USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 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: A 28 THR OG1 : rot -93:sc= -1.73! USER MOD Set 1.2: A 31 SER OG : rot 98:sc= 0.835 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.93!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 17 SER OG : rot 73:sc= 1.08 USER MOD Single : A 21 SER OG : rot -90:sc= -0.544! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 150:sc= -7.26! (180deg=-9.98!) USER MOD Single : A 35 SER OG : rot 180:sc= -1.97! USER MOD Single : A 39 GLN : amide:sc= -6.05! C(o=-6.1!,f=-11!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -131:sc= -8.39! USER MOD Single : A 52 SER OG : rot -170:sc= -0.64 USER MOD Single : A 54 SER OG : rot -44:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.658 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.63! C(o=-3.6!,f=-6!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.65) USER MOD Single : A 78 THR OG1 : rot 140:sc= -2.22! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 83 MET CE :methyl -108:sc= -23.9! (180deg=-30.8!) USER MOD Single : A 84 ASN : amide:sc= -1.08! C(o=-1.1!,f=-4.6!) USER MOD Single : A 85 SER OG : rot -75:sc= -1.95! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -143:sc= 0.168 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= -3.59! (180deg=-4.37!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot -73:sc= -0.609! USER MOD Single : A 106 TYR OH : rot 108:sc= -0.747! USER MOD Single : A 109 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.6!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.264 10.788 -14.305 1.00 0.00 N ATOM 11 CA VAL A 2 -11.363 9.738 -13.755 1.00 0.00 C ATOM 12 C VAL A 2 -12.176 8.446 -13.559 1.00 0.00 C ATOM 13 O VAL A 2 -13.365 8.485 -13.309 1.00 0.00 O ATOM 14 CB VAL A 2 -10.780 10.235 -12.422 1.00 0.00 C ATOM 15 CG1 VAL A 2 -10.089 9.090 -11.690 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.750 11.332 -12.699 1.00 0.00 C ATOM 0 HA VAL A 2 -10.539 9.531 -14.438 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.591 10.623 -11.806 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.680 9.455 -10.748 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.811 8.298 -11.490 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.281 8.698 -12.308 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.334 11.687 -11.756 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.949 10.931 -13.320 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.232 12.161 -13.218 1.00 0.00 H new ATOM 17 N GLN A 3 -11.548 7.304 -13.687 1.00 0.00 N ATOM 18 CA GLN A 3 -12.283 6.004 -13.528 1.00 0.00 C ATOM 19 C GLN A 3 -11.243 4.895 -13.556 1.00 0.00 C ATOM 20 O GLN A 3 -10.535 4.738 -14.528 1.00 0.00 O ATOM 21 CB GLN A 3 -13.268 5.819 -14.686 1.00 0.00 C ATOM 22 CG GLN A 3 -13.853 4.405 -14.643 1.00 0.00 C ATOM 23 CD GLN A 3 -15.098 4.338 -15.531 1.00 0.00 C ATOM 24 OE1 GLN A 3 -15.289 5.174 -16.391 1.00 0.00 O ATOM 25 NE2 GLN A 3 -15.957 3.371 -15.359 1.00 0.00 N ATOM 0 H GLN A 3 -10.554 7.212 -13.896 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.845 5.988 -12.594 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.068 6.556 -14.617 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.762 5.985 -15.637 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.111 3.683 -14.984 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.110 4.138 -13.618 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.797 2.669 -14.637 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.789 3.317 -15.947 1.00 0.00 H new ATOM 26 N LEU A 4 -11.077 4.168 -12.482 1.00 0.00 N ATOM 27 CA LEU A 4 -9.995 3.147 -12.480 1.00 0.00 C ATOM 28 C LEU A 4 -10.238 2.012 -11.485 1.00 0.00 C ATOM 29 O LEU A 4 -11.288 1.904 -10.887 1.00 0.00 O ATOM 30 CB LEU A 4 -8.686 3.836 -12.116 1.00 0.00 C ATOM 31 CG LEU A 4 -8.925 5.104 -11.288 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.385 6.258 -12.168 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.945 4.868 -10.170 1.00 0.00 C ATOM 0 H LEU A 4 -11.630 4.235 -11.627 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.965 2.703 -13.475 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.056 3.147 -11.553 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.144 4.092 -13.026 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.970 5.366 -10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.546 7.143 -11.553 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.622 6.471 -12.917 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.316 5.987 -12.665 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.087 5.790 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.896 4.558 -10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.579 4.087 -9.503 1.00 0.00 H new ATOM 34 N VAL A 5 -9.241 1.162 -11.316 1.00 0.00 N ATOM 35 CA VAL A 5 -9.365 0.004 -10.370 1.00 0.00 C ATOM 36 C VAL A 5 -8.069 -0.841 -10.408 1.00 0.00 C ATOM 37 O VAL A 5 -7.728 -1.409 -11.424 1.00 0.00 O ATOM 38 CB VAL A 5 -10.575 -0.856 -10.796 1.00 0.00 C ATOM 39 CG1 VAL A 5 -10.321 -2.344 -10.522 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.811 -0.413 -10.014 1.00 0.00 C ATOM 0 H VAL A 5 -8.344 1.225 -11.798 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.514 0.366 -9.353 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.730 -0.720 -11.866 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.190 -2.925 -10.832 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.446 -2.673 -11.083 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.146 -2.493 -9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.667 -1.018 -10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.631 -0.540 -8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.018 0.636 -10.224 1.00 0.00 H new ATOM 41 N GLU A 6 -7.360 -0.944 -9.302 1.00 0.00 N ATOM 42 CA GLU A 6 -6.096 -1.765 -9.271 1.00 0.00 C ATOM 43 C GLU A 6 -6.299 -3.057 -10.076 1.00 0.00 C ATOM 44 O GLU A 6 -7.413 -3.448 -10.358 1.00 0.00 O ATOM 45 CB GLU A 6 -5.755 -2.127 -7.823 1.00 0.00 C ATOM 46 CG GLU A 6 -6.808 -3.088 -7.272 1.00 0.00 C ATOM 47 CD GLU A 6 -8.103 -2.322 -7.010 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.108 -1.498 -6.111 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.065 -2.567 -7.716 1.00 0.00 O ATOM 0 H GLU A 6 -7.601 -0.495 -8.418 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.283 -1.185 -9.707 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.768 -2.587 -7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.716 -1.225 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.987 -3.895 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.451 -3.547 -6.350 1.00 0.00 H new ATOM 50 N SER A 7 -5.235 -3.734 -10.446 1.00 0.00 N ATOM 51 CA SER A 7 -5.404 -4.993 -11.224 1.00 0.00 C ATOM 52 C SER A 7 -4.040 -5.647 -11.441 1.00 0.00 C ATOM 53 O SER A 7 -3.013 -5.006 -11.355 1.00 0.00 O ATOM 54 CB SER A 7 -6.037 -4.675 -12.579 1.00 0.00 C ATOM 55 OG SER A 7 -6.693 -5.834 -13.075 1.00 0.00 O ATOM 0 H SER A 7 -4.271 -3.469 -10.243 1.00 0.00 H new ATOM 0 HA SER A 7 -6.050 -5.675 -10.672 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.749 -3.856 -12.477 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.272 -4.347 -13.283 1.00 0.00 H new ATOM 0 HG SER A 7 -7.101 -5.633 -13.943 1.00 0.00 H new ATOM 56 N GLY A 8 -4.021 -6.920 -11.723 1.00 0.00 N ATOM 57 CA GLY A 8 -2.724 -7.613 -11.948 1.00 0.00 C ATOM 58 C GLY A 8 -2.800 -9.038 -11.399 1.00 0.00 C ATOM 59 O GLY A 8 -3.461 -9.894 -11.953 1.00 0.00 O ATOM 0 H GLY A 8 -4.849 -7.510 -11.807 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.492 -7.635 -13.013 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.919 -7.066 -11.458 1.00 0.00 H new ATOM 60 N GLY A 9 -2.129 -9.301 -10.312 1.00 0.00 N ATOM 61 CA GLY A 9 -2.160 -10.671 -9.728 1.00 0.00 C ATOM 62 C GLY A 9 -0.975 -11.479 -10.258 1.00 0.00 C ATOM 63 O GLY A 9 -1.116 -12.617 -10.658 1.00 0.00 O ATOM 0 H GLY A 9 -1.560 -8.625 -9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.118 -10.615 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.096 -11.167 -9.986 1.00 0.00 H new ATOM 64 N GLY A 10 0.194 -10.899 -10.263 1.00 0.00 N ATOM 65 CA GLY A 10 1.387 -11.636 -10.767 1.00 0.00 C ATOM 66 C GLY A 10 2.021 -12.425 -9.618 1.00 0.00 C ATOM 67 O GLY A 10 1.944 -12.033 -8.469 1.00 0.00 O ATOM 0 H GLY A 10 0.374 -9.948 -9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.097 -12.313 -11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.111 -10.936 -11.185 1.00 0.00 H new ATOM 68 N LEU A 11 2.654 -13.531 -9.913 1.00 0.00 N ATOM 69 CA LEU A 11 3.296 -14.322 -8.827 1.00 0.00 C ATOM 70 C LEU A 11 4.520 -13.558 -8.337 1.00 0.00 C ATOM 71 O LEU A 11 4.880 -12.537 -8.888 1.00 0.00 O ATOM 72 CB LEU A 11 3.720 -15.695 -9.349 1.00 0.00 C ATOM 73 CG LEU A 11 2.504 -16.414 -9.935 1.00 0.00 C ATOM 74 CD1 LEU A 11 2.971 -17.527 -10.874 1.00 0.00 C ATOM 75 CD2 LEU A 11 1.675 -17.021 -8.801 1.00 0.00 C ATOM 0 H LEU A 11 2.753 -13.917 -10.852 1.00 0.00 H new ATOM 0 HA LEU A 11 2.589 -14.469 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.492 -15.584 -10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.151 -16.286 -8.541 1.00 0.00 H new ATOM 0 HG LEU A 11 1.895 -15.701 -10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.104 -18.039 -11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.562 -17.097 -11.683 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.581 -18.240 -10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.808 -17.534 -9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.285 -17.733 -8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.340 -16.229 -8.131 1.00 0.00 H new ATOM 76 N VAL A 12 5.152 -14.015 -7.295 1.00 0.00 N ATOM 77 CA VAL A 12 6.333 -13.263 -6.783 1.00 0.00 C ATOM 78 C VAL A 12 7.061 -14.032 -5.679 1.00 0.00 C ATOM 79 O VAL A 12 7.034 -13.644 -4.530 1.00 0.00 O ATOM 80 CB VAL A 12 5.851 -11.934 -6.207 1.00 0.00 C ATOM 81 CG1 VAL A 12 5.947 -10.849 -7.281 1.00 0.00 C ATOM 82 CG2 VAL A 12 4.393 -12.076 -5.745 1.00 0.00 C ATOM 0 H VAL A 12 4.909 -14.862 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 12 7.026 -13.113 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 12 6.474 -11.657 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.603 -9.900 -6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.983 -10.750 -7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.324 -11.123 -8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.048 -11.128 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.768 -12.352 -6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.328 -12.849 -4.979 1.00 0.00 H new ATOM 83 N GLN A 13 7.740 -15.092 -6.008 1.00 0.00 N ATOM 84 CA GLN A 13 8.489 -15.829 -4.954 1.00 0.00 C ATOM 85 C GLN A 13 9.410 -14.812 -4.252 1.00 0.00 C ATOM 86 O GLN A 13 9.361 -13.642 -4.568 1.00 0.00 O ATOM 87 CB GLN A 13 9.293 -16.958 -5.624 1.00 0.00 C ATOM 88 CG GLN A 13 10.701 -16.478 -5.997 1.00 0.00 C ATOM 89 CD GLN A 13 11.467 -17.618 -6.670 1.00 0.00 C ATOM 90 OE1 GLN A 13 11.805 -18.597 -6.035 1.00 0.00 O ATOM 91 NE2 GLN A 13 11.756 -17.533 -7.940 1.00 0.00 N ATOM 0 H GLN A 13 7.810 -15.478 -6.950 1.00 0.00 H new ATOM 0 HA GLN A 13 7.827 -16.282 -4.216 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.362 -17.811 -4.949 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.772 -17.300 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.639 -15.621 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.232 -16.146 -5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.472 -16.711 -8.474 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.265 -18.288 -8.399 1.00 0.00 H new ATOM 92 N PRO A 14 10.230 -15.264 -3.335 1.00 0.00 N ATOM 93 CA PRO A 14 11.150 -14.364 -2.627 1.00 0.00 C ATOM 94 C PRO A 14 12.254 -13.916 -3.580 1.00 0.00 C ATOM 95 O PRO A 14 13.054 -14.703 -4.047 1.00 0.00 O ATOM 96 CB PRO A 14 11.679 -15.213 -1.468 1.00 0.00 C ATOM 97 CG PRO A 14 11.446 -16.685 -1.866 1.00 0.00 C ATOM 98 CD PRO A 14 10.334 -16.680 -2.931 1.00 0.00 C ATOM 0 HA PRO A 14 10.686 -13.448 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.738 -15.020 -1.297 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.157 -14.974 -0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.360 -17.129 -2.261 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.152 -17.279 -1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.589 -17.318 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.392 -17.049 -2.526 1.00 0.00 H new ATOM 99 N GLY A 15 12.268 -12.652 -3.906 1.00 0.00 N ATOM 100 CA GLY A 15 13.276 -12.138 -4.868 1.00 0.00 C ATOM 101 C GLY A 15 12.670 -12.239 -6.267 1.00 0.00 C ATOM 102 O GLY A 15 13.364 -12.259 -7.265 1.00 0.00 O ATOM 0 H GLY A 15 11.620 -11.952 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.535 -11.105 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.196 -12.719 -4.806 1.00 0.00 H new ATOM 103 N GLY A 16 11.365 -12.320 -6.334 1.00 0.00 N ATOM 104 CA GLY A 16 10.678 -12.440 -7.648 1.00 0.00 C ATOM 105 C GLY A 16 10.429 -11.055 -8.242 1.00 0.00 C ATOM 106 O GLY A 16 11.341 -10.387 -8.690 1.00 0.00 O ATOM 0 H GLY A 16 10.744 -12.308 -5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.286 -13.033 -8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.731 -12.966 -7.525 1.00 0.00 H new ATOM 107 N SER A 17 9.197 -10.624 -8.253 1.00 0.00 N ATOM 108 CA SER A 17 8.869 -9.289 -8.821 1.00 0.00 C ATOM 109 C SER A 17 7.381 -9.248 -9.145 1.00 0.00 C ATOM 110 O SER A 17 6.868 -10.085 -9.861 1.00 0.00 O ATOM 111 CB SER A 17 9.675 -9.052 -10.100 1.00 0.00 C ATOM 112 OG SER A 17 10.785 -8.214 -9.805 1.00 0.00 O ATOM 0 H SER A 17 8.399 -11.145 -7.890 1.00 0.00 H new ATOM 0 HA SER A 17 9.118 -8.512 -8.098 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.020 -10.002 -10.508 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.046 -8.588 -10.860 1.00 0.00 H new ATOM 0 HG SER A 17 11.455 -8.724 -9.304 1.00 0.00 H new ATOM 113 N LEU A 18 6.682 -8.285 -8.623 1.00 0.00 N ATOM 114 CA LEU A 18 5.225 -8.197 -8.900 1.00 0.00 C ATOM 115 C LEU A 18 5.006 -7.563 -10.257 1.00 0.00 C ATOM 116 O LEU A 18 5.826 -6.811 -10.738 1.00 0.00 O ATOM 117 CB LEU A 18 4.551 -7.294 -7.874 1.00 0.00 C ATOM 118 CG LEU A 18 3.555 -8.069 -7.016 1.00 0.00 C ATOM 119 CD1 LEU A 18 2.743 -9.046 -7.876 1.00 0.00 C ATOM 120 CD2 LEU A 18 4.318 -8.834 -5.939 1.00 0.00 C ATOM 0 H LEU A 18 7.055 -7.555 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 18 4.809 -9.204 -8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.308 -6.840 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.036 -6.481 -8.386 1.00 0.00 H new ATOM 0 HG LEU A 18 2.861 -7.368 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.039 -9.588 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.195 -8.491 -8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.418 -9.754 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.614 -9.391 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.015 -9.527 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.871 -8.131 -5.316 1.00 0.00 H new ATOM 121 N ARG A 19 3.883 -7.830 -10.852 1.00 0.00 N ATOM 122 CA ARG A 19 3.566 -7.221 -12.162 1.00 0.00 C ATOM 123 C ARG A 19 2.073 -6.892 -12.184 1.00 0.00 C ATOM 124 O ARG A 19 1.293 -7.532 -12.858 1.00 0.00 O ATOM 125 CB ARG A 19 3.891 -8.201 -13.283 1.00 0.00 C ATOM 126 CG ARG A 19 3.343 -7.652 -14.603 1.00 0.00 C ATOM 127 CD ARG A 19 4.030 -8.353 -15.777 1.00 0.00 C ATOM 128 NE ARG A 19 5.269 -7.611 -16.142 1.00 0.00 N ATOM 129 CZ ARG A 19 6.183 -8.187 -16.876 1.00 0.00 C ATOM 130 NH1 ARG A 19 5.841 -8.828 -17.962 1.00 0.00 N ATOM 131 NH2 ARG A 19 7.437 -8.123 -16.523 1.00 0.00 N ATOM 0 H ARG A 19 3.165 -8.452 -10.481 1.00 0.00 H new ATOM 0 HA ARG A 19 4.157 -6.317 -12.308 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.969 -8.346 -13.355 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.452 -9.175 -13.070 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.265 -7.808 -14.654 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.512 -6.577 -14.659 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.275 -9.381 -15.508 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.356 -8.399 -16.632 1.00 0.00 H new ATOM 0 HE ARG A 19 5.404 -6.653 -15.819 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.860 -8.879 -18.237 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.555 -9.278 -18.535 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.703 -7.623 -15.674 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.152 -8.573 -17.096 1.00 0.00 H new ATOM 132 N LEU A 20 1.669 -5.904 -11.440 1.00 0.00 N ATOM 133 CA LEU A 20 0.223 -5.536 -11.407 1.00 0.00 C ATOM 134 C LEU A 20 0.060 -4.157 -12.024 1.00 0.00 C ATOM 135 O LEU A 20 0.783 -3.783 -12.924 1.00 0.00 O ATOM 136 CB LEU A 20 -0.288 -5.525 -9.961 1.00 0.00 C ATOM 137 CG LEU A 20 0.617 -6.390 -9.089 1.00 0.00 C ATOM 138 CD1 LEU A 20 1.711 -5.523 -8.472 1.00 0.00 C ATOM 139 CD2 LEU A 20 -0.218 -7.022 -7.980 1.00 0.00 C ATOM 0 H LEU A 20 2.276 -5.333 -10.852 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.356 -6.268 -11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.308 -4.504 -9.580 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.311 -5.899 -9.924 1.00 0.00 H new ATOM 0 HG LEU A 20 1.076 -7.171 -9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.357 -6.141 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.302 -5.064 -9.265 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.256 -4.743 -7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.421 -7.642 -7.352 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.671 -6.238 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.001 -7.638 -8.421 1.00 0.00 H new ATOM 140 N SER A 21 -0.884 -3.396 -11.563 1.00 0.00 N ATOM 141 CA SER A 21 -1.074 -2.050 -12.148 1.00 0.00 C ATOM 142 C SER A 21 -2.264 -1.339 -11.505 1.00 0.00 C ATOM 143 O SER A 21 -2.702 -1.671 -10.420 1.00 0.00 O ATOM 144 CB SER A 21 -1.336 -2.188 -13.646 1.00 0.00 C ATOM 145 OG SER A 21 -1.423 -3.563 -13.995 1.00 0.00 O ATOM 0 H SER A 21 -1.528 -3.645 -10.812 1.00 0.00 H new ATOM 0 HA SER A 21 -0.173 -1.464 -11.967 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.261 -1.677 -13.911 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.535 -1.710 -14.210 1.00 0.00 H new ATOM 0 HG SER A 21 -0.534 -3.896 -14.239 1.00 0.00 H new ATOM 146 N CYS A 22 -2.780 -0.357 -12.189 1.00 0.00 N ATOM 147 CA CYS A 22 -3.934 0.414 -11.679 1.00 0.00 C ATOM 148 C CYS A 22 -4.826 0.786 -12.857 1.00 0.00 C ATOM 149 O CYS A 22 -4.540 1.710 -13.595 1.00 0.00 O ATOM 150 CB CYS A 22 -3.430 1.674 -10.994 1.00 0.00 C ATOM 151 SG CYS A 22 -3.279 1.327 -9.235 1.00 0.00 S ATOM 0 H CYS A 22 -2.438 -0.054 -13.101 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.500 -0.179 -10.961 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.467 1.974 -11.408 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.120 2.501 -11.162 1.00 0.00 H new ATOM 152 N ALA A 23 -5.902 0.071 -13.044 1.00 0.00 N ATOM 153 CA ALA A 23 -6.815 0.392 -14.173 1.00 0.00 C ATOM 154 C ALA A 23 -7.040 1.898 -14.171 1.00 0.00 C ATOM 155 O ALA A 23 -6.819 2.546 -13.172 1.00 0.00 O ATOM 156 CB ALA A 23 -8.148 -0.332 -13.975 1.00 0.00 C ATOM 0 H ALA A 23 -6.186 -0.719 -12.465 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.383 0.072 -15.121 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.817 -0.096 -14.803 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.976 -1.408 -13.942 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.602 -0.008 -13.038 1.00 0.00 H new ATOM 157 N ALA A 24 -7.472 2.461 -15.268 1.00 0.00 N ATOM 158 CA ALA A 24 -7.701 3.934 -15.311 1.00 0.00 C ATOM 159 C ALA A 24 -7.868 4.387 -16.763 1.00 0.00 C ATOM 160 O ALA A 24 -7.232 3.869 -17.667 1.00 0.00 O ATOM 161 CB ALA A 24 -6.507 4.660 -14.683 1.00 0.00 C ATOM 0 H ALA A 24 -7.676 1.965 -16.135 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.605 4.173 -14.751 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.677 5.736 -14.716 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.392 4.342 -13.647 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.601 4.419 -15.239 1.00 0.00 H new ATOM 162 N SER A 25 -8.722 5.353 -16.995 1.00 0.00 N ATOM 163 CA SER A 25 -8.934 5.837 -18.389 1.00 0.00 C ATOM 164 C SER A 25 -9.671 7.180 -18.366 1.00 0.00 C ATOM 165 O SER A 25 -9.410 8.056 -19.168 1.00 0.00 O ATOM 166 CB SER A 25 -9.771 4.814 -19.159 1.00 0.00 C ATOM 167 OG SER A 25 -10.125 5.355 -20.424 1.00 0.00 O ATOM 0 H SER A 25 -9.278 5.824 -16.281 1.00 0.00 H new ATOM 0 HA SER A 25 -7.967 5.964 -18.876 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.207 3.890 -19.290 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.669 4.562 -18.594 1.00 0.00 H new ATOM 0 HG SER A 25 -10.660 4.702 -20.921 1.00 0.00 H new ATOM 168 N GLY A 26 -10.593 7.347 -17.458 1.00 0.00 N ATOM 169 CA GLY A 26 -11.349 8.631 -17.388 1.00 0.00 C ATOM 170 C GLY A 26 -10.374 9.809 -17.405 1.00 0.00 C ATOM 171 O GLY A 26 -10.677 10.871 -17.914 1.00 0.00 O ATOM 0 H GLY A 26 -10.856 6.650 -16.761 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.037 8.705 -18.230 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.952 8.659 -16.480 1.00 0.00 H new ATOM 172 N PHE A 27 -9.208 9.634 -16.850 1.00 0.00 N ATOM 173 CA PHE A 27 -8.215 10.745 -16.828 1.00 0.00 C ATOM 174 C PHE A 27 -6.877 10.243 -17.377 1.00 0.00 C ATOM 175 O PHE A 27 -6.259 10.888 -18.191 1.00 0.00 O ATOM 176 CB PHE A 27 -8.034 11.228 -15.381 1.00 0.00 C ATOM 177 CG PHE A 27 -7.171 10.249 -14.609 1.00 0.00 C ATOM 178 CD1 PHE A 27 -7.735 9.085 -14.058 1.00 0.00 C ATOM 179 CD2 PHE A 27 -5.801 10.502 -14.447 1.00 0.00 C ATOM 180 CE1 PHE A 27 -6.929 8.186 -13.352 1.00 0.00 C ATOM 181 CE2 PHE A 27 -5.002 9.602 -13.740 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.565 8.442 -13.193 1.00 0.00 C ATOM 0 H PHE A 27 -8.898 8.768 -16.409 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.569 11.570 -17.446 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.573 12.215 -15.374 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.006 11.327 -14.898 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.789 8.885 -14.180 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.364 11.394 -14.870 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.362 7.292 -12.929 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.948 9.800 -13.615 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.945 7.746 -12.648 1.00 0.00 H new ATOM 183 N THR A 28 -6.462 9.092 -16.905 1.00 0.00 N ATOM 184 CA THR A 28 -5.173 8.435 -17.311 1.00 0.00 C ATOM 185 C THR A 28 -4.485 7.967 -16.025 1.00 0.00 C ATOM 186 O THR A 28 -5.015 7.143 -15.312 1.00 0.00 O ATOM 187 CB THR A 28 -4.224 9.360 -18.096 1.00 0.00 C ATOM 188 OG1 THR A 28 -4.153 10.632 -17.469 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.709 9.507 -19.543 1.00 0.00 C ATOM 0 H THR A 28 -6.991 8.553 -16.220 1.00 0.00 H new ATOM 0 HA THR A 28 -5.406 7.612 -17.986 1.00 0.00 H new ATOM 0 HB THR A 28 -3.228 8.918 -18.104 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.812 11.234 -17.874 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.031 10.163 -20.089 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.730 8.528 -20.021 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.711 9.935 -19.549 1.00 0.00 H new ATOM 190 N PHE A 29 -3.314 8.472 -15.708 1.00 0.00 N ATOM 191 CA PHE A 29 -2.622 8.024 -14.453 1.00 0.00 C ATOM 192 C PHE A 29 -1.486 8.993 -14.130 1.00 0.00 C ATOM 193 O PHE A 29 -1.210 9.292 -12.985 1.00 0.00 O ATOM 194 CB PHE A 29 -2.020 6.630 -14.642 1.00 0.00 C ATOM 195 CG PHE A 29 -2.711 5.946 -15.783 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.400 6.306 -17.100 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.689 4.985 -15.527 1.00 0.00 C ATOM 198 CE1 PHE A 29 -3.068 5.692 -18.155 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.350 4.377 -16.581 1.00 0.00 C ATOM 200 CZ PHE A 29 -4.038 4.730 -17.893 1.00 0.00 C ATOM 0 H PHE A 29 -2.811 9.168 -16.258 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.353 8.001 -13.645 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.951 6.706 -14.841 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.133 6.045 -13.729 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.647 7.055 -17.296 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.930 4.716 -14.509 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.834 5.962 -19.174 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.106 3.631 -16.387 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.554 4.253 -18.713 1.00 0.00 H new ATOM 201 N SER A 30 -0.822 9.477 -15.141 1.00 0.00 N ATOM 202 CA SER A 30 0.306 10.417 -14.924 1.00 0.00 C ATOM 203 C SER A 30 -0.128 11.807 -15.372 1.00 0.00 C ATOM 204 O SER A 30 0.423 12.802 -14.945 1.00 0.00 O ATOM 205 CB SER A 30 1.515 9.965 -15.743 1.00 0.00 C ATOM 206 OG SER A 30 2.682 10.619 -15.260 1.00 0.00 O ATOM 0 H SER A 30 -1.017 9.258 -16.118 1.00 0.00 H new ATOM 0 HA SER A 30 0.580 10.435 -13.869 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.634 8.884 -15.671 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.363 10.199 -16.797 1.00 0.00 H new ATOM 0 HG SER A 30 3.459 10.330 -15.782 1.00 0.00 H new ATOM 207 N SER A 31 -1.123 11.883 -16.222 1.00 0.00 N ATOM 208 CA SER A 31 -1.605 13.218 -16.681 1.00 0.00 C ATOM 209 C SER A 31 -1.669 14.133 -15.464 1.00 0.00 C ATOM 210 O SER A 31 -1.225 15.265 -15.491 1.00 0.00 O ATOM 211 CB SER A 31 -2.996 13.080 -17.298 1.00 0.00 C ATOM 212 OG SER A 31 -2.886 12.435 -18.560 1.00 0.00 O ATOM 0 H SER A 31 -1.618 11.082 -16.614 1.00 0.00 H new ATOM 0 HA SER A 31 -0.932 13.630 -17.433 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.644 12.504 -16.637 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.453 14.062 -17.417 1.00 0.00 H new ATOM 0 HG SER A 31 -3.094 11.483 -18.460 1.00 0.00 H new ATOM 213 N TYR A 32 -2.187 13.628 -14.379 1.00 0.00 N ATOM 214 CA TYR A 32 -2.244 14.443 -13.133 1.00 0.00 C ATOM 215 C TYR A 32 -1.342 13.782 -12.094 1.00 0.00 C ATOM 216 O TYR A 32 -0.366 14.354 -11.647 1.00 0.00 O ATOM 217 CB TYR A 32 -3.676 14.493 -12.598 1.00 0.00 C ATOM 218 CG TYR A 32 -4.640 14.679 -13.742 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.844 13.639 -14.652 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.331 15.887 -13.892 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.741 13.804 -15.716 1.00 0.00 C ATOM 222 CE2 TYR A 32 -6.226 16.054 -14.955 1.00 0.00 C ATOM 223 CZ TYR A 32 -6.432 15.012 -15.867 1.00 0.00 C ATOM 224 OH TYR A 32 -7.315 15.177 -16.914 1.00 0.00 O ATOM 0 H TYR A 32 -2.573 12.687 -14.301 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.914 15.461 -13.342 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.906 13.572 -12.062 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.780 15.311 -11.886 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.310 12.707 -14.536 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.174 16.690 -13.187 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.899 13.000 -16.419 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.758 16.987 -15.072 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.710 16.073 -16.871 1.00 0.00 H new ATOM 225 N ALA A 33 -1.668 12.571 -11.726 1.00 0.00 N ATOM 226 CA ALA A 33 -0.857 11.820 -10.727 1.00 0.00 C ATOM 227 C ALA A 33 -1.762 10.802 -10.036 1.00 0.00 C ATOM 228 O ALA A 33 -2.940 10.717 -10.319 1.00 0.00 O ATOM 229 CB ALA A 33 -0.283 12.774 -9.682 1.00 0.00 C ATOM 0 H ALA A 33 -2.477 12.063 -12.083 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.032 11.319 -11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.307 12.210 -8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.352 13.511 -10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.098 13.283 -9.167 1.00 0.00 H new ATOM 230 N MET A 34 -1.230 10.036 -9.131 1.00 0.00 N ATOM 231 CA MET A 34 -2.070 9.037 -8.429 1.00 0.00 C ATOM 232 C MET A 34 -1.210 8.313 -7.407 1.00 0.00 C ATOM 233 O MET A 34 -0.117 8.735 -7.086 1.00 0.00 O ATOM 234 CB MET A 34 -2.629 8.027 -9.437 1.00 0.00 C ATOM 235 CG MET A 34 -1.479 7.401 -10.233 1.00 0.00 C ATOM 236 SD MET A 34 -0.757 6.031 -9.289 1.00 0.00 S ATOM 237 CE MET A 34 -2.084 4.831 -9.564 1.00 0.00 C ATOM 0 H MET A 34 -0.250 10.059 -8.848 1.00 0.00 H new ATOM 0 HA MET A 34 -2.902 9.537 -7.932 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.188 7.250 -8.916 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.326 8.522 -10.114 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.844 7.040 -11.195 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.718 8.152 -10.442 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.670 3.823 -9.558 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.827 4.923 -8.772 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.555 5.024 -10.528 1.00 0.00 H new ATOM 238 N SER A 35 -1.687 7.225 -6.900 1.00 0.00 N ATOM 239 CA SER A 35 -0.896 6.461 -5.909 1.00 0.00 C ATOM 240 C SER A 35 -1.639 5.189 -5.614 1.00 0.00 C ATOM 241 O SER A 35 -2.832 5.114 -5.832 1.00 0.00 O ATOM 242 CB SER A 35 -0.753 7.266 -4.629 1.00 0.00 C ATOM 243 OG SER A 35 -0.232 6.435 -3.601 1.00 0.00 O ATOM 0 H SER A 35 -2.597 6.826 -7.129 1.00 0.00 H new ATOM 0 HA SER A 35 0.098 6.249 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.091 8.116 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.721 7.668 -4.330 1.00 0.00 H new ATOM 0 HG SER A 35 -0.138 6.955 -2.776 1.00 0.00 H new ATOM 244 N TRP A 36 -0.993 4.160 -5.145 1.00 0.00 N ATOM 245 CA TRP A 36 -1.808 2.961 -4.929 1.00 0.00 C ATOM 246 C TRP A 36 -1.083 1.787 -4.259 1.00 0.00 C ATOM 247 O TRP A 36 0.147 1.736 -4.157 1.00 0.00 O ATOM 248 CB TRP A 36 -2.324 2.554 -6.304 1.00 0.00 C ATOM 249 CG TRP A 36 -1.343 1.726 -7.037 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.230 2.168 -7.679 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.402 0.296 -7.238 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.379 1.088 -8.271 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.306 -0.097 -8.019 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.308 -0.691 -6.806 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.116 -1.436 -8.367 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.110 -2.031 -7.145 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.017 -2.404 -7.926 1.00 0.00 C ATOM 0 H TRP A 36 -0.000 4.103 -4.917 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.602 3.208 -4.224 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.256 2.000 -6.193 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.552 3.447 -6.886 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.116 3.190 -7.717 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.231 1.148 -8.828 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.162 -0.410 -6.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.728 -1.721 -8.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.806 -2.781 -6.801 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.869 -3.441 -8.189 1.00 0.00 H new ATOM 258 N VAL A 37 -1.919 0.837 -3.844 1.00 0.00 N ATOM 259 CA VAL A 37 -1.509 -0.446 -3.185 1.00 0.00 C ATOM 260 C VAL A 37 -1.906 -0.466 -1.677 1.00 0.00 C ATOM 261 O VAL A 37 -2.880 0.143 -1.307 1.00 0.00 O ATOM 262 CB VAL A 37 -0.022 -0.715 -3.406 1.00 0.00 C ATOM 263 CG1 VAL A 37 0.232 -2.147 -3.035 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.312 -0.562 -4.881 1.00 0.00 C ATOM 0 H VAL A 37 -2.930 0.920 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.056 -1.264 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 37 0.576 -0.022 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.287 -2.379 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.034 -2.305 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.372 -2.799 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.374 -0.755 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.274 -1.274 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.076 0.452 -5.204 1.00 0.00 H new ATOM 265 N ARG A 38 -1.159 -1.174 -0.829 1.00 0.00 N ATOM 266 CA ARG A 38 -1.404 -1.275 0.654 1.00 0.00 C ATOM 267 C ARG A 38 -2.617 -2.070 1.131 1.00 0.00 C ATOM 268 O ARG A 38 -3.705 -1.562 1.323 1.00 0.00 O ATOM 269 CB ARG A 38 -1.316 0.095 1.357 1.00 0.00 C ATOM 270 CG ARG A 38 -2.510 0.985 1.041 1.00 0.00 C ATOM 271 CD ARG A 38 -2.057 2.054 0.041 1.00 0.00 C ATOM 272 NE ARG A 38 -3.250 2.681 -0.594 1.00 0.00 N ATOM 273 CZ ARG A 38 -3.548 3.923 -0.329 1.00 0.00 C ATOM 274 NH1 ARG A 38 -3.309 4.413 0.856 1.00 0.00 N ATOM 275 NH2 ARG A 38 -4.086 4.675 -1.250 1.00 0.00 N ATOM 0 H ARG A 38 -0.347 -1.711 -1.135 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.571 -1.905 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.253 -0.056 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.399 0.599 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.325 0.394 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.888 1.451 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.462 2.813 0.549 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.419 1.606 -0.721 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.832 2.141 -1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.889 3.825 1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.542 5.384 1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.273 4.291 -2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.319 5.646 -1.043 1.00 0.00 H new ATOM 276 N GLN A 39 -2.347 -3.329 1.433 1.00 0.00 N ATOM 277 CA GLN A 39 -3.348 -4.244 2.030 1.00 0.00 C ATOM 278 C GLN A 39 -2.803 -5.666 1.966 1.00 0.00 C ATOM 279 O GLN A 39 -1.908 -5.946 1.206 1.00 0.00 O ATOM 280 CB GLN A 39 -4.671 -4.142 1.292 1.00 0.00 C ATOM 281 CG GLN A 39 -5.815 -3.985 2.299 1.00 0.00 C ATOM 282 CD GLN A 39 -6.335 -2.547 2.263 1.00 0.00 C ATOM 283 OE1 GLN A 39 -6.044 -1.805 1.345 1.00 0.00 O ATOM 284 NE2 GLN A 39 -7.097 -2.118 3.231 1.00 0.00 N ATOM 0 H GLN A 39 -1.435 -3.760 1.278 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.528 -3.967 3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.654 -3.291 0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.829 -5.033 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.620 -4.680 2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.467 -4.232 3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.342 -2.740 4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.448 -1.161 3.217 1.00 0.00 H new ATOM 285 N ALA A 40 -3.308 -6.551 2.791 1.00 0.00 N ATOM 286 CA ALA A 40 -2.788 -7.953 2.809 1.00 0.00 C ATOM 287 C ALA A 40 -3.934 -8.938 3.076 1.00 0.00 C ATOM 288 O ALA A 40 -5.065 -8.535 3.259 1.00 0.00 O ATOM 289 CB ALA A 40 -1.744 -8.072 3.923 1.00 0.00 C ATOM 0 H ALA A 40 -4.060 -6.362 3.454 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.340 -8.189 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.355 -9.090 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.927 -7.376 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.206 -7.835 4.881 1.00 0.00 H new ATOM 290 N PRO A 41 -3.597 -10.208 3.105 1.00 0.00 N ATOM 291 CA PRO A 41 -4.573 -11.283 3.366 1.00 0.00 C ATOM 292 C PRO A 41 -4.943 -11.254 4.847 1.00 0.00 C ATOM 293 O PRO A 41 -4.404 -11.993 5.646 1.00 0.00 O ATOM 294 CB PRO A 41 -3.804 -12.563 3.008 1.00 0.00 C ATOM 295 CG PRO A 41 -2.307 -12.204 3.109 1.00 0.00 C ATOM 296 CD PRO A 41 -2.214 -10.687 2.891 1.00 0.00 C ATOM 0 HA PRO A 41 -5.501 -11.196 2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.057 -13.374 3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.057 -12.902 2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.905 -12.483 4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.726 -12.741 2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.519 -10.225 3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.860 -10.449 1.888 1.00 0.00 H new ATOM 297 N GLY A 42 -5.828 -10.373 5.229 1.00 0.00 N ATOM 298 CA GLY A 42 -6.185 -10.273 6.669 1.00 0.00 C ATOM 299 C GLY A 42 -4.899 -9.992 7.443 1.00 0.00 C ATOM 300 O GLY A 42 -4.815 -10.204 8.637 1.00 0.00 O ATOM 0 H GLY A 42 -6.314 -9.724 4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.911 -9.476 6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.646 -11.198 7.015 1.00 0.00 H new ATOM 301 N LYS A 43 -3.892 -9.518 6.755 1.00 0.00 N ATOM 302 CA LYS A 43 -2.598 -9.221 7.420 1.00 0.00 C ATOM 303 C LYS A 43 -2.239 -7.750 7.209 1.00 0.00 C ATOM 304 O LYS A 43 -1.143 -7.335 7.504 1.00 0.00 O ATOM 305 CB LYS A 43 -1.500 -10.104 6.810 1.00 0.00 C ATOM 306 CG LYS A 43 -0.613 -10.666 7.924 1.00 0.00 C ATOM 307 CD LYS A 43 -0.900 -12.159 8.103 1.00 0.00 C ATOM 308 CE LYS A 43 0.384 -12.959 7.877 1.00 0.00 C ATOM 309 NZ LYS A 43 0.085 -14.151 7.034 1.00 0.00 N ATOM 0 H LYS A 43 -3.916 -9.324 5.754 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.683 -9.424 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.949 -10.919 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.899 -9.523 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.438 -10.514 7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.802 -10.134 8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.287 -12.348 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.668 -12.479 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.133 -12.335 7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.803 -13.272 8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.958 -14.695 6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.616 -14.750 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.296 -13.841 6.117 1.00 0.00 H new ATOM 310 N GLU A 44 -3.166 -6.975 6.701 1.00 0.00 N ATOM 311 CA GLU A 44 -2.919 -5.513 6.448 1.00 0.00 C ATOM 312 C GLU A 44 -1.508 -5.308 5.867 1.00 0.00 C ATOM 313 O GLU A 44 -0.511 -5.479 6.536 1.00 0.00 O ATOM 314 CB GLU A 44 -3.105 -4.725 7.756 1.00 0.00 C ATOM 315 CG GLU A 44 -1.809 -4.693 8.573 1.00 0.00 C ATOM 316 CD GLU A 44 -2.068 -3.999 9.911 1.00 0.00 C ATOM 317 OE1 GLU A 44 -2.635 -4.633 10.786 1.00 0.00 O ATOM 318 OE2 GLU A 44 -1.697 -2.844 10.037 1.00 0.00 O ATOM 0 H GLU A 44 -4.100 -7.296 6.446 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.638 -5.141 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.420 -3.707 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.900 -5.180 8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.447 -5.707 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.031 -4.165 8.021 1.00 0.00 H new ATOM 319 N ARG A 45 -1.403 -4.968 4.611 1.00 0.00 N ATOM 320 CA ARG A 45 -0.042 -4.812 4.038 1.00 0.00 C ATOM 321 C ARG A 45 0.385 -3.349 3.922 1.00 0.00 C ATOM 322 O ARG A 45 0.320 -2.605 4.879 1.00 0.00 O ATOM 323 CB ARG A 45 0.060 -5.539 2.701 1.00 0.00 C ATOM 324 CG ARG A 45 1.472 -6.123 2.524 1.00 0.00 C ATOM 325 CD ARG A 45 2.536 -5.113 2.967 1.00 0.00 C ATOM 326 NE ARG A 45 3.848 -5.807 3.113 1.00 0.00 N ATOM 327 CZ ARG A 45 4.387 -6.414 2.092 1.00 0.00 C ATOM 328 NH1 ARG A 45 3.922 -6.209 0.890 1.00 0.00 N ATOM 329 NH2 ARG A 45 5.397 -7.221 2.273 1.00 0.00 N ATOM 0 H ARG A 45 -2.180 -4.796 3.973 1.00 0.00 H new ATOM 0 HA ARG A 45 0.659 -5.273 4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.681 -6.337 2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.162 -4.850 1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.568 -7.039 3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.631 -6.392 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.617 -4.309 2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.247 -4.655 3.913 1.00 0.00 H new ATOM 0 HE ARG A 45 4.325 -5.807 4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.137 -5.574 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.344 -6.684 0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.764 -7.376 3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.819 -7.696 1.475 1.00 0.00 H new ATOM 330 N GLU A 46 0.874 -2.932 2.785 1.00 0.00 N ATOM 331 CA GLU A 46 1.353 -1.539 2.675 1.00 0.00 C ATOM 332 C GLU A 46 1.457 -1.160 1.209 1.00 0.00 C ATOM 333 O GLU A 46 1.367 -1.991 0.326 1.00 0.00 O ATOM 334 CB GLU A 46 2.731 -1.442 3.322 1.00 0.00 C ATOM 335 CG GLU A 46 2.605 -0.810 4.709 1.00 0.00 C ATOM 336 CD GLU A 46 3.294 0.556 4.713 1.00 0.00 C ATOM 337 OE1 GLU A 46 4.334 0.674 4.087 1.00 0.00 O ATOM 338 OE2 GLU A 46 2.771 1.459 5.344 1.00 0.00 O ATOM 0 H GLU A 46 0.959 -3.495 1.939 1.00 0.00 H new ATOM 0 HA GLU A 46 0.659 -0.864 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.176 -2.434 3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.395 -0.844 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.554 -0.700 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.057 -1.459 5.458 1.00 0.00 H new ATOM 339 N ILE A 47 1.606 0.089 0.946 1.00 0.00 N ATOM 340 CA ILE A 47 1.672 0.546 -0.455 1.00 0.00 C ATOM 341 C ILE A 47 2.766 -0.186 -1.213 1.00 0.00 C ATOM 342 O ILE A 47 3.548 -0.935 -0.663 1.00 0.00 O ATOM 343 CB ILE A 47 2.005 2.035 -0.471 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.545 2.618 -1.815 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.520 2.204 -0.277 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.743 3.047 -2.693 1.00 0.00 C ATOM 0 H ILE A 47 1.686 0.826 1.647 1.00 0.00 H new ATOM 0 HA ILE A 47 0.710 0.348 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 47 1.495 2.565 0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.950 1.877 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.899 3.477 -1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.772 3.264 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.815 1.769 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.049 1.698 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.376 3.454 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.323 3.807 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.375 2.182 -2.893 1.00 0.00 H new ATOM 347 N VAL A 48 2.856 0.104 -2.470 1.00 0.00 N ATOM 348 CA VAL A 48 3.914 -0.463 -3.296 1.00 0.00 C ATOM 349 C VAL A 48 4.479 0.686 -4.117 1.00 0.00 C ATOM 350 O VAL A 48 5.671 0.837 -4.233 1.00 0.00 O ATOM 351 CB VAL A 48 3.364 -1.554 -4.198 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.443 -1.981 -5.174 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.970 -2.753 -3.339 1.00 0.00 C ATOM 0 H VAL A 48 2.218 0.729 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 48 4.689 -0.924 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 48 2.496 -1.183 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.055 -2.764 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.747 -1.126 -5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.303 -2.360 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.573 -3.543 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.846 -3.122 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.209 -2.451 -2.620 1.00 0.00 H new ATOM 354 N SER A 49 3.646 1.549 -4.651 1.00 0.00 N ATOM 355 CA SER A 49 4.233 2.688 -5.406 1.00 0.00 C ATOM 356 C SER A 49 3.177 3.705 -5.835 1.00 0.00 C ATOM 357 O SER A 49 1.997 3.415 -5.919 1.00 0.00 O ATOM 358 CB SER A 49 4.978 2.161 -6.631 1.00 0.00 C ATOM 359 OG SER A 49 4.714 0.775 -6.780 1.00 0.00 O ATOM 0 H SER A 49 2.628 1.515 -4.599 1.00 0.00 H new ATOM 0 HA SER A 49 4.925 3.203 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.662 2.701 