 7.731 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.692 20.457 6.740 1.00 0.00 H new ATOM 0 HH2 TRP B 43 0.888 22.721 6.215 1.00 0.00 H new ATOM 1543 N THR B 44 3.300 17.797 12.135 1.00 0.00 N ATOM 1544 CA THR B 44 3.808 16.459 12.385 1.00 0.00 C ATOM 1545 C THR B 44 4.354 15.849 11.102 1.00 0.00 C ATOM 1546 O THR B 44 3.772 16.003 10.028 1.00 0.00 O ATOM 1547 CB THR B 44 2.708 15.568 12.963 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.634 15.442 12.048 1.00 0.00 O ATOM 1549 CG2 THR B 44 2.142 16.086 14.268 1.00 0.00 C ATOM 0 H THR B 44 2.448 17.826 11.575 1.00 0.00 H new ATOM 0 HA THR B 44 4.618 16.530 13.111 1.00 0.00 H new ATOM 0 HB THR B 44 3.183 14.605 13.150 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.821 15.976 11.248 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.367 15.407 14.623 1.00 0.00 H new ATOM 0 HG22 THR B 44 2.938 16.148 15.010 1.00 0.00 H new ATOM 0 HG23 THR B 44 1.714 17.076 14.111 1.00 0.00 H new ATOM 1557 N TYR B 45 5.474 15.155 11.225 1.00 0.00 N ATOM 1558 CA TYR B 45 6.109 14.513 10.081 1.00 0.00 C ATOM 1559 C TYR B 45 5.282 13.327 9.596 1.00 0.00 C ATOM 1560 O TYR B 45 4.696 12.598 10.397 1.00 0.00 O ATOM 1561 CB TYR B 45 7.522 14.053 10.445 1.00 0.00 C ATOM 1562 CG TYR B 45 8.546 15.164 10.410 1.00 0.00 C ATOM 1563 CD1 TYR B 45 9.127 15.560 9.211 1.00 0.00 C ATOM 1564 CD2 TYR B 45 8.933 15.816 11.574 1.00 0.00 C ATOM 1565 CE1 TYR B 45 10.065 16.575 9.174 1.00 0.00 C ATOM 1566 CE2 TYR B 45 9.870 16.833 11.544 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.433 17.208 10.343 1.00 0.00 C ATOM 1568 OH TYR B 45 11.365 18.219 10.310 1.00 0.00 O ATOM 0 H TYR B 45 5.965 15.020 12.109 1.00 0.00 H new ATOM 0 HA TYR B 45 6.171 15.243 9.274 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.507 13.615 11.443 1.00 0.00 H new ATOM 0 HB3 TYR B 45 7.828 13.266 9.756 1.00 0.00 H new ATOM 0 HD1 TYR B 45 8.841 15.067 8.294 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.495 15.524 12.517 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.507 16.871 8.234 1.00 0.00 H new ATOM 0 HE2 TYR B 45 10.159 17.331 12.458 1.00 0.00 H new ATOM 0 HH TYR B 45 11.511 18.559 11.217 1.00 0.00 H new ATOM 1578 N ASP B 46 5.238 13.138 8.280 1.00 0.00 N ATOM 1579 CA ASP B 46 4.482 12.036 7.692 1.00 0.00 C ATOM 1580 C ASP B 46 5.173 10.703 7.957 1.00 0.00 C ATOM 1581 O ASP B 46 6.374 10.658 8.221 1.00 0.00 O ATOM 1582 CB ASP B 46 4.333 12.236 6.181 1.00 0.00 C ATOM 1583 CG ASP B 46 3.226 13.206 5.824 1.00 0.00 C ATOM 1584 OD1 ASP B 46 3.388 14.415 6.084 1.00 0.00 O ATOM 1585 OD2 ASP B 46 2.196 12.755 5.278 1.00 0.00 O ATOM 0 H ASP B 46 5.716 13.732 7.602 1.00 0.00 H new ATOM 0 HA ASP B 46 3.495 12.023 8.155 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.275 12.601 5.773 1.00 0.00 H new ATOM 0 HB3 ASP B 46 4.133 11.274 5.710 1.00 0.00 H new ATOM 1590 N ASP B 47 4.408 9.619 7.883 1.00 0.00 N ATOM 1591 CA ASP B 47 4.952 8.287 8.113 1.00 0.00 C ATOM 1592 C ASP B 47 5.960 7.925 7.026 1.00 0.00 C ATOM 1593 O ASP B 47 5.684 8.078 5.836 1.00 0.00 O ATOM 1594 CB ASP B 47 3.827 7.250 8.151 1.00 0.00 C ATOM 1595 CG ASP B 47 4.286 5.919 8.713 1.00 0.00 C ATOM 1596 OD1 ASP B 47 4.563 5.853 9.930 1.00 0.00 O ATOM 1597 OD2 ASP B 47 4.369 4.944 7.938 1.00 0.00 O ATOM 0 H ASP B 47 3.412 9.637 7.666 1.00 0.00 H new ATOM 0 HA ASP B 47 5.462 8.288 9.076 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.005 7.632 8.756 1.00 0.00 H new ATOM 0 HB3 ASP B 47 3.439 7.101 7.143 1.00 0.00 H new ATOM 1602 N ALA B 48 7.133 7.459 7.443 1.00 0.00 N ATOM 1603 CA ALA B 48 8.190 7.091 6.507 1.00 0.00 C ATOM 1604 C ALA B 48 7.707 6.074 5.477 1.00 0.00 C ATOM 1605 O ALA B 48 6.932 5.172 5.792 1.00 0.00 O ATOM 1606 CB ALA B 48 9.393 6.547 7.263 1.00 0.00 C ATOM 0 H ALA B 48 7.376 7.327 8.425 1.00 0.00 H new ATOM 0 HA ALA B 48 8.482 7.991 5.966 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.176 6.276 6.555 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.769 7.309 7.945 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.097 5.666 7.832 1.00 0.00 H new ATOM 1612 N THR B 49 8.180 6.233 4.244 1.00 0.00 N ATOM 1613 CA THR B 49 7.813 5.340 3.152 1.00 0.00 C ATOM 1614 C THR B 49 9.028 5.034 2.281 1.00 0.00 C ATOM 1615 O THR B 49 9.988 5.804 2.254 1.00 0.00 O ATOM 1616 CB THR B 49 6.704 5.963 2.303 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.745 6.606 3.124 1.00 0.00 O ATOM 1618 CG2 THR B 49 5.971 4.955 1.444 1.00 0.00 C ATOM 0 H THR B 49 8.823 6.978 3.976 1.00 0.00 H new ATOM 0 HA THR B 49 7.446 4.408 3.581 1.00 0.00 H new ATOM 0 HB THR B 49 7.206 6.677 1.650 1.00 0.00 H new ATOM 0 HG1 THR B 49 5.045 6.999 2.562 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.198 5.462 0.867 1.00 0.00 H new ATOM 0 HG22 THR B 49 6.675 4.476 0.764 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.511 4.200 2.081 1.00 0.00 H new ATOM 1626 N LYS B 50 8.990 3.907 1.576 1.00 0.00 N ATOM 1627 CA LYS B 50 10.102 3.515 0.716 1.00 0.00 C ATOM 1628 C LYS B 50 9.627 3.202 -0.700 1.00 0.00 C ATOM 1629 O LYS B 50 8.761 2.352 -0.907 1.00 0.00 O ATOM 1630 CB LYS B 50 10.821 2.301 1.304 1.00 0.00 C ATOM 1631 CG LYS B 50 11.911 2.665 2.299 1.00 0.00 C ATOM 1632 CD LYS B 50 12.666 1.434 2.773 1.00 0.00 C ATOM 1633 CE LYS B 50 11.871 0.659 3.810 1.00 0.00 C ATOM 1634 NZ LYS B 50 12.742 -0.232 4.626 1.00 0.00 N ATOM 0 H LYS B 50 8.207 3.253 1.583 1.00 0.00 H new ATOM 0 HA LYS B 50 10.795 4.355 0.663 1.00 0.00 H new ATOM 0 HB2 LYS B 50 10.090 1.659 1.796 1.00 0.00 H new ATOM 0 HB3 LYS B 50 11.260 1.720 0.493 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.607 3.365 1.837 1.00 0.00 H new ATOM 0 HG3 LYS B 50 11.468 3.174 3.155 1.00 0.00 H new ATOM 0 HD2 LYS B 50 12.883 0.788 1.922 1.00 0.00 H new ATOM 0 HD3 LYS B 50 13.624 1.734 3.197 1.00 0.00 H new ATOM 0 HE2 LYS B 50 11.351 1.358 4.465 1.00 0.00 H new ATOM 0 HE3 LYS B 50 11.108 0.062 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 12.162 -0.743 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 13.219 -0.916 4.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 13.455 0.340 5.123 1.00 0.00 H new ATOM 1648 N THR B 51 10.213 3.895 -1.672 1.00 0.00 N ATOM 1649 CA THR B 51 9.871 3.703 -3.076 1.00 0.00 C ATOM 1650 C THR B 51 10.994 2.953 -3.795 1.00 0.00 C ATOM 1651 O THR B 51 12.170 3.279 -3.631 1.00 0.00 O ATOM 1652 CB THR B 51 9.608 5.061 -3.736 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.418 5.635 -3.223 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.466 4.994 -5.241 1.00 0.00 C ATOM 0 H THR B 51 10.932 4.600 -1.510 1.00 0.00 H new ATOM 0 HA THR B 51 8.964 3.103 -3.147 1.00 0.00 H new ATOM 0 HB THR B 51 10.485 5.666 -3.504 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.574 6.580 -3.014 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.282 5.994 -5.634 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.383 4.597 -5.676 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.631 4.343 -5.499 1.00 0.00 H new ATOM 1662 N PHE B 52 10.627 1.951 -4.590 1.00 0.00 N ATOM 1663 CA PHE B 52 11.610 1.160 -5.329 1.00 0.00 C ATOM 1664 C PHE B 52 12.054 1.871 -6.604 1.00 0.00 C ATOM 1665 O PHE B 52 11.249 2.115 -7.501 1.00 0.00 O ATOM 1666 CB PHE B 52 11.039 -0.217 -5.678 1.00 0.00 C ATOM 1667 CG PHE B 52 12.057 -1.159 -6.258 1.00 0.00 C ATOM 1668 CD1 PHE B 52 12.874 -1.912 -5.431 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.197 -1.288 -7.630 1.00 0.00 C ATOM 1670 CE1 PHE B 52 13.811 -2.778 -5.961 1.00 0.00 C ATOM 1671 CE2 PHE B 52 13.132 -2.152 -8.167 1.00 0.00 C ATOM 1672 CZ PHE B 52 13.940 -2.899 -7.332 1.00 0.00 C ATOM 0 H PHE B 52 9.659 1.667 -4.739 1.00 0.00 H new ATOM 0 HA PHE B 52 12.480 1.036 -4.685 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.613 -0.663 -4.779 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.223 -0.093 -6.390 1.00 0.00 H new ATOM 0 HD1 PHE B 52 12.777 -1.821 -4.359 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.568 -0.706 -8.288 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.442 -3.360 -5.305 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.231 -2.243 -9.239 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.671 -3.576 -7.749 1.00 0.00 H new ATOM 1682 N THR B 53 13.342 2.186 -6.687 1.00 0.00 N ATOM 1683 CA THR B 53 13.889 2.850 -7.864 1.00 0.00 C ATOM 1684 C THR B 53 14.399 1.818 -8.865 1.00 0.00 C ATOM 1685 O THR B 53 15.269 1.009 -8.543 1.00 0.00 O ATOM 1686 CB THR B 53 15.019 3.802 -7.465 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.547 4.795 -6.573 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.650 4.511 -8.645 1.00 0.00 C ATOM 0 H THR B 53 14.025 1.993 -5.955 1.00 0.00 H new ATOM 0 HA THR B 53 13.095 3.431 -8.333 1.00 0.00 H new ATOM 0 HB THR B 53 15.773 3.172 -6.993 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.155 4.366 -5.784 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.443 5.170 -8.292 1.00 0.00 H new ATOM 0 HG22 THR B 53 16.069 3.774 -9.331 1.00 0.00 H new ATOM 0 HG23 THR B 53 14.893 5.100 -9.163 1.00 0.00 H new ATOM 1696 N VAL B 54 13.854 1.846 -10.077 1.00 0.00 N ATOM 1697 CA VAL B 54 14.260 0.904 -11.113 1.00 0.00 C ATOM 1698 C VAL B 54 15.662 1.219 -11.618 1.00 0.00 C ATOM 1699 O VAL B 54 16.137 2.348 -11.499 1.00 0.00 O ATOM 1700 CB VAL B 54 13.289 0.913 -12.310 1.00 0.00 C ATOM 1701 CG1 VAL B 54 13.537 -0.292 -13.205 1.00 0.00 C ATOM 1702 CG2 VAL B 54 11.843 0.940 -11.832 1.00 0.00 C ATOM 0 H VAL B 54 13.133 2.508 -10.365 1.00 0.00 H new ATOM 0 HA VAL B 54 14.246 -0.085 -10.655 1.00 0.00 H new ATOM 0 HB VAL B 54 13.470 1.817 -12.892 1.00 0.00 H new ATOM 0 HG11 VAL B 54 12.843 -0.270 -14.045 1.00 0.00 H new ATOM 0 HG12 VAL B 54 14.560 -0.263 -13.579 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.386 -1.207 -12.633 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.175 0.946 -12.693 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.644 0.057 -11.225 1.00 0.00 H new ATOM 0 HG23 VAL B 54 11.674 1.836 -11.235 1.00 0.00 H new ATOM 1712 N THR B 55 16.322 0.212 -12.179 1.00 0.00 N ATOM 1713 CA THR B 55 17.673 0.383 -12.700 1.00 0.00 C ATOM 1714 C THR B 55 17.918 -0.528 -13.898 1.00 0.00 C ATOM 1715 O THR B 55 17.992 -0.067 -15.037 1.00 0.00 O ATOM 1716 CB THR B 55 18.702 0.101 -11.604 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.491 0.952 -10.490 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.133 0.291 -12.060 1.00 0.00 C ATOM 0 H THR B 55 15.944 -0.730 -12.285 1.00 0.00 H new ATOM 0 HA THR B 55 17.780 1.416 -13.031 1.00 0.00 H new ATOM 0 HB THR B 55 18.560 -0.946 -11.337 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.245 0.871 -9.869 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.810 0.075 -11.234 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.344 -0.385 -12.888 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.277 1.321 -12.387 1.00 0.00 H new ATOM 1726 N GLU B 56 18.045 -1.821 -13.632 1.00 0.00 N ATOM 1727 CA GLU B 56 18.282 -2.799 -14.688 1.00 0.00 C ATOM 1728 C GLU B 56 16.976 -3.449 -15.133 1.00 0.00 C ATOM 1729 O GLU B 56 17.039 -4.491 -15.818 1.00 0.00 O ATOM 1730 CB GLU B 56 19.262 -3.870 -14.208 1.00 0.00 C ATOM 1731 CG GLU B 56 20.713 -3.558 -14.537 1.00 0.00 C ATOM 1732 CD GLU B 56 21.689 -4.324 -13.664 1.00 0.00 C ATOM 1733 OE1 GLU B 56 21.415 -4.468 -12.455 1.00 0.00 O ATOM 1734 OE2 GLU B 56 22.725 -4.778 -14.191 1.00 0.00 O ATOM 1735 OXT GLU B 56 15.901 -2.911 -14.793 1.00 0.00 O ATOM 0 H GLU B 56 17.988 -2.218 -12.694 1.00 0.00 H new ATOM 0 HA GLU B 56 18.714 -2.277 -15.542 1.00 0.00 H new ATOM 0 HB2 GLU B 56 19.160 -3.987 -13.129 1.00 0.00 H new ATOM 0 HB3 GLU B 56 18.993 -4.825 -14.659 1.00 0.00 H new ATOM 0 HG2 GLU B 56 20.903 -3.797 -15.583 1.00 0.00 H new ATOM 0 HG3 GLU B 56 20.887 -2.489 -14.417 1.00 0.00 H new ATOM 1743 N MET C 1 5.371 -0.329 8.305 1.00 0.00 N ATOM 1744 CA MET C 1 6.112 0.374 7.225 1.00 0.00 C ATOM 1745 C MET C 1 5.298 0.422 5.938 1.00 0.00 C ATOM 1746 O MET C 1 4.781 -0.596 5.480 1.00 0.00 O ATOM 1747 CB MET C 1 7.439 -0.352 6.990 1.00 0.00 C ATOM 1748 CG MET C 1 8.585 0.185 7.833 1.00 0.00 C ATOM 1749 SD MET C 1 9.606 1.373 6.941 1.00 0.00 S ATOM 1750 CE MET C 1 8.350 2.450 6.253 1.00 0.00 C ATOM 0 H1 MET C 1 5.976 -0.406 9.148 1.00 0.00 H new ATOM 0 H2 MET C 1 4.512 0.207 8.543 1.00 0.00 H new ATOM 0 H3 MET C 1 5.106 -1.281 7.981 1.00 0.00 H new ATOM 0 HA MET C 1 6.298 1.404 7.530 1.00 0.00 H new ATOM 0 HB2 MET C 1 7.306 -1.412 7.205 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.706 -0.272 5.936 1.00 0.00 H new ATOM 0 HG2 MET C 1 8.182 0.658 8.728 1.00 0.00 H new ATOM 0 HG3 MET C 1 9.207 -0.646 8.165 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.826 3.316 5.793 1.00 0.00 H new ATOM 0 HE2 MET C 1 7.778 1.907 5.500 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.681 2.783 7.047 1.00 0.00 H new ATOM 1762 N GLN C 2 5.194 1.613 5.358 1.00 0.00 N ATOM 1763 CA GLN C 2 4.444 1.799 4.121 1.00 0.00 C ATOM 1764 C GLN C 2 5.351 1.603 2.912 1.00 0.00 C ATOM 1765 O GLN C 2 6.382 2.263 2.785 1.00 0.00 O ATOM 1766 CB GLN C 2 3.819 3.194 4.084 1.00 0.00 C ATOM 1767 CG GLN C 2 2.707 3.336 3.057 1.00 0.00 C ATOM 1768 CD GLN C 2 1.699 4.404 3.433 1.00 0.00 C ATOM 1769 OE1 GLN C 2 0.497 4.146 3.494 1.00 0.00 O ATOM 1770 NE2 GLN C 2 2.186 5.613 3.687 1.00 0.00 N ATOM 0 H GLN C 2 5.620 2.464 5.725 1.00 0.00 H new ATOM 0 HA GLN C 2 3.649 1.054 4.086 1.00 0.00 H new ATOM 0 HB2 GLN C 2 3.423 3.432 5.071 1.00 0.00 H new ATOM 0 HB3 GLN C 2 4.597 3.926 3.868 1.00 0.00 H new ATOM 0 HG2 GLN C 2 3.142 3.577 2.087 1.00 0.00 H new ATOM 0 HG3 GLN C 2 2.194 2.380 2.947 1.00 0.00 H new ATOM 0 HE21 GLN C 2 3.190 5.782 3.624 1.00 0.00 H new ATOM 0 HE22 GLN C 2 1.556 6.373 3.945 1.00 0.00 H new ATOM 1779 N TYR C 3 4.967 0.683 2.032 1.00 0.00 N ATOM 1780 CA TYR C 3 5.758 0.398 0.842 1.00 0.00 C ATOM 1781 C TYR C 3 5.069 0.871 -0.434 1.00 0.00 C ATOM 1782 O TYR C 3 3.884 0.619 -0.655 1.00 0.00 O ATOM 1783 CB TYR C 3 6.069 -1.096 0.752 1.00 0.00 C ATOM 1784 CG TYR C 3 7.231 -1.518 1.624 1.00 0.00 C ATOM 1785 CD1 TYR C 3 8.540 -1.347 1.190 1.00 0.00 C ATOM 1786 CD2 TYR C 3 7.023 -2.079 2.877 1.00 0.00 C ATOM 1787 CE1 TYR C 3 9.608 -1.725 1.979 1.00 0.00 C ATOM 1788 CE2 TYR C 3 8.088 -2.458 3.674 1.00 0.00 C ATOM 1789 CZ TYR C 3 9.378 -2.279 3.219 1.00 0.00 C ATOM 1790 OH TYR C 3 10.440 -2.654 4.009 1.00 0.00 O ATOM 0 H TYR C 3 4.117 0.125 2.121 1.00 0.00 H new ATOM 0 HA TYR C 3 6.691 0.954 0.935 1.00 0.00 H new ATOM 0 HB2 TYR C 3 5.183 -1.663 1.039 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.289 -1.353 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR C 3 8.725 -0.911 0.219 1.00 0.00 H new ATOM 0 HD2 TYR C 3 6.014 -2.222 3.235 1.00 0.00 H new ATOM 0 HE1 TYR C 3 10.619 -1.587 1.626 1.00 0.00 H new ATOM 0 HE2 TYR C 3 7.911 -2.892 4.647 1.00 0.00 H new ATOM 0 HH TYR C 3 10.788 -3.517 3.701 1.00 0.00 H new ATOM 1800 N LYS C 4 5.843 1.563 -1.263 1.00 0.00 N ATOM 1801 CA LYS C 4 5.349 2.091 -2.529 1.00 0.00 C ATOM 1802 C LYS C 4 5.895 1.283 -3.701 1.00 0.00 C ATOM 1803 O LYS C 4 7.105 1.103 -3.834 1.00 0.00 O ATOM 1804 CB LYS C 4 5.743 3.562 -2.682 1.00 0.00 C ATOM 1805 CG LYS C 4 5.193 4.460 -1.587 1.00 0.00 C ATOM 1806 CD LYS C 4 3.923 5.169 -2.033 1.00 0.00 C ATOM 1807 CE LYS C 4 4.234 6.398 -2.871 1.00 0.00 C ATOM 1808 NZ LYS C 4 3.089 7.350 -2.909 1.00 0.00 N ATOM 0 H LYS C 4 6.824 1.773 -1.078 1.00 0.00 H new ATOM 0 HA LYS C 4 4.262 2.012 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS C 4 6.830 3.639 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS C 4 5.391 3.925 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS C 4 4.986 3.865 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS C 4 5.945 5.199 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS C 4 3.305 4.481 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS C 4 3.342 5.462 -1.158 1.00 0.00 H new ATOM 0 HE2 LYS C 4 5.111 6.902 -2.465 1.00 0.00 H new ATOM 0 HE3 LYS C 4 4.484 6.091 -3.886 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 3.342 8.174 -3.491 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 2.259 6.878 -3.320 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 2.866 7.663 -1.943 1.00 0.00 H new ATOM 1822 N VAL C 5 4.994 0.799 -4.551 1.00 0.00 N ATOM 1823 CA VAL C 5 5.386 0.009 -5.714 1.00 0.00 C ATOM 1824 C VAL C 5 4.506 0.336 -6.917 1.00 0.00 C ATOM 1825 O VAL C 5 3.286 0.195 -6.859 1.00 0.00 O ATOM 1826 CB VAL C 5 5.299 -1.500 -5.421 1.00 0.00 C ATOM 1827 CG1 VAL C 5 5.902 -2.303 -6.562 1.00 0.00 C ATOM 1828 CG2 VAL C 5 5.988 -1.829 -4.105 1.00 0.00 C ATOM 0 H VAL C 5 3.988 0.940 -4.456 1.00 0.00 H new ATOM 0 HA VAL C 5 6.420 0.267 -5.942 1.00 0.00 H new ATOM 0 HB VAL C 5 4.248 -1.773 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL C 5 5.831 -3.367 -6.336 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.359 -2.091 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL C 5 6.949 -2.028 -6.687 1.00 0.00 H new ATOM 0 HG21 VAL C 5 5.916 -2.900 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL C 5 7.037 -1.540 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.504 -1.283 -3.295 1.00 0.00 H new ATOM 1838 N ILE C 6 5.133 0.777 -8.003 1.00 0.00 N ATOM 1839 CA ILE C 6 4.403 1.127 -9.216 1.00 0.00 C ATOM 1840 C ILE C 6 4.364 -0.035 -10.205 1.00 0.00 C ATOM 1841 O ILE C 6 5.398 -0.466 -10.713 1.00 0.00 O ATOM 1842 CB ILE C 6 5.036 2.350 -9.912 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.286 3.470 -8.899 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.145 2.839 -11.042 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.129 4.602 -9.446 1.00 0.00 C ATOM 0 H ILE C 6 6.143 0.900 -8.068 1.00 0.00 H new ATOM 0 HA ILE C 6 3.385 1.367 -8.909 1.00 0.00 H new ATOM 0 HB ILE C 6 5.994 2.050 -10.337 1.00 0.00 H new ATOM 0 HG12 ILE C 6 4.328 3.869 -8.567 1.00 0.00 H new ATOM 0 HG13 ILE C 6 5.779 3.052 -8.021 1.00 0.00 H new ATOM 0 HG21 ILE C 6 4.607 3.702 -11.522 1.00 0.00 H new ATOM 0 HG22 ILE C 6 4.016 2.042 -11.775 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.172 3.124 -10.641 1.00 0.00 H new ATOM 0 HD11 ILE C 6 6.266 5.360 -8.674 1.00 0.00 H new ATOM 0 HD12 ILE C 6 7.101 4.216 -9.752 1.00 0.00 H new ATOM 0 HD13 ILE C 6 5.628 5.046 -10.306 1.00 0.00 H new ATOM 1857 N LEU C 7 3.160 -0.522 -10.492 1.00 0.00 N ATOM 1858 CA LEU C 7 2.982 -1.617 -11.441 1.00 0.00 C ATOM 1859 C LEU C 7 2.426 -1.078 -12.755 1.00 0.00 C ATOM 1860 O LEU C 7 1.383 -0.425 -12.773 1.00 0.00 O ATOM 1861 CB LEU C 7 2.047 -2.689 -10.866 1.00 0.00 C ATOM 1862 CG LEU C 7 2.750 -3.859 -10.168 1.00 0.00 C ATOM 1863 CD1 LEU C 7 2.732 -3.669 -8.659 1.00 0.00 C ATOM 1864 CD2 LEU C 7 2.097 -5.184 -10.546 1.00 0.00 C ATOM 0 H LEU C 7 2.293 -0.176 -10.081 1.00 0.00 H new ATOM 0 HA LEU C 7 3.952 -2.078 -11.627 1.00 0.00 H new ATOM 0 HB2 LEU C 7 1.371 -2.215 -10.155 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.433 -3.085 -11.675 1.00 0.00 H new ATOM 0 HG LEU C 7 3.787 -3.881 -10.502 1.00 0.00 H new ATOM 0 HD11 LEU C 7 3.235 -4.509 -8.180 1.00 0.00 H new ATOM 0 HD12 LEU C 7 3.247 -2.743 -8.403 1.00 0.00 H new ATOM 0 HD13 LEU C 7 1.700 -3.618 -8.311 1.00 0.00 H new ATOM 0 HD21 LEU C 7 2.611 -6.001 -10.040 1.00 0.00 H new ATOM 0 HD22 LEU C 7 1.050 -5.173 -10.244 1.00 0.00 H new ATOM 0 HD23 LEU C 7 2.162 -5.327 -11.625 1.00 0.00 H new ATOM 2079 N ASP C 22 1.044 -6.071 -14.426 1.00 0.00 N ATOM 2080 CA ASP C 22 -0.373 -5.720 -14.395 1.00 0.00 C ATOM 2081 C ASP C 22 -0.859 -5.419 -12.984 1.00 0.00 C ATOM 2082 O ASP C 22 -0.522 -6.115 -12.030 1.00 0.00 O ATOM 2083 CB ASP C 22 -1.194 -6.864 -14.985 1.00 0.00 C ATOM 2084 CG ASP C 22 -2.647 -6.486 -15.202 1.00 0.00 C ATOM 2085 OD1 ASP C 22 -3.440 -6.599 -14.243 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -2.991 -6.077 -16.331 1.00 0.00 O ATOM 0 HA ASP C 22 -0.503 -4.815 -14.988 1.00 0.00 H new ATOM 0 HB2 ASP C 22 -0.756 -7.169 -15.935 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -1.142 -7.725 -14.319 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.665 -4.374 -12.870 1.00 0.00 N ATOM 2092 CA ALA C 23 -2.225 -3.963 -11.591 1.00 0.00 C ATOM 2093 C ALA C 23 -2.799 -5.157 -10.828 1.00 0.00 C ATOM 2094 O ALA C 23 -2.618 -5.279 -9.617 1.00 0.00 O ATOM 2095 CB ALA C 23 -3.292 -2.907 -11.827 1.00 0.00 C ATOM 0 H ALA C 23 -1.948 -3.790 -13.657 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.430 -3.540 -10.977 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -3.714 -2.596 -10.871 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -2.847 -2.045 -12.325 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -4.081 -3.321 -12.455 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.488 -6.038 -11.550 1.00 0.00 N ATOM 2102 CA ALA C 24 -4.085 -7.230 -10.953 1.00 0.00 C ATOM 2103 C ALA C 24 -3.013 -8.208 -10.481 1.00 0.00 C ATOM 2104 O ALA C 24 -3.233 -8.984 -9.550 1.00 0.00 O ATOM 2105 CB ALA C 24 -5.016 -7.907 -11.948 1.00 0.00 C ATOM 0 H ALA C 24 -3.647 -5.948 -12.553 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.662 -6.918 -10.082 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.454 -8.794 -11.491 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.809 -7.216 -12.233 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.452 -8.197 -12.835 1.00 0.00 H new ATOM 2111 N THR C 25 -1.853 -8.168 -11.131 1.00 0.00 N ATOM 2112 CA THR C 25 -0.745 -9.051 -10.782 1.00 0.00 C ATOM 2113 C THR C 25 -0.298 -8.801 -9.345 1.00 0.00 C ATOM 2114 O THR C 25 0.021 -9.736 -8.611 1.00 0.00 O ATOM 2115 CB THR C 25 0.420 -8.832 -11.757 1.00 0.00 C ATOM 2116 OG1 THR C 25 0.072 -9.264 -13.062 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.691 -9.551 -11.368 1.00 0.00 C ATOM 0 H THR C 25 -1.656 -7.532 -11.904 1.00 0.00 H new ATOM 0 HA THR C 25 -1.077 -10.086 -10.859 1.00 0.00 H new ATOM 0 HB THR C 25 0.610 -7.759 -11.725 1.00 0.00 H new ATOM 0 HG1 THR C 25 0.827 -9.114 -13.668 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.466 -9.346 -12.107 1.00 0.00 H new ATOM 0 HG22 THR C 25 2.021 -9.203 -10.389 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.504 -10.624 -11.327 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.305 -7.535 -8.947 1.00 0.00 N ATOM 2126 CA PHE C 26 0.072 -7.162 -7.590 1.00 0.00 C ATOM 2127 C PHE C 26 -0.979 -7.636 -6.588 1.00 0.00 C ATOM 2128 O PHE C 26 -0.655 -8.250 -5.572 1.00 0.00 O ATOM 2129 CB PHE C 26 0.259 -5.650 -7.466 1.00 0.00 C ATOM 2130 CG PHE C 26 0.948 -5.246 -6.192 1.00 0.00 C ATOM 2131 CD1 PHE C 26 2.254 -5.639 -5.943 1.00 0.00 C ATOM 2132 CD2 PHE C 26 0.290 -4.482 -5.241 1.00 0.00 C ATOM 2133 CE1 PHE C 26 2.890 -5.278 -4.771 1.00 0.00 C ATOM 2134 CE2 PHE C 26 0.921 -4.117 -4.067 1.00 0.00 C ATOM 2135 CZ PHE C 26 2.223 -4.516 -3.831 1.00 0.00 C ATOM 0 H PHE C 26 -0.567 -6.750 -9.544 1.00 0.00 H new ATOM 0 HA PHE C 26 1.021 -7.649 -7.366 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.839 -5.290 -8.316 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -0.715 -5.164 -7.516 1.00 0.00 H new ATOM 0 HD1 PHE C 26 2.781 -6.235 -6.674 1.00 0.00 H new ATOM 0 HD2 PHE C 26 -0.728 -4.168 -5.420 1.00 0.00 H new ATOM 0 HE1 PHE C 26 3.908 -5.591 -4.590 1.00 0.00 H new ATOM 0 HE2 PHE C 26 0.397 -3.521 -3.335 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.718 -4.233 -2.914 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.240 -7.330 -6.881 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.351 -7.702 -6.009 1.00 0.00 C ATOM 2147 C GLU C 27 -3.351 -9.195 -5.690 1.00 0.00 C ATOM 2148 O GLU C 27 -3.431 -9.590 -4.526 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.682 -7.312 -6.656 1.00 0.00 C ATOM 2150 CG GLU C 27 -4.728 -5.869 -7.134 1.00 0.00 C ATOM 2151 CD GLU C 27 -6.142 -5.330 -7.230 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -7.027 -6.068 -7.711 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -6.364 -4.170 -6.823 1.00 0.00 O ATOM 0 H GLU C 27 -2.519 -6.822 -7.721 1.00 0.00 H new ATOM 0 HA GLU C 27 -3.225 -7.160 -5.071 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -4.872 -7.972 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -5.486 -7.474 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -4.151 -5.246 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -4.249 -5.799 -8.111 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.292 -10.022 -6.727 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.318 -11.472 -6.554 1.00 0.00 C ATOM 2162 C LYS C 28 -2.073 -11.987 -5.832 1.00 0.00 C ATOM 2163 O LYS C 28 -2.178 -12.759 -4.880 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.448 -12.159 -7.914 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.617 -13.667 -7.822 1.00 0.00 C ATOM 2166 CD LYS C 28 -3.578 -14.316 -9.197 1.00 0.00 C ATOM 2167 CE LYS C 28 -4.959 -14.365 -9.830 1.00 0.00 C ATOM 2168 NZ LYS C 28 -4.944 -15.068 -11.142 1.00 0.00 N ATOM 0 H LYS C 28 -3.226 -9.715 -7.697 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.182 -11.711 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.302 -11.738 -8.444 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.563 -11.937 -8.510 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -2.827 -14.086 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -4.564 -13.899 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -2.900 -13.760 -9.844 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -3.180 -15.327 -9.112 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -5.650 -14.871 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -5.332 -13.350 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -5.905 -15.080 -11.541 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -4.304 -14.571 -11.795 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -4.612 -16.045 -11.009 1.00 0.00 H new ATOM 2182 N VAL C 29 -0.896 -11.566 -6.286 1.00 0.00 N ATOM 2183 CA VAL C 29 0.357 -12.000 -5.674 1.00 0.00 C ATOM 2184 C VAL C 29 0.468 -11.554 -4.217 1.00 0.00 C ATOM 2185 O VAL C 29 0.937 -12.307 -3.366 1.00 0.00 O ATOM 2186 CB VAL C 29 1.576 -11.469 -6.457 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.876 -11.921 -5.804 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.514 -11.924 -7.907 1.00 0.00 C ATOM 0 H VAL C 29 -0.783 -10.927 -7.073 1.00 0.00 H new ATOM 0 HA VAL C 29 0.352 -13.090 -5.706 1.00 0.00 H new ATOM 0 HB VAL C 29 1.550 -10.379 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.722 -11.535 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.922 -11.542 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.916 -13.010 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.381 -11.541 -8.446 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.514 -13.013 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.603 -11.544 -8.369 1.00 0.00 H new ATOM 2198 N VAL C 30 0.049 -10.323 -3.940 1.00 0.00 N ATOM 2199 CA VAL C 30 0.122 -9.784 -2.587 1.00 0.00 C ATOM 2200 C VAL C 30 -0.878 -10.456 -1.653 1.00 0.00 C ATOM 2201 O VAL C 30 -0.528 -10.831 -0.534 1.00 0.00 O ATOM 2202 CB VAL C 30 -0.095 -8.257 -2.567 1.00 0.00 C ATOM 2203 CG1 VAL C 30 -0.005 -7.713 -1.148 1.00 0.00 C ATOM 2204 CG2 VAL C 30 0.919 -7.567 -3.467 1.00 0.00 C ATOM 0 H VAL C 30 -0.343 -9.683 -4.631 1.00 0.00 H new ATOM 0 HA VAL C 30 1.129 -9.997 -2.228 1.00 0.00 H new ATOM 0 HB VAL C 30 -1.096 -8.050 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -0.161 -6.634 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.769 -8.183 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL C 30 0.980 -7.932 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL C 30 0.753 -6.490 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.927 -7.787 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.804 -7.929 -4.489 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.117 -10.621 -2.105 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.138 -11.261 -1.288 1.00 0.00 C ATOM 2216 C LYS C 31 -2.760 -12.710 -1.005 1.00 0.00 C ATOM 2217 O LYS C 31 -2.852 -13.179 0.129 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.493 -11.204 -1.999 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.644 -11.754 -1.173 1.00 0.00 C ATOM 2220 CD LYS C 31 -6.940 -11.766 -1.969 1.00 0.00 C ATOM 2221 CE LYS C 31 -8.071 -12.413 -1.187 1.00 0.00 C ATOM 2222 NZ LYS C 31 -9.112 -12.986 -2.085 1.00 0.00 N ATOM 0 H LYS C 31 -2.436 -10.322 -3.027 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.211 -10.726 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.710 -10.169 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.427 -11.765 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.407 -12.766 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.772 -11.149 -0.275 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -7.216 -10.745 -2.231 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -6.788 -12.305 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -7.668 -13.200 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -8.527 -11.673 -0.529 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -9.865 -13.418 -1.512 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.515 -12.231 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -8.683 -13.710 -2.696 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.325 -13.410 -2.045 1.00 0.00 N ATOM 2237 CA GLN C 32 -1.925 -14.803 -1.914 1.00 0.00 C ATOM 2238 C GLN C 32 -0.723 -14.946 -0.986 1.00 0.00 C ATOM 2239 O GLN C 32 -0.714 -15.799 -0.099 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.597 -15.394 -3.287 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.414 -16.903 -3.273 1.00 0.00 C ATOM 2242 CD GLN C 32 -1.380 -17.500 -4.665 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -0.398 -18.129 -5.061 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -2.457 -17.305 -5.419 1.00 0.00 N ATOM 0 H GLN C 32 -2.241 -13.034 -2.989 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.761 -15.351 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.397 -15.140 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.686 -14.930 -3.665 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -0.487 -17.148 -2.754 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -2.226 -17.358 -2.706 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -3.249 -16.778 -5.051 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -2.492 -17.683 -6.366 1.00 0.00 H new ATOM 2253 N PHE C 33 0.290 -14.104 -1.187 1.00 0.00 N ATOM 2254 CA PHE C 33 1.492 -14.130 -0.363 1.00 0.00 C ATOM 2255 C PHE C 33 1.222 -13.700 1.079 1.00 0.00 C ATOM 2256 O PHE C 33 1.676 -14.353 2.019 1.00 0.00 O ATOM 2257 CB PHE C 33 2.575 -13.271 -1.038 1.00 0.00 C ATOM 2258 CG PHE C 33 3.656 -12.750 -0.131 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.452 -13.603 0.617 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.891 -11.387 -0.062 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.457 -13.100 1.426 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.891 -10.880 0.743 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.675 -11.735 1.488 1.00 0.00 C ATOM 0 H PHE C 33 0.299 -13.393 -1.918 1.00 0.00 H new ATOM 0 HA PHE C 33 1.848 -15.158 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE C 33 3.042 -13.862 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE C 33 2.091 -12.422 -1.520 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.287 -14.669 0.569 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.284 -10.712 -0.646 1.00 0.00 H new ATOM 0 HE1 PHE C 33 6.070 -13.772 2.008 1.00 0.00 H new ATOM 0 HE2 PHE C 33 5.059 -9.814 0.789 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.458 -11.340 2.119 1.00 0.00 H new ATOM 2273 N PHE C 34 0.488 -12.606 1.257 1.00 0.00 N ATOM 2274 CA PHE C 34 0.178 -12.116 2.597 1.00 0.00 C ATOM 2275 C PHE C 34 -0.882 -12.960 3.309 1.00 0.00 C ATOM 2276 O PHE C 34 -0.824 -13.126 4.526 1.00 0.00 O ATOM 2277 CB PHE C 34 -0.193 -10.634 2.560 1.00 0.00 C ATOM 2278 CG PHE C 34 1.031 -9.766 2.523 1.00 0.00 C ATOM 2279 CD1 PHE C 34 1.713 -9.545 1.337 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.525 -9.208 3.691 1.00 0.00 C ATOM 2281 CE1 PHE C 34 2.868 -8.784 1.320 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.673 -8.440 3.678 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.347 -8.230 2.492 1.00 0.00 C ATOM 0 H PHE C 34 0.100 -12.046 0.498 1.00 0.00 H new ATOM 0 HA PHE C 34 1.084 -12.220 3.194 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.810 -10.433 1.684 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.792 -10.385 3.436 1.00 0.00 H new ATOM 0 HD1 PHE C 34 1.339 -9.971 0.418 1.00 0.00 H new ATOM 0 HD2 PHE C 34 1.006 -9.376 4.623 1.00 0.00 H new ATOM 0 HE1 PHE C 34 3.395 -8.623 0.391 1.00 0.00 H new ATOM 0 HE2 PHE C 34 3.043 -8.004 4.595 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.247 -7.634 2.480 1.00 0.00 H new ATOM 2293 N ASN C 35 -1.834 -13.514 2.561 1.00 0.00 N ATOM 2294 CA ASN C 35 -2.864 -14.360 3.169 1.00 0.00 C ATOM 2295 C ASN C 35 -2.230 -15.509 3.955 1.00 0.00 C ATOM 2296 O ASN C 35 -2.780 -15.974 4.953 1.00 0.00 O ATOM 2297 CB ASN C 35 -3.825 -14.915 2.107 1.00 0.00 C ATOM 2298 CG ASN C 35 -4.922 -13.936 1.715 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -4.658 -12.639 1.839 1.00 0.00 O flip ATOM 2300 ND2 ASN C 35 -6.009 -14.348 1.306 1.00 0.00 N flip ATOM 0 H ASN C 35 -1.916 -13.397 1.551 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.436 -13.738 3.858 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.255 -15.186 1.218 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.282 -15.830 2.484 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -6.176 -15.351 1.224 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -6.742 -13.686 1.050 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.066 -15.957 3.493 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.335 -17.047 4.138 1.00 0.00 C ATOM 2309 C ASP C 36 0.077 -16.696 5.570 1.00 0.00 C ATOM 2310 O ASP C 36 0.396 -17.580 6.364 1.00 0.00 O ATOM 2311 CB ASP C 36 0.903 -17.412 3.315 1.00 0.00 C ATOM 2312 CG ASP C 36 0.555 -17.812 1.895 1.00 0.00 C ATOM 2313 OD1 ASP C 36 -0.486 -18.473 1.702 1.00 0.00 O ATOM 2314 OD2 ASP C 36 1.325 -17.465 0.975 1.00 0.00 O ATOM 0 H ASP C 36 -0.604 -15.578 2.666 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.007 -17.903 4.188 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.585 -16.562 3.293 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.431 -18.232 3.802 1.00 0.00 H new ATOM 2319 N ASN C 37 0.077 -15.405 5.894 1.00 0.00 N ATOM 2320 CA ASN C 37 0.465 -14.960 7.232 1.00 0.00 C ATOM 2321 