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.049 2.329 -6.520 1.00 0.00 H new ATOM 0 HG SER A 49 5.558 0.293 -6.909 1.00 0.00 H new ATOM 360 N ALA A 50 3.613 4.912 -6.101 1.00 0.00 N ATOM 361 CA ALA A 50 2.657 5.983 -6.527 1.00 0.00 C ATOM 362 C ALA A 50 3.414 7.123 -7.230 1.00 0.00 C ATOM 363 O ALA A 50 4.628 7.143 -7.268 1.00 0.00 O ATOM 364 CB ALA A 50 1.913 6.527 -5.300 1.00 0.00 C ATOM 0 H ALA A 50 4.589 5.202 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 50 1.937 5.559 -7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.218 7.306 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.361 5.718 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.631 6.943 -4.594 1.00 0.00 H new ATOM 365 N VAL A 51 2.700 8.074 -7.791 1.00 0.00 N ATOM 366 CA VAL A 51 3.369 9.211 -8.493 1.00 0.00 C ATOM 367 C VAL A 51 2.583 10.495 -8.220 1.00 0.00 C ATOM 368 O VAL A 51 1.683 10.853 -8.950 1.00 0.00 O ATOM 369 CB VAL A 51 3.391 8.949 -10.002 1.00 0.00 C ATOM 370 CG1 VAL A 51 4.312 7.766 -10.308 1.00 0.00 C ATOM 371 CG2 VAL A 51 1.974 8.629 -10.486 1.00 0.00 C ATOM 0 H VAL A 51 1.681 8.108 -7.791 1.00 0.00 H new ATOM 0 HA VAL A 51 4.392 9.311 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 51 3.761 9.837 -10.515 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.325 7.583 -11.382 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.322 7.993 -9.967 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.946 6.878 -9.793 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.990 8.443 -11.560 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.604 7.743 -9.969 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.318 9.473 -10.274 1.00 0.00 H new ATOM 372 N SER A 52 2.905 11.182 -7.167 1.00 0.00 N ATOM 373 CA SER A 52 2.160 12.432 -6.841 1.00 0.00 C ATOM 374 C SER A 52 2.958 13.664 -7.275 1.00 0.00 C ATOM 375 O SER A 52 4.123 13.585 -7.602 1.00 0.00 O ATOM 376 CB SER A 52 1.921 12.491 -5.335 1.00 0.00 C ATOM 377 OG SER A 52 1.122 13.626 -5.028 1.00 0.00 O ATOM 0 H SER A 52 3.650 10.936 -6.515 1.00 0.00 H new ATOM 0 HA SER A 52 1.209 12.426 -7.374 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.424 11.581 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.873 12.549 -4.807 1.00 0.00 H new ATOM 0 HG SER A 52 1.098 13.756 -4.057 1.00 0.00 H new ATOM 378 N GLY A 53 2.327 14.807 -7.269 1.00 0.00 N ATOM 379 CA GLY A 53 3.023 16.069 -7.662 1.00 0.00 C ATOM 380 C GLY A 53 3.625 15.931 -9.059 1.00 0.00 C ATOM 381 O GLY A 53 4.816 15.767 -9.211 1.00 0.00 O ATOM 0 H GLY A 53 1.348 14.923 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.319 16.901 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.808 16.299 -6.942 1.00 0.00 H new ATOM 382 N SER A 54 2.815 15.999 -10.083 1.00 0.00 N ATOM 383 CA SER A 54 3.358 15.869 -11.465 1.00 0.00 C ATOM 384 C SER A 54 4.213 14.607 -11.544 1.00 0.00 C ATOM 385 O SER A 54 5.061 14.467 -12.403 1.00 0.00 O ATOM 386 CB SER A 54 4.219 17.089 -11.797 1.00 0.00 C ATOM 387 OG SER A 54 4.780 16.928 -13.095 1.00 0.00 O ATOM 0 H SER A 54 1.806 16.138 -10.022 1.00 0.00 H new ATOM 0 HA SER A 54 2.536 15.806 -12.178 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.616 17.996 -11.759 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.011 17.202 -11.057 1.00 0.00 H new ATOM 0 HG SER A 54 5.118 16.014 -13.194 1.00 0.00 H new ATOM 388 N GLY A 55 3.997 13.689 -10.645 1.00 0.00 N ATOM 389 CA GLY A 55 4.790 12.433 -10.649 1.00 0.00 C ATOM 390 C GLY A 55 6.089 12.635 -9.868 1.00 0.00 C ATOM 391 O GLY A 55 6.630 11.697 -9.316 1.00 0.00 O ATOM 0 H GLY A 55 3.300 13.757 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.210 11.625 -10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.014 12.137 -11.674 1.00 0.00 H new ATOM 392 N GLY A 56 6.593 13.849 -9.806 1.00 0.00 N ATOM 393 CA GLY A 56 7.853 14.105 -9.041 1.00 0.00 C ATOM 394 C GLY A 56 7.824 13.260 -7.772 1.00 0.00 C ATOM 395 O GLY A 56 8.691 12.443 -7.535 1.00 0.00 O ATOM 0 H GLY A 56 6.184 14.670 -10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.723 13.851 -9.647 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.937 15.163 -8.791 1.00 0.00 H new ATOM 396 N SER A 57 6.802 13.419 -6.976 1.00 0.00 N ATOM 397 CA SER A 57 6.687 12.587 -5.753 1.00 0.00 C ATOM 398 C SER A 57 6.535 11.139 -6.209 1.00 0.00 C ATOM 399 O SER A 57 5.893 10.864 -7.205 1.00 0.00 O ATOM 400 CB SER A 57 5.458 13.008 -4.948 1.00 0.00 C ATOM 401 OG SER A 57 5.822 14.039 -4.039 1.00 0.00 O ATOM 0 H SER A 57 6.046 14.088 -7.122 1.00 0.00 H new ATOM 0 HA SER A 57 7.565 12.707 -5.119 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.673 13.359 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.055 12.154 -4.404 1.00 0.00 H new ATOM 0 HG SER A 57 5.035 14.312 -3.522 1.00 0.00 H new ATOM 402 N THR A 58 7.122 10.212 -5.519 1.00 0.00 N ATOM 403 CA THR A 58 7.010 8.799 -5.958 1.00 0.00 C ATOM 404 C THR A 58 6.760 7.909 -4.753 1.00 0.00 C ATOM 405 O THR A 58 6.814 8.345 -3.620 1.00 0.00 O ATOM 406 CB THR A 58 8.314 8.386 -6.640 1.00 0.00 C ATOM 407 OG1 THR A 58 9.344 8.291 -5.667 1.00 0.00 O ATOM 408 CG2 THR A 58 8.694 9.434 -7.686 1.00 0.00 C ATOM 0 H THR A 58 7.672 10.368 -4.674 1.00 0.00 H new ATOM 0 HA THR A 58 6.180 8.695 -6.657 1.00 0.00 H new ATOM 0 HB THR A 58 8.183 7.419 -7.126 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.181 8.025 -6.102 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.624 9.141 -8.173 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.902 9.509 -8.431 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.828 10.401 -7.201 1.00 0.00 H new ATOM 409 N TYR A 59 6.484 6.663 -4.985 1.00 0.00 N ATOM 410 CA TYR A 59 6.229 5.747 -3.853 1.00 0.00 C ATOM 411 C TYR A 59 6.744 4.361 -4.199 1.00 0.00 C ATOM 412 O TYR A 59 6.702 3.938 -5.340 1.00 0.00 O ATOM 413 CB TYR A 59 4.742 5.709 -3.572 1.00 0.00 C ATOM 414 CG TYR A 59 4.492 6.385 -2.252 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.410 7.782 -2.177 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.353 5.613 -1.100 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.185 8.400 -0.940 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.130 6.226 0.135 1.00 0.00 C ATOM 419 CZ TYR A 59 4.045 7.621 0.217 1.00 0.00 C ATOM 420 OH TYR A 59 3.824 8.231 1.435 1.00 0.00 O ATOM 0 H TYR A 59 6.424 6.240 -5.911 1.00 0.00 H new ATOM 0 HA TYR A 59 6.748 6.098 -2.961 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.193 6.214 -4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.387 4.679 -3.544 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.520 8.380 -3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.418 4.537 -1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.119 9.476 -0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.023 5.625 1.026 1.00 0.00 H new ATOM 0 HH TYR A 59 3.749 7.548 2.134 1.00 0.00 H new ATOM 421 N TYR A 60 7.272 3.682 -3.216 1.00 0.00 N ATOM 422 CA TYR A 60 7.865 2.328 -3.420 1.00 0.00 C ATOM 423 C TYR A 60 7.648 1.482 -2.165 1.00 0.00 C ATOM 424 O TYR A 60 8.570 0.873 -1.663 1.00 0.00 O ATOM 425 CB TYR A 60 9.374 2.477 -3.594 1.00 0.00 C ATOM 426 CG TYR A 60 9.693 3.219 -4.861 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.352 4.566 -4.983 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.346 2.561 -5.902 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.661 5.260 -6.158 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.661 3.249 -7.075 1.00 0.00 C ATOM 431 CZ TYR A 60 10.318 4.601 -7.207 1.00 0.00 C ATOM 432 OH TYR A 60 10.627 5.283 -8.366 1.00 0.00 O ATOM 0 H TYR A 60 7.318 4.019 -2.254 1.00 0.00 H new ATOM 0 HA TYR A 60 7.402 1.862 -4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.793 3.009 -2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.841 1.492 -3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.850 5.072 -4.172 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.608 1.518 -5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.394 6.302 -6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.169 2.739 -7.880 1.00 0.00 H new ATOM 0 HH TYR A 60 11.082 4.679 -8.990 1.00 0.00 H new ATOM 433 N ALA A 61 6.466 1.442 -1.633 1.00 0.00 N ATOM 434 CA ALA A 61 6.269 0.638 -0.393 1.00 0.00 C ATOM 435 C ALA A 61 7.347 1.021 0.624 1.00 0.00 C ATOM 436 O ALA A 61 8.061 1.988 0.451 1.00 0.00 O ATOM 437 CB ALA A 61 6.390 -0.845 -0.721 1.00 0.00 C ATOM 0 H ALA A 61 5.638 1.919 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 61 5.280 0.837 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.246 -1.431 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.631 -1.119 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.380 -1.048 -1.130 1.00 0.00 H new ATOM 438 