C ASN C 37 -0.742 -14.529 8.066 1.00 0.00 C ATOM 2322 O ASN C 37 -0.675 -14.524 9.297 1.00 0.00 O ATOM 2323 CB ASN C 37 1.487 -13.824 7.151 1.00 0.00 C ATOM 2324 CG ASN C 37 0.908 -12.557 6.561 1.00 0.00 C ATOM 2325 OD1 ASN C 37 -0.058 -11.999 7.083 1.00 0.00 O ATOM 2326 ND2 ASN C 37 1.499 -12.092 5.468 1.00 0.00 N ATOM 0 H ASN C 37 -0.185 -14.654 5.255 1.00 0.00 H new ATOM 0 HA ASN C 37 0.923 -15.813 7.732 1.00 0.00 H new ATOM 0 HB2 ASN C 37 1.869 -13.613 8.150 1.00 0.00 H new ATOM 0 HB3 ASN C 37 2.335 -14.146 6.547 1.00 0.00 H new ATOM 0 HD21 ASN C 37 1.156 -11.239 5.026 1.00 0.00 H new ATOM 0 HD22 ASN C 37 2.297 -12.587 5.070 1.00 0.00 H new ATOM 2333 N GLY C 38 -1.847 -14.186 7.408 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.037 -13.784 8.142 1.00 0.00 C ATOM 2335 C GLY C 38 -3.660 -12.486 7.652 1.00 0.00 C ATOM 2336 O GLY C 38 -4.495 -11.903 8.342 1.00 0.00 O ATOM 0 H GLY C 38 -1.941 -14.179 6.392 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -3.779 -14.579 8.073 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -2.782 -13.677 9.196 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.269 -12.030 6.465 1.00 0.00 N ATOM 2341 CA VAL C 39 -3.820 -10.796 5.912 1.00 0.00 C ATOM 2342 C VAL C 39 -5.069 -11.083 5.085 1.00 0.00 C ATOM 2343 O VAL C 39 -5.147 -12.101 4.398 1.00 0.00 O ATOM 2344 CB VAL C 39 -2.793 -10.056 5.034 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.336 -8.700 4.602 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.474 -9.897 5.775 1.00 0.00 C ATOM 0 H VAL C 39 -2.579 -12.491 5.872 1.00 0.00 H new ATOM 0 HA VAL C 39 -4.079 -10.159 6.757 1.00 0.00 H new ATOM 0 HB VAL C 39 -2.612 -10.651 4.139 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.596 -8.192 3.983 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.253 -8.841 4.030 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.548 -8.095 5.484 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -0.761 -9.372 5.140 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.636 -9.324 6.688 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.079 -10.880 6.029 1.00 0.00 H new ATOM 2356 N ASP C 40 -6.045 -10.184 5.156 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.289 -10.351 4.412 1.00 0.00 C ATOM 2358 C ASP C 40 -7.959 -9.005 4.150 1.00 0.00 C ATOM 2359 O ASP C 40 -7.430 -7.954 4.512 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.243 -11.269 5.180 1.00 0.00 C ATOM 2361 CG ASP C 40 -7.878 -12.734 5.036 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -7.837 -13.226 3.889 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -7.631 -13.388 6.072 1.00 0.00 O ATOM 0 H ASP C 40 -5.999 -9.335 5.719 1.00 0.00 H new ATOM 0 HA ASP C 40 -7.049 -10.805 3.451 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.233 -10.997 6.236 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.260 -11.114 4.820 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.129 -9.048 3.519 1.00 0.00 N ATOM 2369 CA GLY C 41 -9.856 -7.829 3.213 1.00 0.00 C ATOM 2370 C GLY C 41 -10.030 -7.621 1.721 1.00 0.00 C ATOM 2371 O GLY C 41 -10.196 -8.583 0.971 1.00 0.00 O ATOM 0 H GLY C 41 -9.587 -9.907 3.214 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -10.836 -7.864 3.689 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.326 -6.976 3.637 1.00 0.00 H new ATOM 2375 N GLU C 42 -9.992 -6.365 1.288 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.147 -6.042 -0.126 1.00 0.00 C ATOM 2377 C GLU C 42 -9.361 -4.787 -0.490 1.00 0.00 C ATOM 2378 O GLU C 42 -9.070 -3.954 0.368 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.625 -5.849 -0.467 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.445 -7.124 -0.356 1.00 0.00 C ATOM 2381 CD GLU C 42 -13.643 -7.129 -1.286 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -13.479 -6.757 -2.467 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -14.744 -7.506 -0.834 1.00 0.00 O ATOM 0 H GLU C 42 -9.856 -5.556 1.894 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.752 -6.875 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -12.048 -5.096 0.198 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.708 -5.461 -1.482 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -11.810 -7.981 -0.582 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -12.787 -7.243 0.672 1.00 0.00 H new ATOM 2390 N TRP C 43 -9.020 -4.660 -1.768 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.267 -3.507 -2.247 1.00 0.00 C ATOM 2392 C TRP C 43 -9.135 -2.259 -2.283 1.00 0.00 C ATOM 2393 O TRP C 43 -10.126 -2.196 -3.010 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.689 -3.787 -3.636 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.502 -4.700 -3.606 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.492 -6.038 -3.874 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.152 -4.345 -3.286 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.220 -6.537 -3.742 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.378 -5.517 -3.382 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.522 -3.148 -2.930 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -3.008 -5.526 -3.133 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -3.163 -3.160 -2.683 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.418 -4.341 -2.787 1.00 0.00 C ATOM 0 H TRP C 43 -9.253 -5.341 -2.490 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.447 -3.330 -1.551 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.464 -4.229 -4.263 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.402 -2.844 -4.101 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.359 -6.620 -4.150 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -4.946 -7.509 -3.888 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -5.088 -2.231 -2.850 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.432 -6.436 -3.210 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.666 -2.242 -2.405 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.356 -4.316 -2.590 1.00 0.00 H new ATOM 2414 N THR C 44 -8.746 -1.265 -1.495 1.00 0.00 N ATOM 2415 CA THR C 44 -9.477 -0.011 -1.433 1.00 0.00 C ATOM 2416 C THR C 44 -8.663 1.110 -2.066 1.00 0.00 C ATOM 2417 O THR C 44 -7.450 1.194 -1.883 1.00 0.00 O ATOM 2418 CB THR C 44 -9.816 0.340 0.016 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.636 0.509 0.781 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.661 -0.710 0.704 1.00 0.00 C ATOM 0 H THR C 44 -7.926 -1.305 -0.890 1.00 0.00 H new ATOM 0 HA THR C 44 -10.406 -0.128 -1.991 1.00 0.00 H new ATOM 0 HB THR C 44 -10.388 1.266 -0.038 1.00 0.00 H new ATOM 0 HG1 THR C 44 -7.853 0.370 0.209 1.00 0.00 H new ATOM 0 HG21 THR C 44 -10.865 -0.399 1.728 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.602 -0.829 0.167 1.00 0.00 H new ATOM 0 HG23 THR C 44 -10.125 -1.659 0.713 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.346 1.969 -2.806 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.697 3.093 -3.471 1.00 0.00 C ATOM 2430 C TYR C 45 -8.247 4.137 -2.455 1.00 0.00 C ATOM 2431 O TYR C 45 -8.933 4.389 -1.463 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.646 3.727 -4.488 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.718 2.975 -5.798 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.752 3.158 -6.780 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.751 2.083 -6.054 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.813 2.473 -7.979 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.820 1.394 -7.250 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.849 1.592 -8.209 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.913 0.908 -9.400 1.00 0.00 O ATOM 0 H TYR C 45 -10.352 1.911 -2.963 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.817 2.718 -3.993 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.645 3.783 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.325 4.750 -4.683 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.940 3.847 -6.603 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.514 1.925 -5.306 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -8.054 2.627 -8.732 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.630 0.704 -7.433 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.703 0.328 -9.402 1.00 0.00 H new ATOM 2449 N ASP C 46 -7.092 4.745 -2.707 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.554 5.764 -1.812 1.00 0.00 C ATOM 2451 C ASP C 46 -7.364 7.053 -1.911 1.00 0.00 C ATOM 2452 O ASP C 46 -8.046 7.293 -2.907 1.00 0.00 O ATOM 2453 CB ASP C 46 -5.092 6.060 -2.153 1.00 0.00 C ATOM 2454 CG ASP C 46 -4.135 5.033 -1.580 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -4.135 3.885 -2.067 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -3.383 5.382 -0.646 1.00 0.00 O ATOM 0 H ASP C 46 -6.511 4.550 -3.522 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.617 5.380 -0.794 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -4.976 6.093 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -4.828 7.047 -1.774 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.282 7.880 -0.874 1.00 0.00 N ATOM 2462 CA ASP C 47 -8.007 9.145 -0.852 1.00 0.00 C ATOM 2463 C ASP C 47 -7.478 10.084 -1.931 1.00 0.00 C ATOM 2464 O ASP C 47 -6.271 10.284 -2.057 1.00 0.00 O ATOM 2465 CB ASP C 47 -7.884 9.804 0.523 1.00 0.00 C ATOM 2466 CG ASP C 47 -8.875 10.937 0.712 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -10.088 10.654 0.810 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -8.438 12.105 0.760 1.00 0.00 O ATOM 0 H ASP C 47 -6.723 7.698 -0.041 1.00 0.00 H new ATOM 0 HA ASP C 47 -9.059 8.941 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -8.042 9.054 1.298 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -6.871 10.186 0.651 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.391 10.648 -2.719 1.00 0.00 N ATOM 2474 CA ALA C 48 -8.018 11.555 -3.800 1.00 0.00 C ATOM 2475 C ALA C 48 -7.159 12.712 -3.299 1.00 0.00 C ATOM 2476 O ALA C 48 -7.379 13.240 -2.208 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.265 12.082 -4.494 1.00 0.00 C ATOM 0 H ALA C 48 -9.395 10.492 -2.628 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.420 10.991 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.975 12.758 -5.299 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.832 11.248 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -9.883 12.619 -3.774 1.00 0.00 H new ATOM 2483 N THR C 49 -6.181 13.100 -4.112 1.00 0.00 N ATOM 2484 CA THR C 49 -5.278 14.195 -3.773 1.00 0.00 C ATOM 2485 C THR C 49 -5.005 15.060 -5.000 1.00 0.00 C ATOM 2486 O THR C 49 -5.141 14.600 -6.134 1.00 0.00 O ATOM 2487 CB THR C 49 -3.963 13.649 -3.216 1.00 0.00 C ATOM 2488 OG1 THR C 49 -4.202 12.556 -2.346 1.00 0.00 O ATOM 2489 CG2 THR C 49 -3.164 14.680 -2.447 1.00 0.00 C ATOM 0 H THR C 49 -5.993 12.669 -5.017 1.00 0.00 H new ATOM 0 HA THR C 49 -5.755 14.809 -3.009 1.00 0.00 H new ATOM 0 HB THR C 49 -3.386 13.342 -4.088 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.349 12.220 -2.001 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.243 14.227 -2.079 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.920 15.515 -3.104 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.752 15.041 -1.604 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.625 16.314 -4.774 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.345 17.231 -5.875 1.00 0.00 C ATOM 2499 C LYS C 50 -2.973 17.881 -5.725 1.00 0.00 C ATOM 2500 O LYS C 50 -2.677 18.513 -4.711 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.426 