N ASP A 62 7.476 0.265 1.679 1.00 0.00 N ATOM 439 CA ASP A 62 8.513 0.580 2.705 1.00 0.00 C ATOM 440 C ASP A 62 9.599 -0.492 2.662 1.00 0.00 C ATOM 441 O ASP A 62 10.770 -0.197 2.527 1.00 0.00 O ATOM 442 CB ASP A 62 7.868 0.600 4.093 1.00 0.00 C ATOM 443 CG ASP A 62 8.822 1.253 5.092 1.00 0.00 C ATOM 444 OD1 ASP A 62 10.019 1.199 4.861 1.00 0.00 O ATOM 445 OD2 ASP A 62 8.341 1.796 6.073 1.00 0.00 O ATOM 0 H ASP A 62 6.908 -0.559 1.876 1.00 0.00 H new ATOM 0 HA ASP A 62 8.952 1.556 2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.927 1.150 4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.632 -0.416 4.410 1.00 0.00 H new ATOM 446 N SER A 63 9.221 -1.735 2.764 1.00 0.00 N ATOM 447 CA SER A 63 10.237 -2.820 2.715 1.00 0.00 C ATOM 448 C SER A 63 10.933 -2.772 1.360 1.00 0.00 C ATOM 449 O SER A 63 12.047 -3.232 1.202 1.00 0.00 O ATOM 450 CB SER A 63 9.554 -4.175 2.868 1.00 0.00 C ATOM 451 OG SER A 63 8.523 -4.077 3.842 1.00 0.00 O ATOM 0 H SER A 63 8.256 -2.045 2.879 1.00 0.00 H new ATOM 0 HA SER A 63 10.957 -2.684 3.522 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.138 -4.495 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.281 -4.930 3.167 1.00 0.00 H new ATOM 0 HG SER A 63 8.082 -4.947 3.940 1.00 0.00 H new ATOM 452 N VAL A 64 10.277 -2.225 0.374 1.00 0.00 N ATOM 453 CA VAL A 64 10.894 -2.158 -0.976 1.00 0.00 C ATOM 454 C VAL A 64 11.092 -0.697 -1.386 1.00 0.00 C ATOM 455 O VAL A 64 11.399 -0.404 -2.522 1.00 0.00 O ATOM 456 CB VAL A 64 10.000 -2.855 -2.001 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.877 -3.660 -2.957 1.00 0.00 C ATOM 458 CG2 VAL A 64 9.020 -3.801 -1.298 1.00 0.00 C ATOM 0 H VAL A 64 9.342 -1.823 0.447 1.00 0.00 H new ATOM 0 HA VAL A 64 11.860 -2.661 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 64 9.432 -2.104 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.248 -4.161 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.569 -2.990 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.441 -4.404 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.390 -4.290 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.577 -4.555 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.395 -3.232 -0.610 1.00 0.00 H new ATOM 459 N LYS A 65 10.924 0.217 -0.467 1.00 0.00 N ATOM 460 CA LYS A 65 11.109 1.660 -0.783 1.00 0.00 C ATOM 461 C LYS A 65 12.291 1.842 -1.738 1.00 0.00 C ATOM 462 O LYS A 65 12.281 2.703 -2.596 1.00 0.00 O ATOM 463 CB LYS A 65 11.377 2.408 0.522 1.00 0.00 C ATOM 464 CG LYS A 65 12.332 1.593 1.397 1.00 0.00 C ATOM 465 CD LYS A 65 13.714 2.243 1.407 1.00 0.00 C ATOM 466 CE LYS A 65 14.717 1.246 1.978 1.00 0.00 C ATOM 467 NZ LYS A 65 15.976 1.954 2.345 1.00 0.00 N ATOM 0 H LYS A 65 10.664 0.021 0.499 1.00 0.00 H new ATOM 0 HA LYS A 65 10.213 2.052 -1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.808 3.386 0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.440 2.581 1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.943 1.530 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.403 0.573 1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.003 2.533 0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.700 3.152 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.296 0.754 2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.927 0.467 1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.657 1.271 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.381 2.404 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.770 2.682 3.059 1.00 0.00 H new ATOM 468 N GLY A 66 13.304 1.035 -1.601 1.00 0.00 N ATOM 469 CA GLY A 66 14.481 1.157 -2.509 1.00 0.00 C ATOM 470 C GLY A 66 14.569 -0.097 -3.379 1.00 0.00 C ATOM 471 O GLY A 66 15.576 -0.777 -3.407 1.00 0.00 O ATOM 0 H GLY A 66 13.370 0.296 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.383 2.044 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.395 1.277 -1.927 1.00 0.00 H new ATOM 472 N ARG A 67 13.516 -0.415 -4.082 1.00 0.00 N ATOM 473 CA ARG A 67 13.533 -1.634 -4.940 1.00 0.00 C ATOM 474 C ARG A 67 12.141 -1.873 -5.535 1.00 0.00 C ATOM 475 O ARG A 67 11.758 -2.995 -5.794 1.00 0.00 O ATOM 476 CB ARG A 67 13.919 -2.836 -4.077 1.00 0.00 C ATOM 477 CG ARG A 67 15.315 -3.317 -4.466 1.00 0.00 C ATOM 478 CD ARG A 67 15.390 -4.837 -4.319 1.00 0.00 C ATOM 479 NE ARG A 67 16.353 -5.182 -3.236 1.00 0.00 N ATOM 480 CZ ARG A 67 16.056 -6.113 -2.371 1.00 0.00 C ATOM 481 NH1 ARG A 67 15.392 -5.812 -1.287 1.00 0.00 N ATOM 482 NH2 ARG A 67 16.426 -7.345 -2.588 1.00 0.00 N ATOM 0 H ARG A 67 12.645 0.116 -4.099 1.00 0.00 H new ATOM 0 HA ARG A 67 14.251 -1.500 -5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.899 -2.561 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.196 -3.640 -4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.537 -3.029 -5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.064 -2.842 -3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.404 -5.240 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.706 -5.289 -5.259 1.00 0.00 H new ATOM 0 HE ARG A 67 17.244 -4.691 -3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.105 -4.848 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.161 -6.541 -0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.947 -7.580 -3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.194 -8.074 -1.913 1.00 0.00 H new ATOM 483 N PHE A 68 11.386 -0.831 -5.754 1.00 0.00 N ATOM 484 CA PHE A 68 10.016 -0.995 -6.321 1.00 0.00 C ATOM 485 C PHE A 68 9.874 -0.042 -7.505 1.00 0.00 C ATOM 486 O PHE A 68 10.759 0.743 -7.771 1.00 0.00 O ATOM 487 CB PHE A 68 8.993 -0.612 -5.251 1.00 0.00 C ATOM 488 CG PHE A 68 8.366 -1.831 -4.608 1.00 0.00 C ATOM 489 CD1 PHE A 68 8.880 -3.118 -4.816 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.245 -1.659 -3.795 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.265 -4.220 -4.208 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.635 -2.758 -3.191 1.00 0.00 C ATOM 493 CZ PHE A 68 7.142 -4.035 -3.396 1.00 0.00 C ATOM 0 H PHE A 68 11.661 0.133 -5.564 1.00 0.00 H new ATOM 0 HA PHE A 68 9.853 -2.025 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.478 -0.006 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.213 0.004 -5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.748 -3.260 -5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.847 -0.668 -3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.659 -5.213 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.768 -2.616 -2.563 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.668 -4.885 -2.928 1.00 0.00 H new ATOM 494 N THR A 69 8.787 -0.090 -8.229 1.00 0.00 N ATOM 495 CA THR A 69 8.665 0.850 -9.383 1.00 0.00 C ATOM 496 C THR A 69 7.198 1.135 -9.737 1.00 0.00 C ATOM 497 O THR A 69 6.402 0.236 -9.925 1.00 0.00 O ATOM 498 CB THR A 69 9.356 0.235 -10.594 1.00 0.00 C ATOM 499 OG1 THR A 69 9.426 1.193 -11.640 1.00 0.00 O ATOM 500 CG2 THR A 69 8.557 -0.977 -11.056 1.00 0.00 C ATOM 0 H THR A 69 7.999 -0.720 -8.079 1.00 0.00 H new ATOM 0 HA THR A 69 9.133 1.794 -9.102 1.00 0.00 H new ATOM 0 HB THR A 69 10.367 -0.073 -10.327 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.872 0.797 -12.417 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.043 -1.425 -11.923 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.507 -1.709 -10.250 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.548 -0.666 -11.327 1.00 0.00 H new ATOM 501 N ILE A 70 6.862 2.396 -9.870 1.00 0.00 N ATOM 502 CA ILE A 70 5.473 2.790 -10.260 1.00 0.00 C ATOM 503 C ILE A 70 5.394 2.792 -11.787 1.00 0.00 C ATOM 504 O ILE A 70 5.398 3.834 -12.414 1.00 0.00 O ATOM 505 CB ILE A 70 5.178 4.190 -9.732 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.802 4.658 -10.228 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.251 5.139 -10.243 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.785 3.520 -10.099 1.00 0.00 C ATOM 0 H ILE A 70 7.500 3.178 -9.723 1.00 0.00 H new ATOM 0 HA ILE A 70 4.746 2.093 -9.844 1.00 0.00 H new ATOM 0 HB ILE A 70 5.175 4.178 -8.642 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.471 5.520 -9.649 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.871 4.980 -11.267 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.053 6.145 -9.873 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.228 4.808 -9.890 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.242 5.145 -11.333 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.812 3.860 -10.453 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.112 2.670 -10.698 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.706 3.219 -9.054 1.00 0.00 H new ATOM 509 N SER A 71 5.333 1.637 -12.398 1.00 0.00 N ATOM 510 CA SER A 71 5.267 1.589 -13.883 1.00 