18.309 -5.954 1.00 0.00 C ATOM 2502 CG LYS C 50 -6.626 17.905 -6.796 1.00 0.00 C ATOM 2503 CD LYS C 50 -7.624 19.043 -6.928 1.00 0.00 C ATOM 2504 CE LYS C 50 -8.459 19.201 -5.669 1.00 0.00 C ATOM 2505 NZ LYS C 50 -9.720 19.949 -5.928 1.00 0.00 N ATOM 0 H LYS C 50 -4.504 16.717 -3.845 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.345 16.651 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -5.764 18.548 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -4.991 19.219 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -6.290 17.598 -7.786 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -7.115 17.042 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -7.092 19.972 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -8.279 18.857 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -8.697 18.217 -5.266 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -7.876 19.724 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -10.261 20.035 -5.044 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -9.493 20.898 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -10.288 19.438 -6.633 1.00 0.00 H new ATOM 2519 N THR C 51 -2.143 17.721 -6.751 1.00 0.00 N ATOM 2520 CA THR C 51 -0.800 18.290 -6.758 1.00 0.00 C ATOM 2521 C THR C 51 -0.736 19.484 -7.710 1.00 0.00 C ATOM 2522 O THR C 51 -1.231 19.416 -8.836 1.00 0.00 O ATOM 2523 CB THR C 51 0.215 17.213 -7.161 1.00 0.00 C ATOM 2524 OG1 THR C 51 0.322 16.231 -6.145 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.607 17.751 -7.419 1.00 0.00 C ATOM 0 H THR C 51 -2.380 17.198 -7.594 1.00 0.00 H new ATOM 0 HA THR C 51 -0.553 18.644 -5.757 1.00 0.00 H new ATOM 0 HB THR C 51 -0.168 16.794 -8.092 1.00 0.00 H new ATOM 0 HG1 THR C 51 0.413 15.345 -6.554 1.00 0.00 H new ATOM 0 HG21 THR C 51 2.268 16.931 -7.699 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.571 18.480 -8.228 1.00 0.00 H new ATOM 0 HG23 THR C 51 1.985 18.230 -6.516 1.00 0.00 H new ATOM 2533 N PHE C 52 -0.128 20.578 -7.255 1.00 0.00 N ATOM 2534 CA PHE C 52 -0.006 21.783 -8.073 1.00 0.00 C ATOM 2535 C PHE C 52 1.152 21.675 -9.060 1.00 0.00 C ATOM 2536 O PHE C 52 2.311 21.563 -8.659 1.00 0.00 O ATOM 2537 CB PHE C 52 0.184 23.016 -7.187 1.00 0.00 C ATOM 2538 CG PHE C 52 0.115 24.313 -7.943 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -1.107 24.916 -8.200 1.00 0.00 C ATOM 2540 CD2 PHE C 52 1.270 24.929 -8.399 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -1.175 26.109 -8.896 1.00 0.00 C ATOM 2542 CE2 PHE C 52 1.208 26.121 -9.095 1.00 0.00 C ATOM 2543 CZ PHE C 52 -0.015 26.712 -9.345 1.00 0.00 C ATOM 0 H PHE C 52 0.287 20.655 -6.326 1.00 0.00 H new ATOM 0 HA PHE C 52 -0.930 21.886 -8.641 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.580 23.016 -6.410 1.00 0.00 H new ATOM 0 HB3 PHE C 52 1.149 22.948 -6.685 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -2.016 24.448 -7.852 1.00 0.00 H new ATOM 0 HD2 PHE C 52 2.230 24.472 -8.208 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -2.133 26.569 -9.088 1.00 0.00 H new ATOM 0 HE2 PHE C 52 2.116 26.591 -9.444 1.00 0.00 H new ATOM 0 HZ PHE C 52 -0.065 27.643 -9.890 1.00 0.00 H new ATOM 2553 N THR C 53 0.837 21.724 -10.349 1.00 0.00 N ATOM 2554 CA THR C 53 1.859 21.649 -11.385 1.00 0.00 C ATOM 2555 C THR C 53 2.327 23.049 -11.768 1.00 0.00 C ATOM 2556 O THR C 53 1.529 23.885 -12.192 1.00 0.00 O ATOM 2557 CB THR C 53 1.321 20.918 -12.618 1.00 0.00 C ATOM 2558 OG1 THR C 53 0.925 19.600 -12.286 1.00 0.00 O ATOM 2559 CG2 THR C 53 2.326 20.825 -13.746 1.00 0.00 C ATOM 0 H THR C 53 -0.116 21.815 -10.701 1.00 0.00 H new ATOM 0 HA THR C 53 2.708 21.089 -10.992 1.00 0.00 H new ATOM 0 HB THR C 53 0.473 21.512 -12.958 1.00 0.00 H new ATOM 0 HG1 THR C 53 0.277 19.628 -11.551 1.00 0.00 H new ATOM 0 HG21 THR C 53 1.880 20.296 -14.588 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.615 21.828 -14.060 1.00 0.00 H new ATOM 0 HG23 THR C 53 3.208 20.284 -13.404 1.00 0.00 H new ATOM 2567 N VAL C 54 3.623 23.305 -11.613 1.00 0.00 N ATOM 2568 CA VAL C 54 4.183 24.610 -11.943 1.00 0.00 C ATOM 2569 C VAL C 54 4.205 24.831 -13.449 1.00 0.00 C ATOM 2570 O VAL C 54 4.198 23.878 -14.227 1.00 0.00 O ATOM 2571 CB VAL C 54 5.614 24.776 -11.395 1.00 0.00 C ATOM 2572 CG1 VAL C 54 6.041 26.235 -11.455 1.00 0.00 C ATOM 2573 CG2 VAL C 54 5.714 24.243 -9.973 1.00 0.00 C ATOM 0 H VAL C 54 4.302 22.629 -11.263 1.00 0.00 H new ATOM 0 HA VAL C 54 3.538 25.352 -11.472 1.00 0.00 H new ATOM 0 HB VAL C 54 6.290 24.194 -12.021 1.00 0.00 H new ATOM 0 HG11 VAL C 54 7.054 26.334 -11.064 1.00 0.00 H new ATOM 0 HG12 VAL C 54 6.016 26.579 -12.489 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.360 26.838 -10.855 1.00 0.00 H new ATOM 0 HG21 VAL C 54 6.733 24.371 -9.607 1.00 0.00 H new ATOM 0 HG22 VAL C 54 5.026 24.792 -9.330 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.455 23.184 -9.962 1.00 0.00 H new ATOM 2583 N THR C 55 4.231 26.095 -13.855 1.00 0.00 N ATOM 2584 CA THR C 55 4.252 26.440 -15.271 1.00 0.00 C ATOM 2585 C THR C 55 5.025 27.733 -15.509 1.00 0.00 C ATOM 2586 O THR C 55 6.135 27.716 -16.041 1.00 0.00 O ATOM 2587 CB THR C 55 2.825 26.573 -15.806 1.00 0.00 C ATOM 2588 OG1 THR C 55 2.102 25.371 -15.602 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.765 26.897 -17.283 1.00 0.00 C ATOM 0 H THR C 55 4.238 26.897 -13.225 1.00 0.00 H new ATOM 0 HA THR C 55 4.759 25.637 -15.807 1.00 0.00 H new ATOM 0 HB THR C 55 2.385 27.402 -15.251 1.00 0.00 H new ATOM 0 HG1 THR C 55 1.251 25.415 -16.086 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.724 26.977 -17.596 1.00 0.00 H new ATOM 0 HG22 THR C 55 3.274 27.843 -17.469 1.00 0.00 H new ATOM 0 HG23 THR C 55 3.254 26.105 -17.849 1.00 0.00 H new ATOM 2597 N GLU C 56 4.430 28.850 -15.115 1.00 0.00 N ATOM 2598 CA GLU C 56 5.061 30.154 -15.285 1.00 0.00 C ATOM 2599 C GLU C 56 5.778 30.584 -14.010 1.00 0.00 C ATOM 2600 O GLU C 56 6.111 31.783 -13.893 1.00 0.00 O ATOM 2601 CB GLU C 56 4.018 31.202 -15.676 1.00 0.00 C ATOM 2602 CG GLU C 56 3.862 31.372 -17.179 1.00 0.00 C ATOM 2603 CD GLU C 56 2.540 32.012 -17.560 1.00 0.00 C ATOM 2604 OE1 GLU C 56 1.515 31.673 -16.933 1.00 0.00 O ATOM 2605 OE2 GLU C 56 2.532 32.849 -18.486 1.00 0.00 O ATOM 2606 OXT GLU C 56 6.002 29.719 -13.137 1.00 0.00 O ATOM 0 H GLU C 56 3.510 28.881 -14.675 1.00 0.00 H new ATOM 0 HA GLU C 56 5.799 30.070 -16.083 1.00 0.00 H new ATOM 0 HB2 GLU C 56 3.055 30.922 -15.248 1.00 0.00 H new ATOM 0 HB3 GLU C 56 4.295 32.160 -15.237 1.00 0.00 H new ATOM 0 HG2 GLU C 56 4.680 31.984 -17.559 1.00 0.00 H new ATOM 0 HG3 GLU C 56 3.942 30.398 -17.661 1.00 0.00 H new ATOM 2614 N MET D 1 0.564 1.980 -12.267 1.00 0.00 N ATOM 2615 CA MET D 1 -0.308 2.077 -11.068 1.00 0.00 C ATOM 2616 C MET D 1 0.510 2.005 -9.784 1.00 0.00 C ATOM 2617 O MET D 1 1.339 1.112 -9.613 1.00 0.00 O ATOM 2618 CB MET D 1 -1.329 0.938 -11.114 1.00 0.00 C ATOM 2619 CG MET D 1 -2.624 1.310 -11.819 1.00 0.00 C ATOM 2620 SD MET D 1 -3.922 1.810 -10.671 1.00 0.00 S ATOM 2621 CE MET D 1 -3.034 2.975 -9.641 1.00 0.00 C ATOM 0 H1 MET D 1 -0.014 2.083 -13.126 1.00 0.00 H new ATOM 0 H2 MET D 1 1.279 2.735 -12.238 1.00 0.00 H new ATOM 0 H3 MET D 1 1.038 1.054 -12.278 1.00 0.00 H new ATOM 0 HA MET D 1 -0.820 3.039 -11.074 1.00 0.00 H new ATOM 0 HB2 MET D 1 -0.883 0.081 -11.619 1.00 0.00 H new ATOM 0 HB3 MET D 1 -1.557 0.624 -10.095 1.00 0.00 H new ATOM 0 HG2 MET D 1 -2.431 2.123 -12.519 1.00 0.00 H new ATOM 0 HG3 MET D 1 -2.971 0.459 -12.405 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.734 3.477 -8.973 1.00 0.00 H new ATOM 0 HE2 MET D 1 -2.287 2.443 -9.051 1.00 0.00 H new ATOM 0 HE3 MET D 1 -2.539 3.714 -10.271 1.00 0.00 H new ATOM 2633 N GLN D 2 0.264 2.950 -8.882 1.00 0.00 N ATOM 2634 CA GLN D 2 0.973 2.996 -7.609 1.00 0.00 C ATOM 2635 C GLN D 2 0.230 2.190 -6.553 1.00 0.00 C ATOM 2636 O GLN D 2 -0.948 2.431 -6.289 1.00 0.00 O ATOM 2637 CB GLN D 2 1.136 4.445 -7.145 1.00 0.00 C ATOM 2638 CG GLN D 2 2.196 4.624 -6.071 1.00 0.00 C ATOM 2639 CD GLN D 2 2.801 6.015 -6.075 1.00 0.00 C ATOM 2640 OE1 GLN D 2 4.019 6.175 -6.149 1.00 0.00 O ATOM 2641 NE2 GLN D 2 1.949 7.031 -5.997 1.00 0.00 N ATOM 0 H GLN D 2 -0.421 3.694 -9.010 1.00 0.00 H new ATOM 0 HA GLN D 2 1.961 2.557 -7.750 1.00 0.00 H new ATOM 0 HB2 GLN D 2 1.392 5.066 -8.003 1.00 0.00 H new ATOM 0 HB3 GLN D 2 0.180 4.806 -6.764 1.00 0.00 H new ATOM 0 HG2 GLN D 2 1.755 4.426 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN D 2 2.986 3.888 -6.219 1.00 0.00 H new ATOM 0 HE21 GLN D 2 0.947 6.852 -5.937 1.00 0.00 H new ATOM 0 HE22 GLN D 2 2.297 7.990 -5.997 1.00 0.00 H new ATOM 2650 N TYR D 3 0.921 1.224 -5.955 1.00 0.00 N ATOM 2651 CA TYR D 3 0.316 0.379 -4.935 1.00 0.00 C ATOM 2652 C TYR D 3 0.884 0.655 -3.546 1.00 0.00 C ATOM 2653 O TYR D 3 2.097 0.732 -3.352 1.00 0.00 O ATOM 2654 CB TYR D 3 0.489 -1.099 -5.292 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.524 -1.591 -6.301 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -1.799 -1.967 -5.898 1.00 0.00 C ATOM 2657 CD2 TYR D 3 -0.210 -1.678 -7.652 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -2.733 -2.415 -6.812 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -1.140 -2.124 -8.572 1.00 0.00 C ATOM 2660 CZ TYR D 3 -2.399 -2.492 -8.147 1.00 0.00 C ATOM 2661 OH TYR D 3 -3.329 -2.936 -9.059 1.00 0.00 O ATOM 0 H TYR D 3 1.897 1.009 -6.159 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.747 0.620 -4.907 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.492 -1.255 -5.688 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.408 -1.697 -4.384 1.00 0.00 H new ATOM 0 HD1 TYR D 3 -2.065 -1.908 -4.853 1.00 0.00 H new ATOM 0 HD2 TYR D 3 0.776 -1.393 -7.988 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -3.720 -2.703 -6.482 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -0.882 -2.184 -9.619 1.00 0.00 H new ATOM 0 HH TYR D 3 -4.220 -2.925 -8.650 1.00 0.00 H new ATOM 2671 N LYS D 4 -0.028 0.802 -2.590 1.00 0.00 N ATOM 2672 CA LYS D 4 0.337 1.071 -1.205 1.00 0.00 C ATOM 2673 C LYS D 4 0.126 -0.167 -0.340 1.00 0.00 C ATOM 2674 O LYS D 4 -0.960 -0.746 -0.322 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.487 2.237 -0.653 1.00 0.00 C ATOM 2676 CG LYS D 4 -0.303 3.534 -1.424 1.00 0.00 C ATOM 2677 CD LYS D 4 0.700 4.450 -0.743 1.00 0.00 C ATOM 2678 CE LYS D 4 0.063 5.217 0.406 1.00 0.00 C ATOM 2679 NZ LYS D 4 0.851 6.428 0.771 1.00 0.00 N ATOM 0 H LYS D 4 -1.033 0.739 -2.752 1.00 0.00 H new ATOM 0 HA LYS D 4 1.393 1.338 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -1.542 1.963 -0.666 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -0.214 2.402 0.389 1.00 0.00 H new ATOM 0 HG2 LYS D 4 0.035 3.312 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS D 4 -1.262 4.045 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS D 4 1.537 3.861 -0.369 1.00 0.00 H new ATOM 0 HD3 LYS D 4 1.105 5.153 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS D 4 -0.949 5.512 0.128 1.00 0.00 H new ATOM 0 HE3 LYS D 4 -0.023 4.564 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 0.383 6.922 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 1.809 6.145 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 0.911 7.063 -0.050 1.00 0.00 H new ATOM 2693 N VAL D 5 1.171 -0.569 0.376 1.00 0.00 N ATOM 2694 CA VAL D 5 1.100 -1.741 1.244 1.00 0.00 C ATOM 2695 C VAL D 5 1.890 -1.517 2.529 1.00 0.00 C ATOM 2696 O VAL D 5 3.091 -1.248 2.490 1.00 0.00 O ATOM 2697 CB VAL D 5 1.641 -2.996 0.533 1.00 0.00 C ATOM 2698 CG1 VAL D 5 1.372 -4.240 1.367 1.00 0.00 C ATOM 2699 CG2 VAL D 5 1.027 -3.132 -0.852 1.00 0.00 C ATOM 0 H VAL D 5 2.077 -0.101 0.373 1.00 0.00 H new ATOM 0 HA VAL D 5 0.049 -1.895 1.488 1.00 0.00 H new ATOM 0 HB VAL D 5 2.720 -2.889 0.418 1.00 0.00 H new ATOM 0 HG11 VAL D 5 1.761 -5.117 0.849 1.00 0.00 H new ATOM 0 HG12 VAL D 5 1.864 -4.143 2.335 1.00 0.00 H new ATOM 0 HG13 VAL D 5 0.298 -4.353 1.515 1.00 0.00 H new ATOM 0 HG21 VAL D 5 1.421 -4.024 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL D 5 -0.056 -3.216 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL D 5 1.275 -2.254 -1.448 1.00 0.00 H new ATOM 2709 N ILE D 6 1.210 -1.622 3.666 1.00 0.00 N ATOM 2710 CA ILE D 6 1.851 -1.425 4.961 1.00 0.00 C ATOM 2711 C ILE D 6 2.297 -2.750 5.576 1.00 0.00 C ATOM 2712 O ILE D 6 1.473 -3.609 5.891 1.00 0.00 O ATOM 2713 CB ILE D 6 0.903 -0.714 5.948 1.00 0.00 C ATOM 2714 CG1 ILE D 6 0.270 0.513 5.289 1.00 0.00 C ATOM 2715 CG2 ILE D 6 1.651 -0.318 7.211 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -0.854 1.122 6.100 1.00 0.00 C ATOM 0 H ILE D 6 0.215 -1.842 3.717 1.00 0.00 H new ATOM 0 HA ILE D 6 2.728 -0.802 4.783 1.00 0.00 H new ATOM 0 HB ILE D 6 0.107 -1.405 6.224 1.00 0.00 H new ATOM 0 HG12 ILE D 6 1.041 1.267 5.127 1.00 0.00 H new ATOM 0 HG13 ILE D 6 -0.112 0.232 4.307 1.00 0.00 H new ATOM 0 HG21 ILE D 6 0.968 0.183 7.897 1.00 0.00 H new ATOM 0 HG22 ILE D 6 2.056 -1.210 7.689 1.00 0.00 H new ATOM 0 HG23 ILE D 6 2.467 0.358 6.954 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -1.256 1.987 5.573 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -1.643 0.383 6.240 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -0.473 1.434 7.072 1.00 0.00 H new ATOM 2728 N LEU D 7 3.605 -2.898 5.766 1.00 0.00 N ATOM 2729 CA LEU D 7 4.159 -4.107 6.368 1.00 0.00 C ATOM 2730 C LEU D 7 4.584 -3.822 7.805 1.00 0.00 C ATOM 2731 O LEU D 7 5.371 -2.910 8.057 1.00 0.00 O ATOM 2732 CB LEU D 7 5.354 -4.620 5.554 1.00 0.00 C ATOM 2733 CG LEU D 7 5.020 -5.699 4.516 1.00 0.00 C ATOM 2734 CD1 LEU D 7 4.908 -5.088 3.129 1.00 0.00 C ATOM 2735 CD2 LEU D 7 6.070 -6.805 4.530 1.00 0.00 C ATOM 0 H LEU D 7 4.301 -2.197 5.512 1.00 0.00 H new ATOM 0 HA LEU D 7 3.390 -4.879 6.369 1.00 0.00 H new ATOM 0 HB2 LEU D 7 5.814 -3.775 5.042 1.00 0.00 H new ATOM 0 HB3 LEU D 7 6.099 -5.019 6.243 1.00 0.00 H new ATOM 0 HG LEU D 7 4.058 -6.139 4.778 1.00 0.00 H new ATOM 0 HD11 LEU D 7 4.671 -5.868 2.406 1.00 0.00 H new ATOM 0 HD12 LEU D 7 4.118 -4.337 3.125 1.00 0.00 H new ATOM 0 HD13 LEU D 7 5.855 -4.620 2.860 1.00 0.00 H new ATOM 0 HD21 LEU D 7 5.814 -7.560 3.786 1.00 0.00 H new ATOM 0 HD22 LEU D 7 7.047 -6.382 4.296 1.00 0.00 H new ATOM 0 HD23 LEU D 7 6.101 -7.265 5.518 1.00 0.00 H new ATOM 2950 N ASP D 22 7.527 -8.391 8.031 1.00 0.00 N ATOM 2951 CA ASP D 22 8.760 -7.625 8.176 1.00 0.00 C ATOM 2952 C ASP D 22 9.063 -6.795 6.936 1.00 0.00 C ATOM 2953 O ASP D 22 8.916 -7.256 5.806 1.00 0.00 O ATOM 2954 CB ASP D 22 9.920 -8.578 8.455 1.00 0.00 C ATOM 2955 CG ASP D 22 11.193 -7.849 8.834 1.00 0.00 C ATOM 2956 OD1 ASP D 22 11.938 -7.437 7.919 1.00 0.00 O ATOM 2957 OD2 ASP D 22 11.448 -7.689 10.047 1.00 0.00 O ATOM 0 HA ASP D 22 8.631 -6.936 9.010 1.00 0.00 H new ATOM 0 HB2 ASP D 22 9.641 -9.258 9.260 1.00 0.00 H new ATOM 0 HB3 ASP D 22 10.105 -9.189 7.571 1.00 0.00 H new ATOM 2962 N ALA D 23 9.498 -5.564 7.166 1.00 0.00 N ATOM 2963 CA ALA D 23 9.840 -4.650 6.086 1.00 0.00 C ATOM 2964 C ALA D 23 10.722 -5.335 5.039 1.00 0.00 C ATOM 2965 O ALA D 23 10.529 -5.154 3.837 1.00 0.00 O ATOM 2966 CB ALA D 23 10.537 -3.430 6.665 1.00 0.00 C ATOM 0 H ALA D 23 9.623 -5.173 8.100 1.00 0.00 H new ATOM 0 HA ALA D 23 8.924 -4.338 5.583 1.00 0.00 H new ATOM 0 HB1 ALA D 23 10.795 -2.742 5.860 1.00 0.00 H new ATOM 0 HB2 ALA D 23 9.871 -2.931 7.369 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.445 -3.741 7.182 1.00 0.00 H new ATOM 2972 N ALA D 24 11.684 -6.124 5.508 1.00 0.00 N ATOM 2973 CA ALA D 24 12.594 -6.846 4.622 1.00 0.00 C ATOM 2974 C ALA D 24 11.859 -7.931 3.839 1.00 0.00 C ATOM 2975 O ALA D 24 12.266 -8.297 2.736 1.00 0.00 O ATOM 2976 CB ALA D 24 13.736 -7.454 5.423 1.00 0.00 C ATOM 0 H ALA D 24 11.855 -6.281 6.501 1.00 0.00 H new ATOM 0 HA ALA D 24 13.003 -6.134 3.905 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.407 -7.989 4.751 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.287 -6.662 5.931 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.334 -8.147 6.162 1.00 0.00 H new ATOM 2982 N THR D 25 10.777 -8.442 4.417 1.00 0.00 N ATOM 2983 CA THR D 25 9.985 -9.487 3.778 1.00 0.00 C ATOM 2984 C THR D 25 9.415 -8.988 2.454 1.00 0.00 C ATOM 2985 O THR D 25 9.368 -9.723 1.469 1.00 0.00 O ATOM 2986 CB THR D 25 8.855 -9.931 4.719 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.381 -10.588 5.860 1.00 0.00 O ATOM 2988 CG2 THR D 25 7.855 -10.868 4.080 1.00 0.00 C ATOM 0 H THR D 25 10.428 -8.149 5.329 1.00 0.00 H new ATOM 0 HA THR D 25 10.627 -10.343 3.571 1.00 0.00 H new ATOM 0 HB THR D 25 8.338 -9.009 4.986 1.00 0.00 H new ATOM 0 HG1 THR D 25 8.646 -10.862 6.448 1.00 0.00 H new ATOM 0 HG21 THR D 25 7.090 -11.135 4.809 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.388 -10.375 3.227 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.366 -11.770 3.743 1.00 0.00 H new ATOM 2996 N PHE D 26 9.009 -7.725 2.436 1.00 0.00 N ATOM 2997 CA PHE D 26 8.471 -7.114 1.227 1.00 0.00 C ATOM 2998 C PHE D 26 9.569 -6.928 0.182 1.00 0.00 C ATOM 2999 O PHE D 26 9.404 -7.291 -0.982 1.00 0.00 O ATOM 3000 CB PHE D 26 7.815 -5.768 1.532 1.00 0.00 C ATOM 3001 CG PHE D 26 6.977 -5.252 0.397 1.00 0.00 C ATOM 3002 CD1 PHE D 26 5.847 -5.942 -0.014 1.00 0.00 C ATOM 3003 CD2 PHE D 26 7.322 -4.085 -0.266 1.00 0.00 C ATOM 3004 CE1 PHE D 26 5.076 -5.477 -1.062 1.00 0.00 C ATOM 3005 CE2 PHE D 26 6.555 -3.614 -1.315 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.431 -4.310 -1.714 1.00 0.00 C ATOM 0 H PHE D 26 9.042 -7.104 3.244 1.00 0.00 H new ATOM 0 HA PHE D 26 7.711 -7.787 0.829 1.00 0.00 H new ATOM 0 HB2 PHE D 26 7.192 -5.867 2.421 1.00 0.00 H new ATOM 0 HB3 PHE D 26 8.589 -5.037 1.766 1.00 0.00 H new ATOM 0 HD1 PHE D 26 5.566 -6.854 0.491 1.00 0.00 H new ATOM 0 HD2 PHE D 26 8.201 -3.537 0.041 1.00 0.00 H new ATOM 0 HE1 PHE D 26 4.198 -6.024 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE D 26 6.835 -2.702 -1.822 1.00 0.00 H new ATOM 0 HZ PHE D 26 4.830 -3.944 -2.533 1.00 0.00 H new ATOM 3016 N GLU D 27 10.685 -6.343 0.610 1.00 0.00 N ATOM 3017 CA GLU D 27 11.814 -6.084 -0.279 1.00 0.00 C ATOM 3018 C GLU D 27 12.265 -7.344 -1.014 1.00 0.00 C ATOM 3019 O GLU D 27 12.407 -7.342 -2.236 1.00 0.00 O ATOM 3020 CB GLU D 27 12.987 -5.502 0.515 1.00 0.00 C ATOM 3021 CG GLU D 27 12.605 -4.312 1.381 1.00 0.00 C ATOM 3022 CD GLU D 27 13.786 -3.412 1.690 1.00 0.00 C ATOM 3023 OE1 GLU D 27 14.881 -3.945 1.970 1.00 0.00 O ATOM 3024 OE2 GLU D 27 13.617 -2.175 1.651 1.00 0.00 O ATOM 0 H GLU D 27 10.832 -6.038 1.572 1.00 0.00 H new ATOM 0 HA GLU D 27 11.481 -5.364 -1.026 1.00 0.00 H new ATOM 0 HB2 GLU D 27 13.408 -6.282 1.149 1.00 0.00 H new ATOM 0 HB3 GLU D 27 13.770 -5.199 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU D 27 11.834 -3.732 0.875 1.00 0.00 H new ATOM 0 HG3 GLU D 27 12.172 -4.671 2.315 1.00 0.00 H new ATOM 3031 N LYS D 28 12.515 -8.410 -0.262 1.00 0.00 N ATOM 3032 CA LYS D 28 12.982 -9.665 -0.844 1.00 0.00 C ATOM 3033 C LYS D 28 11.928 -10.313 -1.740 1.00 0.00 C ATOM 3034 O LYS D 28 12.225 -10.707 -2.868 1.00 0.00 O ATOM 3035 CB LYS D 28 13.386 -10.638 0.266 1.00 0.00 C ATOM 3036 CG LYS D 28 14.013 -11.924 -0.248 1.00 0.00 C ATOM 3037 CD LYS D 28 14.244 -12.919 0.878 1.00 0.00 C ATOM 3038 CE LYS D 28 15.602 -12.719 1.531 1.00 0.00 C ATOM 3039 NZ LYS D 28 15.869 -13.738 2.583 1.00 0.00 N ATOM 0 H LYS D 28 12.402 -8.431 0.752 1.00 0.00 H new ATOM 0 HA LYS D 28 13.846 -9.433 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS D 28 14.091 -10.142 0.933 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.505 -10.885 0.859 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.365 -12.370 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS D 28 14.961 -11.698 -0.736 1.00 0.00 H new ATOM 0 HD2 LYS D 28 13.460 -12.810 1.627 1.00 0.00 H new ATOM 0 HD3 LYS D 28 14.173 -13.934 0.488 1.00 0.00 H new ATOM 0 HE2 LYS D 28 16.381 -12.770 0.771 1.00 0.00 H new ATOM 0 HE3 LYS D 28 15.650 -11.723 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 16.805 -13.566 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 15.140 -13.673 3.322 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 15.849 -14.688 2.160 1.00 0.00 H new ATOM 3053 N VAL D 29 10.701 -10.429 -1.240 1.00 0.00 N ATOM 3054 CA VAL D 29 9.619 -11.037 -2.008 1.00 0.00 C ATOM 3055 C VAL D 29 9.306 -10.249 -3.279 1.00 0.00 C ATOM 3056 O VAL D 29 9.055 -10.834 -4.333 1.00 0.00 O ATOM 3057 CB VAL D 29 8.334 -11.161 -1.165 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.211 -11.790 -1.979 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.603 -11.970 0.096 1.00 0.00 C ATOM 0 H VAL D 29 10.432 -10.111 -0.309 1.00 0.00 H new ATOM 0 HA VAL D 29 9.966 -12.031 -2.289 1.00 0.00 H new ATOM 0 HB VAL D 29 8.018 -10.160 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.315 -11.867 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL D 29 7.001 -11.169 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.513 -12.785 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.686 -12.049 0.680 1.00 0.00 H new ATOM 0 HG22 VAL D 29 8.945 -12.968 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.370 -11.474 0.690 1.00 0.00 H new ATOM 3069 N VAL D 30 9.306 -8.925 -3.173 1.00 0.00 N ATOM 3070 CA VAL D 30 9.005 -8.071 -4.317 1.00 0.00 C ATOM 3071 C VAL D 30 10.120 -8.101 -5.355 1.00 0.00 C ATOM 3072 O VAL D 30 9.853 -8.229 -6.550 1.00 0.00 O ATOM 3073 CB VAL D 30 8.735 -6.614 -3.886 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.414 -5.742 -5.093 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.599 -6.564 -2.876 1.00 0.00 C ATOM 0 H VAL D 30 9.510 -8.421 -2.310 1.00 0.00 H new ATOM 0 HA VAL D 30 8.099 -8.473 -4.771 1.00 0.00 H new ATOM 0 HB VAL D 30 9.638 -6.223 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL D 30 8.227 -4.720 -4.764 1.00 0.00 H new ATOM 0 HG12 VAL D 30 9.257 -5.753 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.528 -6.129 -5.596 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.420 -5.530 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.695 -6.975 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL D 30 7.867 -7.151 -1.997 1.00 0.00 H new ATOM 3085 N LYS D 31 11.368 -7.991 -4.911 1.00 0.00 N ATOM 3086 CA LYS D 31 12.498 -8.019 -5.829 1.00 0.00 C ATOM 3087 C LYS D 31 12.579 -9.367 -6.533 1.00 0.00 C ATOM 3088 O LYS D 31 12.759 -9.439 -7.748 1.00 0.00 O ATOM 3089 CB LYS D 31 13.800 -7.749 -5.069 1.00 0.00 C ATOM 3090 CG LYS D 31 15.027 -7.659 -5.962 1.00 0.00 C ATOM 3091 CD LYS D 31 16.297 -7.490 -5.142 1.00 0.00 C ATOM 3092 CE LYS D 31 17.536 -7.491 -6.023 1.00 0.00 C ATOM 3093 NZ LYS D 31 18.743 -7.949 -5.282 1.00 0.00 N ATOM 0 H LYS D 31 11.620 -7.882 -3.929 1.00 0.00 H new ATOM 0 HA LYS D 31 12.354 -7.241 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.698 -6.817 -4.513 1.00 0.00 H new ATOM 0 HB3 LYS D 31 13.953 -8.542 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS D 31 15.102 -8.559 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS D 31 14.920 -6.818 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS D 31 16.248 -6.556 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS D 31 16.369 -8.295 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS D 31 17.370 -8.140 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS D 31 17.707 -6.487 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 19.566 -7.935 -5.917 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 18.917 -7.315 -4.476 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 18.590 -8.917 -4.934 1.00 0.00 H new ATOM 3107 N GLN D 32 12.435 -10.435 -5.759 1.00 0.00 N ATOM 3108 CA GLN D 32 12.482 -11.786 -6.302 1.00 0.00 C ATOM 3109 C GLN D 32 11.343 -12.024 -7.288 1.00 0.00 C ATOM 3110 O GLN D 32 11.559 -12.545 -8.381 1.00 0.00 O ATOM 3111 CB GLN D 32 12.420 -12.816 -5.173 1.00 0.00 C ATOM 3112 CG GLN D 32 12.711 -14.236 -5.630 1.00 0.00 C ATOM 3113 CD GLN D 32 12.937 -15.187 -4.471 1.00 0.00 C ATOM 3114 OE1 GLN D 32 12.218 -16.175 -4.313 1.00 0.00 O ATOM 3115 NE2 GLN D 32 13.939 -14.893 -3.651 1.00 0.00 N ATOM 0 H GLN D 32 12.284 -10.391 -4.751 1.00 0.00 H new ATOM 0 HA GLN D 32 13.425 -11.899 -6.836 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.135 -12.538 -4.399 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.430 -12.785 -4.718 1.00 0.00 H new ATOM 0 HG2 GLN D 32 11.879 -14.597 -6.234 1.00 0.00 H new ATOM 0 HG3 GLN D 32 13.593 -14.234 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN D 32 14.509 -14.064 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN D 32 14.138 -15.496 -2.853 1.00 0.00 H new ATOM 3124 N PHE D 33 10.129 -11.634 -6.902 1.00 0.00 N ATOM 3125 CA PHE D 33 8.956 -11.796 -7.753 1.00 0.00 C ATOM 3126 C PHE D 33 9.012 -10.908 -8.998 1.00 0.00 C ATOM 3127 O PHE D 33 8.740 -11.371 -10.105 1.00 0.00 O ATOM 3128 CB PHE D 33 7.693 -11.549 -6.913 1.00 0.00 C ATOM 3129 CG PHE D 33 6.462 -11.155 -7.682 1.00 0.00 C ATOM 3130 CD1 PHE D 33 5.939 -11.961 -8.680 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.811 -9.974 -7.369 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.790 -11.586 -9.358 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.667 -9.595 -8.040 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.155 -10.399 -9.036 1.00 0.00 C ATOM 0 H PHE D 33 9.934 -11.201 -5.999 1.00 0.00 H new ATOM 0 HA PHE D 33 8.933 -12.818 -8.133 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.472 -12.455 -6.349 1.00 0.00 H new ATOM 0 HB3 PHE D 33 7.910 -10.766 -6.186 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.431 -12.889 -8.932 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.205 -9.340 -6.588 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.391 -12.219 -10.137 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.173 -8.669 -7.785 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.260 -10.103 -9.564 1.00 0.00 H new ATOM 3144 N PHE D 34 9.358 -9.638 -8.820 1.00 0.00 N ATOM 3145 CA PHE D 34 9.436 -8.713 -9.947 1.00 0.00 C ATOM 3146 C PHE D 34 10.673 -8.941 -10.820 1.00 0.00 C ATOM 3147 O PHE D 34 10.612 -8.761 -12.035 1.00 0.00 O ATOM 3148 CB PHE D 34 9.328 -7.265 -9.469 1.00 0.00 C ATOM 3149 CG PHE D 34 7.897 -6.871 -9.242 1.00 0.00 C ATOM 3150 CD1 PHE D 34 7.236 -7.223 -8.077 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.199 -6.186 -10.223 1.00 0.00 C ATOM 3152 CE1 PHE D 34 5.904 -6.898 -7.896 1.00 0.00 C ATOM 3153 CE2 PHE D 34 5.871 -5.852 -10.044 1.00 0.00 C ATOM 3154 CZ PHE D 34 5.221 -6.211 -8.881 1.00 0.00 C ATOM 0 H PHE D 34 9.587 -9.227 -7.915 1.00 0.00 H new ATOM 0 HA PHE D 34 8.581 -8.919 -10.590 1.00 0.00 H new ATOM 0 HB2 PHE D 34 9.892 -7.142 -8.545 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.777 -6.601 -10.208 1.00 0.00 H new ATOM 0 HD1 PHE D 34 7.766 -7.757 -7.302 1.00 0.00 H new ATOM 0 HD2 PHE D 34 7.700 -5.910 -11.139 1.00 0.00 H new ATOM 0 HE1 PHE D 34 5.398 -7.181 -6.985 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.342 -5.310 -10.814 1.00 0.00 H new ATOM 0 HZ PHE D 34 4.181 -5.956 -8.741 1.00 0.00 H new ATOM 3164 N ASN D 35 11.783 -9.362 -10.219 1.00 0.00 N ATOM 3165 CA ASN D 35 12.997 -9.632 -10.995 1.00 0.00 C ATOM 3166 C ASN D 35 12.716 -10.645 -12.107 1.00 0.00 C ATOM 3167 O ASN D 35 13.336 -10.607 -13.169 1.00 0.00 O ATOM 3168 CB ASN D 35 14.131 -10.139 -10.094 1.00 0.00 C ATOM 3169 CG ASN D 35 14.886 -9.023 -9.385 1.00 0.00 C ATOM 3170 OD1 ASN D 35 14.224 -7.895 -9.144 1.00 0.00 O flip ATOM 3171 ND2 ASN D 35 16.064 -9.174 -9.061 1.00 0.00 N flip ATOM 0 H ASN D 35 11.871 -9.522 -9.215 1.00 0.00 H new ATOM 0 HA ASN D 35 13.314 -8.693 -11.448 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.717 -10.818 -9.348 1.00 0.00 H new ATOM 0 HB3 ASN D 35 14.833 -10.717 -10.696 1.00 0.00 H new ATOM 0 HD21 ASN D 35 16.540 -10.054 -9.262 1.00 0.00 H new ATOM 0 HD22 ASN D 35 16.564 -8.419 -8.591 1.00 0.00 H new ATOM 3178 N ASP D 36 11.773 -11.546 -11.849 1.00 0.00 N ATOM 3179 CA ASP D 36 11.389 -12.576 -12.813 1.00 0.00 C ATOM 3180 C ASP D 36 10.821 -11.975 -14.101 1.00 0.00 C ATOM 3181 O ASP D 36 10.755 -12.648 -15.131 1.00 0.00 O ATOM 3182 CB ASP D 36 10.365 -13.529 -12.189 1.00 0.00 C ATOM 3183 CG ASP D 36 10.885 -14.186 -10.925 1.00 0.00 C ATOM 3184 OD1 ASP D 36 12.089 -14.510 -10.876 1.00 0.00 O ATOM 3185 OD2 ASP D 36 10.086 -14.378 -9.984 1.00 0.00 O ATOM 0 H ASP D 36 11.255 -11.584 -10.971 1.00 0.00 H new ATOM 0 HA ASP D 36 12.292 -13.128 -13.075 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.452 -12.979 -11.961 1.00 0.00 H new ATOM 0 HB3 ASP D 36 10.100 -14.299 -12.913 1.00 0.00 H new ATOM 3190 N ASN D 37 10.403 -10.712 -14.041 1.00 0.00 N ATOM 3191 CA ASN D 37 9.833 -10.047 -15.212 1.00 0.00 C ATOM 3192 C ASN D 37 10.803 -9.039 -15.830 1.00 0.00 C ATOM 3193 O ASN D 37 10.680 -8.699 -17.006 1.00 0.00 O ATOM 3194 CB ASN D 37 8.512 -9.360 -14.857 1.00 0.00 C ATOM 3195 CG ASN D 37 8.693 -8.203 -13.899 1.00 0.00 C ATOM 3196 OD1 ASN D 37 9.410 -7.246 -14.191 1.00 0.00 O ATOM 3197 ND2 ASN D 37 8.038 -8.282 -12.748 1.00 0.00 N ATOM 0 H ASN D 37 10.447 -10.133 -13.203 1.00 0.00 H new ATOM 0 HA ASN D 37 9.642 -10.820 -15.956 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.038 -8.999 -15.770 1.00 0.00 H new ATOM 0 HB3 ASN D 37 7.835 -10.091 -14.414 1.00 0.00 H new ATOM 0 HD21 ASN D 37 8.118 -7.530 -12.063 1.00 0.00 H new ATOM 0 HD22 ASN D 37 7.455 -9.094 -12.548 1.00 0.00 H new ATOM 3204 N GLY D 38 11.777 -8.575 -15.050 1.00 0.00 N ATOM 3205 CA GLY D 38 12.747 -7.628 -15.580 1.00 0.00 C ATOM 3206 C GLY D 38 12.955 -6.399 -14.710 1.00 0.00 C ATOM 3207 O GLY D 38 13.533 -5.411 -15.163 1.00 0.00 O ATOM 0 H GLY D 38 11.912 -8.833 -14.073 1.00 0.00 H new ATOM 0 HA2 GLY D 38 13.703 -8.136 -15.706 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.423 -7.308 -16.570 1.00 0.00 H new ATOM 3211 N VAL D 39 12.500 -6.450 -13.461 1.00 0.00 N ATOM 3212 CA VAL D 39 12.664 -5.319 -12.551 1.00 0.00 C ATOM 3213 C VAL D 39 13.977 -5.427 -11.784 1.00 0.00 C ATOM 3214 O VAL D 39 14.401 -6.522 -11.415 1.00 0.00 O ATOM 3215 CB VAL D 39 11.499 -5.220 -11.546 1.00 0.00 C ATOM 3216 CG1 VAL D 39 11.612 -3.948 -10.718 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.164 -5.275 -12.272 1.00 0.00 C ATOM 0 H VAL D 39 12.019 -7.254 -13.058 1.00 0.00 H new ATOM 0 HA VAL D 39 12.672 -4.418 -13.165 1.00 0.00 H new ATOM 0 HB VAL D 39 11.555 -6.072 -10.868 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.781 -3.897 -10.015 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.553 -3.954 -10.168 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.583 -3.081 -11.378 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.353 -5.204 -11.548 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.097 -4.444 -12.974 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.084 -6.217 -12.815 1.00 0.00 H new ATOM 3227 N ASP D 40 14.621 -4.287 -11.548 1.00 0.00 N ATOM 3228 CA ASP D 40 15.888 -4.265 -10.826 1.00 0.00 C ATOM 3229 C ASP D 40 16.116 -2.912 -10.157 1.00 0.00 C ATOM 3230 O ASP D 40 15.268 -2.023 -10.224 1.00 0.00 O ATOM 3231 CB ASP D 40 17.043 -4.577 -11.779 1.00 0.00 C ATOM 3232 CG ASP D 40 17.160 -6.059 -12.081 1.00 0.00 C ATOM 3233 OD1 ASP D 40 17.321 -6.848 -11.127 1.00 0.00 O ATOM 3234 OD2 ASP D 40 17.090 -6.429 -13.271 1.00 0.00 O ATOM 0 H ASP D 40 14.287 -3.370 -11.845 1.00 0.00 H new ATOM 0 HA ASP D 40 15.847 -5.028 -10.049 1.00 0.00 H new ATOM 0 HB2 ASP D 40 16.900 -4.029 -12.711 1.00 0.00 H new ATOM 0 HB3 ASP D 40 17.977 -4.223 -11.342 1.00 0.00 H new ATOM 3239 N GLY D 41 17.270 -2.768 -9.511 1.00 0.00 N ATOM 3240 CA GLY D 41 17.592 -1.524 -8.834 1.00 0.00 C ATOM 3241 C GLY D 41 17.763 -1.709 -7.339 1.00 0.00 C ATOM 3242 O GLY D 41 18.257 -2.743 -6.890 1.00 0.00 O ATOM 0 H GLY D 41 17.987 -3.490 -9.444 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.509 -1.112 -9.254 1.00 0.00 H new ATOM 0 HA3 GLY D 41 16.801 -0.797 -9.020 1.00 0.00 H new ATOM 3246 N GLU D 42 17.355 -0.708 -6.566 1.00 0.00 N ATOM 3247 CA GLU D 42 17.469 -0.773 -5.113 1.00 0.00 C ATOM 3248 C GLU D 42 16.348 0.016 -4.443 1.00 0.00 C ATOM 3249 O GLU D 42 15.771 0.925 -5.038 1.00 0.00 O ATOM 3250 CB GLU D 42 18.827 -0.235 -4.662 1.00 0.00 C ATOM 3251 CG GLU D 42 19.998 -1.100 -5.100 1.00 0.00 C ATOM 3252 CD GLU D 42 21.180 -1.003 -4.156 1.00 0.00 C ATOM 3253 OE1 GLU D 42 20.963 -1.051 -2.926 1.00 0.00 O ATOM 3254 OE2 GLU D 42 22.322 -0.878 -4.646 1.00 0.00 O ATOM 0 H GLU D 42 16.944 0.156 -6.920 1.00 0.00 H new ATOM 0 HA GLU D 42 17.383 -1.818 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU D 42 18.960 0.771 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU D 42 18.833 -0.152 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU D 42 19.674 -2.139 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU D 42 20.311 -0.801 -6.100 1.00 0.00 H new ATOM 3261 N TRP D 43 16.044 -0.342 -3.198 1.00 0.00 N ATOM 3262 CA TRP D 43 14.993 0.330 -2.445 1.00 0.00 C ATOM 3263 C TRP D 43 15.428 1.720 -2.013 1.00 0.00 C ATOM 3264 O TRP D 43 16.384 1.880 -1.254 1.00 0.00 O ATOM 3265 CB TRP D 43 14.598 -0.501 -1.223 1.00 0.00 C ATOM 3266 CG TRP D 43 13.756 -1.692 -1.568 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.178 -2.984 -1.695 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.349 -1.700 -1.836 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.120 -3.795 -2.023 1.00 0.00 N ATOM 3270 CE2 TRP D 43 11.986 -3.031 -2.116 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.361 -0.711 -1.865 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 10.677 -3.397 -2.420 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 10.063 -1.076 -2.168 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.731 -2.409 -2.442 1.00 0.00 C ATOM 0 H TRP D 43 16.511 -1.094 -2.691 1.00 0.00 H new ATOM 0 HA TRP D 43 14.127 0.433 -3.099 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.501 -0.837 -0.713 1.00 0.00 H new ATOM 0 HB3 TRP D 43 14.053 0.131 -0.522 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.195 -3.319 -1.558 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.170 -4.803 -2.173 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.608 0.319 -1.654 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.418 -4.424 -2.631 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.291 -0.321 -2.194 1.00 0.00 H new ATOM 0 HH2 TRP D 43 8.707 -2.662 -2.675 1.00 0.00 H new ATOM 3285 N THR D 44 14.712 2.726 -2.501 1.00 0.00 N ATOM 3286 CA THR D 44 15.012 4.108 -2.167 1.00 0.00 C ATOM 3287 C THR D 44 13.921 4.689 -1.278 1.00 0.00 C ATOM 3288 O THR D 44 12.734 4.438 -1.485 1.00 0.00 O ATOM 3289 CB THR D 44 15.154 4.947 -3.438 1.00 0.00 C ATOM 3290 OG1 THR D 44 13.944 4.949 -4.174 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.253 4.457 -4.358 1.00 0.00 C ATOM 0 H THR D 44 13.918 2.607 -3.131 1.00 0.00 H new ATOM 0 HA THR D 44 15.957 4.132 -1.624 1.00 0.00 H new ATOM 0 HB THR D 44 15.409 5.950 -3.097 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.211 4.643 -3.600 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.301 5.095 -5.240 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.208 4.490 -3.834 1.00 0.00 H new ATOM 0 HG23 THR D 44 16.042 3.432 -4.663 1.00 0.00 H new ATOM 3299 N TYR D 45 14.336 5.466 -0.291 1.00 0.00 N ATOM 3300 CA TYR D 45 13.403 6.091 0.638 1.00 0.00 C ATOM 3301 C TYR D 45 12.602 7.189 -0.055 1.00 0.00 C ATOM 3302 O TYR D 45 13.126 7.914 -0.899 1.00 0.00 O ATOM 3303 CB TYR D 45 14.154 6.669 1.838 1.00 0.00 C ATOM 3304 CG TYR D 45 14.518 5.635 2.878 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.590 5.216 3.823 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.790 5.077 2.916 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.918 4.270 4.776 1.00 0.00 C ATOM 3308 CE2 TYR D 45 16.126 4.130 3.866 1.00 0.00 C ATOM 3309 CZ TYR D 45 15.186 3.731 4.792 1.00 0.00 C ATOM 3310 OH TYR D 45 15.517 2.789 5.739 1.00 0.00 O ATOM 0 H TYR D 45 15.317 5.681 -0.110 1.00 0.00 H new ATOM 0 HA TYR D 45 12.710 5.326 0.989 1.00 0.00 H new ATOM 0 HB2 TYR D 45 15.064 7.155 1.487 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.540 7.440 2.303 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.595 5.637 3.813 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.528 5.388 2.192 1.00 0.00 H new ATOM 0 HE1 TYR D 45 13.185 3.955 5.504 1.00 0.00 H new ATOM 0 HE2 TYR D 45 17.119 3.706 3.882 1.00 0.00 H new ATOM 0 HH TYR D 45 16.448 2.510 5.612 1.00 0.00 H new ATOM 3320 N ASP D 46 11.327 7.305 0.307 1.00 0.00 N ATOM 3321 CA ASP D 46 10.456 8.318 -0.281 1.00 0.00 C ATOM 3322 C ASP D 46 10.826 9.709 0.222 1.00 0.00 C ATOM 3323 O ASP D 46 11.446 9.854 1.276 1.00 0.00 O ATOM 3324 CB ASP D 46 8.993 8.030 0.063 1.00 0.00 C ATOM 3325 CG ASP D 46 8.378 6.966 -0.825 1.00 0.00 C ATOM 3326 OD1 ASP D 46 8.761 5.786 -0.688 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.511 7.315 -1.653 1.00 0.00 O ATOM 0 H ASP D 46 10.875 6.712 1.003 1.00 0.00 H new ATOM 0 HA ASP D 46 10.588 8.284 -1.362 1.00 0.00 H new ATOM 0 HB2 ASP D 46 8.925 7.712 1.103 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.416 8.950 -0.027 1.00 0.00 H new ATOM 3332 N ASP D 47 10.441 10.730 -0.537 1.00 0.00 N ATOM 3333 CA ASP D 47 10.733 12.109 -0.162 1.00 0.00 C ATOM 3334 C ASP D 47 9.989 12.485 1.115 1.00 0.00 C ATOM 3335 O ASP D 47 8.786 12.253 1.235 1.00 0.00 O ATOM 3336 CB ASP D 47 10.346 13.061 -1.294 1.00 0.00 C ATOM 3337 CG ASP D 47 10.920 14.451 -1.101 1.00 0.00 C ATOM 3338 OD1 ASP D 47 12.155 14.605 -1.215 1.00 0.00 O ATOM 3339 OD2 ASP D 47 10.135 15.386 -0.837 1.00 0.00 O ATOM 0 H ASP D 47 9.928 10.629 -1.413 1.00 0.00 H new ATOM 0 HA ASP D 47 11.804 12.196 0.020 1.00 0.00 H new ATOM 0 HB2 ASP D 47 10.696 12.655 -2.243 1.00 0.00 H new ATOM 0 HB3 ASP D 47 9.260 13.125 -1.356 1.00 0.00 H new ATOM 3344 N ALA D 48 10.715 13.052 2.072 1.00 0.00 N ATOM 3345 CA ALA D 48 10.130 13.447 3.350 1.00 0.00 C ATOM 3346 C ALA D 48 8.931 14.373 3.163 1.00 0.00 C ATOM 3347 O ALA D 48 8.924 15.231 2.281 1.00 0.00 O ATOM 3348 CB ALA D 48 11.181 14.113 4.225 1.00 0.00 C ATOM 0 H ALA D 48 11.712 13.249 1.987 1.00 0.00 H new ATOM 0 HA ALA D 48 9.772 12.543 3.844 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.733 14.403 5.175 1.00 0.00 H new ATOM 0 HB2 ALA D 48 11.998 13.415 4.407 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.566 14.999 3.720 1.00 0.00 H new ATOM 3354 N THR D 49 7.922 14.186 4.008 1.00 0.00 N ATOM 3355 CA THR D 49 6.708 14.995 3.956 1.00 0.00 C ATOM 3356 C THR D 49 6.236 15.340 5.366 1.00 0.00 C ATOM 3357 O THR D 49 6.563 14.642 6.325 1.00 0.00 O ATOM 3358 CB THR D 49 5.603 14.249 3.205 1.00 0.00 C ATOM 3359 OG1 THR D 49 6.131 13.582 2.072 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.489 15.155 2.727 1.00 0.00 C ATOM 0 H THR D 49 7.921 13.477 4.741 1.00 0.00 H new ATOM 0 HA THR D 49 6.934 15.920 3.425 1.00 0.00 H new ATOM 0 HB THR D 49 5.190 13.541 3.924 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.410 13.109 1.605 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.739 14.563 2.203 1.00 0.00 H new ATOM 0 HG22 THR D 49 4.029 15.649 3.583 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.896 15.907 2.051 1.00 0.00 H new ATOM 3368 N LYS D 50 5.475 16.423 5.492 1.00 0.00 N ATOM 3369 CA LYS D 50 4.974 16.848 6.795 1.00 0.00 C ATOM 3370 C LYS D 50 3.462 17.053 6.774 1.00 0.00 C ATOM 3371 O LYS D 50 2.937 17.825 5.972 1.00 0.00 O ATOM 3372 CB LYS D 50 5.668 18.140 7.231 1.00 0.00 C ATOM 3373 CG LYS D 50 6.975 17.905 7.972 1.00 0.00 C ATOM 3374 CD LYS D 50 7.572 19.208 8.476 1.00 0.00 C ATOM 3375 CE LYS D 50 8.252 19.979 7.357 1.00 0.00 C ATOM 3376 NZ LYS D 50 9.230 20.971 7.879 1.00 0.00 N ATOM 0 H LYS D 50 5.193 17.019 4.714 1.00 0.00 H new ATOM 0 HA LYS D 50 5.197 16.057 7.511 1.00 0.00 H new ATOM 0 HB2 LYS D 50 5.863 18.753 6.351 1.00 0.00 H new ATOM 0 HB3 LYS D 50 4.993 18.708 7.872 1.00 0.00 H new ATOM 0 HG2 LYS D 50 6.802 17.234 8.813 1.00 0.00 H new ATOM 0 HG3 LYS D 50 7.686 17.410 7.310 1.00 0.00 H new ATOM 0 HD2 LYS D 50 6.787 19.822 8.918 1.00 0.00 H new ATOM 0 HD3 LYS D 50 8.294 18.997 9.265 1.00 0.00 H new ATOM 0 HE2 LYS D 50 8.763 19.281 6.694 1.00 0.00 H new ATOM 0 HE3 LYS D 50 7.498 20.492 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 9.671 21.475 7.084 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 8.739 21.653 8.492 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 9.964 20.479 8.427 1.00 0.00 H new ATOM 3390 N THR D 51 2.773 16.355 7.671 1.00 0.00 N ATOM 3391 CA THR D 51 1.322 16.448 7.779 1.00 0.00 C ATOM 3392 C THR D 51 0.935 17.236 9.031 1.00 0.00 C ATOM 3393 O THR D 51 1.478 17.005 10.111 1.00 0.00 O ATOM 3394 CB THR D 51 0.714 15.041 7.807 1.00 0.00 C ATOM 3395 OG1 THR D 51 0.870 14.410 6.549 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.762 15.019 8.144 1.00 0.00 C ATOM 0 H THR D 51 3.201 15.714 8.339 1.00 0.00 H new ATOM 0 HA THR D 51 0.929 16.978 6.911 1.00 0.00 H new ATOM 0 HB THR D 51 1.253 14.514 8.595 1.00 0.00 H new ATOM 0 HG1 THR D 51 1.078 13.462 6.682 1.00 0.00 H new ATOM 0 HG21 THR D 51 -1.120 13.989 8.144 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.917 15.457 9.130 1.00 0.00 H new ATOM 0 HG23 THR D 51 -1.314 15.594 7.401 1.00 0.00 H new ATOM 3404 N PHE D 52 -0.005 18.168 8.880 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.457 18.987 10.003 1.00 0.00 C ATOM 3406 C PHE D 52 -1.476 18.244 10.862 1.00 0.00 C ATOM 3407 O PHE D 52 -2.560 17.896 10.392 1.00 0.00 O ATOM 3408 CB PHE D 52 -1.065 20.299 9.500 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.367 21.279 10.600 1.00 0.00 C ATOM 3410 CD1 PHE D 52 -0.383 22.129 11.078 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.635 21.347 11.156 1.00 0.00 C ATOM 3412 CE1 PHE D 52 -0.659 23.031 12.090 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -2.915 22.246 12.167 1.00 0.00 C ATOM 3414 CZ PHE D 52 -1.926 23.089 12.635 1.00 0.00 C ATOM 0 H PHE D 52 -0.467 18.374 7.994 1.00 0.00 H new ATOM 0 HA PHE D 52 0.415 19.207 10.619 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.378 20.761 8.791 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -1.984 20.080 8.957 1.00 0.00 H new ATOM 0 HD1 PHE D 52 0.610 22.087 10.656 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.412 20.690 10.795 1.00 0.00 H new ATOM 0 HE1 PHE D 52 0.116 23.689 12.453 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -3.907 22.290 12.591 1.00 0.00 H new ATOM 0 HZ PHE D 52 -2.143 23.792 13.426 1.00 0.00 H new ATOM 3424 N THR D 53 -1.133 18.018 12.124 1.00 0.00 N ATOM 3425 CA THR D 53 -2.031 17.333 13.046 1.00 0.00 C ATOM 3426 C THR D 53 -2.896 18.346 13.793 1.00 0.00 C ATOM 3427 O THR D 53 -2.379 19.231 14.474 1.00 0.00 O ATOM 3428 CB THR D 53 -1.235 16.486 14.042 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.464 15.509 13.364 1.00 0.00 O ATOM 3430 CG2 THR D 53 -2.106 15.765 15.048 1.00 0.00 C ATOM 0 H THR D 53 -0.241 18.298 12.532 1.00 0.00 H new ATOM 0 HA THR D 53 -2.679 16.673 12.469 1.00 0.00 H new ATOM 0 HB THR D 53 -0.599 17.192 14.577 1.00 0.00 H new ATOM 0 HG1 THR D 53 0.109 15.947 12.700 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.478 15.184 15.723 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.678 16.494 15.622 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.790 15.097 14.524 1.00 0.00 H new ATOM 3438 N VAL D 54 -4.212 18.216 13.657 1.00 0.00 N ATOM 3439 CA VAL D 54 -5.136 19.129 14.320 1.00 0.00 C ATOM 3440 C VAL D 54 -5.155 18.890 15.825 1.00 0.00 C ATOM 3441 O VAL D 54 -4.817 17.804 16.295 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.571 18.987 13.778 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.429 20.159 14.230 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.567 18.878 12.260 1.00 0.00 C ATOM 0 H VAL D 54 -4.661 17.491 13.097 1.00 0.00 H new ATOM 0 HA VAL D 54 -4.778 20.137 14.111 1.00 0.00 H new ATOM 0 HB VAL D 54 -7.000 18.070 14.182 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.439 20.043 13.838 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.463 20.186 15.319 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -7.000 21.089 13.857 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.591 18.779 11.900 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -6.117 19.774 11.832 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -5.990 18.003 11.960 1.00 0.00 H new ATOM 3454 N THR D 55 -5.552 19.911 16.574 1.00 0.00 N ATOM 3455 CA THR D 55 -5.614 19.811 18.028 1.00 0.00 C ATOM 3456 C THR D 55 -6.737 20.674 18.590 1.00 0.00 C ATOM 3457 O THR D 55 -7.762 20.162 19.041 1.00 0.00 O ATOM 3458 CB THR D 55 -4.275 20.220 18.644 1.00 0.00 C ATOM 3459 OG1 THR D 55 -3.225 19.415 18.135 1.00 0.00 O ATOM 3460 CG2 THR D 55 -4.251 20.106 20.153 1.00 0.00 C ATOM 0 H THR D 55 -5.836 20.817 16.200 1.00 0.00 H new ATOM 0 HA THR D 55 -5.822 18.773 18.287 1.00 0.00 H new ATOM 0 HB THR D 55 -4.138 21.267 18.373 1.00 0.00 H new ATOM 0 HG1 THR D 55 -2.408 19.580 18.650 1.00 0.00 H new ATOM 0 HG21 THR D 55 -3.273 20.411 20.525 1.00 0.00 H new ATOM 0 HG22 THR D 55 -5.019 20.752 20.579 1.00 0.00 H new ATOM 0 HG23 THR D 55 -4.444 19.073 20.443 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.538 21.985 18.559 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.534 22.922 19.068 1.00 0.00 C ATOM 3470 C GLU D 56 -8.409 23.453 17.937 1.00 0.00 C ATOM 3471 O GLU D 56 -9.114 24.461 18.159 1.00 0.00 O ATOM 3472 CB GLU D 56 -6.850 24.084 19.790 1.00 0.00 C ATOM 3473 CG GLU D 56 -6.692 23.859 21.285 1.00 0.00 C ATOM 3474 CD GLU D 56 -5.615 24.735 21.896 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -4.564 24.921 21.247 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -5.822 25.233 23.022 1.00 0.00 O ATOM 3477 OXT GLU D 56 -8.383 22.858 16.839 1.00 0.00 O ATOM 0 H GLU D 56 -5.696 22.425 18.187 1.00 0.00 H new ATOM 0 HA GLU D 56 -8.170 22.389 19.775 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -5.867 24.247 19.349 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -7.428 24.994 19.626 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -7.642 24.058 21.781 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -6.450 22.812 21.468 1.00 0.00 H new