0.00 C ATOM 511 C SER A 71 3.945 2.197 -14.326 1.00 0.00 C ATOM 512 O SER A 71 2.958 2.125 -13.622 1.00 0.00 O ATOM 513 CB SER A 71 5.362 0.137 -14.357 1.00 0.00 C ATOM 514 OG SER A 71 6.609 -0.057 -15.011 1.00 0.00 O ATOM 0 H SER A 71 5.326 0.730 -11.932 1.00 0.00 H new ATOM 0 HA SER A 71 6.096 2.150 -14.315 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.272 -0.542 -13.509 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.541 -0.091 -15.037 1.00 0.00 H new ATOM 0 HG SER A 71 6.677 -0.986 -15.316 1.00 0.00 H new ATOM 515 N ARG A 72 3.904 2.810 -15.474 1.00 0.00 N ATOM 516 CA ARG A 72 2.623 3.421 -15.907 1.00 0.00 C ATOM 517 C ARG A 72 2.389 3.198 -17.407 1.00 0.00 C ATOM 518 O ARG A 72 3.313 3.102 -18.189 1.00 0.00 O ATOM 519 CB ARG A 72 2.621 4.920 -15.541 1.00 0.00 C ATOM 520 CG ARG A 72 2.657 5.809 -16.792 1.00 0.00 C ATOM 521 CD ARG A 72 1.235 5.977 -17.336 1.00 0.00 C ATOM 522 NE ARG A 72 0.907 7.430 -17.426 1.00 0.00 N ATOM 523 CZ ARG A 72 1.305 8.128 -18.455 1.00 0.00 C ATOM 524 NH1 ARG A 72 2.532 8.018 -18.887 1.00 0.00 N ATOM 525 NH2 ARG A 72 0.476 8.942 -19.052 1.00 0.00 N ATOM 0 H ARG A 72 4.687 2.913 -16.120 1.00 0.00 H new ATOM 0 HA ARG A 72 1.797 2.939 -15.385 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.731 5.151 -14.956 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.483 5.142 -14.911 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.083 6.782 -16.548 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.299 5.362 -17.551 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.153 5.513 -18.319 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.522 5.472 -16.684 1.00 0.00 H new ATOM 0 HE ARG A 72 0.371 7.878 -16.683 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.182 7.386 -18.420 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.840 8.564 -19.691 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.482 9.032 -18.714 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.787 9.487 -19.856 1.00 0.00 H new ATOM 526 N ASP A 73 1.143 3.120 -17.804 1.00 0.00 N ATOM 527 CA ASP A 73 0.824 2.911 -19.241 1.00 0.00 C ATOM 528 C ASP A 73 -0.276 3.901 -19.650 1.00 0.00 C ATOM 529 O ASP A 73 -1.462 3.664 -19.459 1.00 0.00 O ATOM 530 CB ASP A 73 0.365 1.466 -19.468 1.00 0.00 C ATOM 531 CG ASP A 73 1.373 0.504 -18.834 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.766 0.744 -17.706 1.00 0.00 O ATOM 533 OD2 ASP A 73 1.735 -0.458 -19.490 1.00 0.00 O ATOM 0 H ASP A 73 0.333 3.193 -17.188 1.00 0.00 H new ATOM 0 HA ASP A 73 1.710 3.085 -19.852 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.622 1.314 -19.032 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.276 1.265 -20.536 1.00 0.00 H new ATOM 534 N ASN A 74 0.136 5.026 -20.184 1.00 0.00 N ATOM 535 CA ASN A 74 -0.805 6.103 -20.608 1.00 0.00 C ATOM 536 C ASN A 74 -1.885 5.575 -21.561 1.00 0.00 C ATOM 537 O ASN A 74 -3.047 5.505 -21.217 1.00 0.00 O ATOM 538 CB ASN A 74 -0.003 7.177 -21.336 1.00 0.00 C ATOM 539 CG ASN A 74 -0.796 8.485 -21.370 1.00 0.00 C ATOM 540 OD1 ASN A 74 -1.882 8.565 -20.831 1.00 0.00 O ATOM 541 ND2 ASN A 74 -0.294 9.522 -21.984 1.00 0.00 N ATOM 0 H ASN A 74 1.119 5.245 -20.347 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.299 6.498 -19.720 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.952 7.333 -20.834 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.221 6.851 -22.352 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.813 10.399 -22.011 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.618 9.455 -22.436 1.00 0.00 H new ATOM 542 N SER A 75 -1.514 5.233 -22.770 1.00 0.00 N ATOM 543 CA SER A 75 -2.524 4.747 -23.760 1.00 0.00 C ATOM 544 C SER A 75 -2.851 3.270 -23.522 1.00 0.00 C ATOM 545 O SER A 75 -3.078 2.519 -24.450 1.00 0.00 O ATOM 546 CB SER A 75 -1.964 4.919 -25.172 1.00 0.00 C ATOM 547 OG SER A 75 -1.351 6.197 -25.280 1.00 0.00 O ATOM 0 H SER A 75 -0.555 5.269 -23.114 1.00 0.00 H new ATOM 0 HA SER A 75 -3.438 5.329 -23.643 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.238 4.135 -25.386 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.763 4.822 -25.907 1.00 0.00 H new ATOM 0 HG SER A 75 -0.989 6.311 -26.184 1.00 0.00 H new ATOM 548 N LYS A 76 -2.887 2.846 -22.291 1.00 0.00 N ATOM 549 CA LYS A 76 -3.209 1.425 -22.005 1.00 0.00 C ATOM 550 C LYS A 76 -4.307 1.363 -20.940 1.00 0.00 C ATOM 551 O LYS A 76 -4.758 0.300 -20.561 1.00 0.00 O ATOM 552 CB LYS A 76 -1.955 0.722 -21.496 1.00 0.00 C ATOM 553 CG LYS A 76 -0.845 0.840 -22.548 1.00 0.00 C ATOM 554 CD LYS A 76 -0.260 2.261 -22.545 1.00 0.00 C ATOM 555 CE LYS A 76 1.267 2.179 -22.540 1.00 0.00 C ATOM 556 NZ LYS A 76 1.752 1.922 -23.926 1.00 0.00 N ATOM 0 H LYS A 76 -2.707 3.424 -21.470 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.558 0.931 -22.912 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.630 1.168 -20.556 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.169 -0.327 -21.293 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.058 0.115 -22.340 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.243 0.605 -23.535 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.603 2.810 -23.422 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.609 2.809 -21.670 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.691 3.109 -22.161 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.598 1.382 -21.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.790 1.866 -23.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.357 1.024 -24.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.448 2.697 -24.550 1.00 0.00 H new ATOM 557 N ASN A 77 -4.745 2.500 -20.463 1.00 0.00 N ATOM 558 CA ASN A 77 -5.810 2.529 -19.440 1.00 0.00 C ATOM 559 C ASN A 77 -5.278 2.022 -18.103 1.00 0.00 C ATOM 560 O ASN A 77 -6.031 1.532 -17.288 1.00 0.00 O ATOM 561 CB ASN A 77 -6.991 1.665 -19.891 1.00 0.00 C ATOM 562 CG ASN A 77 -7.407 2.069 -21.306 1.00 0.00 C ATOM 563 OD1 ASN A 77 -7.361 3.231 -21.659 1.00 0.00 O ATOM 564 ND2 ASN A 77 -7.813 1.150 -22.139 1.00 0.00 N ATOM 0 H ASN A 77 -4.400 3.416 -20.748 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.145 3.559 -19.315 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.714 0.611 -19.869 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.829 1.789 -19.205 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.092 1.407 -23.086 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.852 0.175 -21.843 1.00 0.00 H new ATOM 565 N THR A 78 -4.001 2.149 -17.830 1.00 0.00 N ATOM 566 CA THR A 78 -3.532 1.675 -16.500 1.00 0.00 C ATOM 567 C THR A 78 -2.033 1.880 -16.321 1.00 0.00 C ATOM 568 O THR A 78 -1.293 2.060 -17.260 1.00 0.00 O ATOM 569 CB THR A 78 -3.847 0.189 -16.381 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.132 -0.363 -15.284 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.435 -0.512 -17.675 1.00 0.00 C ATOM 0 H THR A 78 -3.291 2.545 -18.446 1.00 0.00 H new ATOM 0 HA THR A 78 -4.042 2.252 -15.729 1.00 0.00 H new ATOM 0 HB THR A 78 -4.915 0.049 -16.214 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.705 -0.998 -14.806 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.657 -1.576 -17.599 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.988 -0.085 -18.512 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.366 -0.375 -17.839 1.00 0.00 H new ATOM 572 N LEU A 79 -1.591 1.813 -15.097 1.00 0.00 N ATOM 573 CA LEU A 79 -0.140 1.955 -14.800 1.00 0.00 C ATOM 574 C LEU A 79 0.297 0.681 -14.082 1.00 0.00 C ATOM 575 O LEU A 79 -0.432 0.145 -13.288 1.00 0.00 O ATOM 576 CB LEU A 79 0.111 3.186 -13.924 1.00 0.00 C ATOM 577 CG LEU A 79 -0.840 3.168 -12.738 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.316 4.104 -11.647 1.00 0.00 C ATOM 579 CD2 LEU A 79 -2.223 3.629 -13.198 1.00 0.00 C ATOM 0 H LEU A 79 -2.182 1.664 -14.279 1.00 0.00 H new ATOM 0 HA LEU A 79 0.432 2.093 -15.718 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.144 3.193 -13.575 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.035 4.096 -14.507 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.909 2.157 -12.336 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.999 4.090 -10.797 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.671 3.771 -11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.246 5.118 -12.040 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.910 3.618 -12.352 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.155 4.641 -13.598 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.591 2.957 -13.973 1.00 0.00 H new ATOM 580 N TYR A 80 1.448 0.156 -14.392 1.00 0.00 N ATOM 581 CA TYR A 80 1.859 -1.135 -13.773 1.00 0.00 C ATOM 582 C TYR A 80 2.807 -0.936 -12.603 1.00 0.00 C ATOM 583 O TYR A 80 3.357 0.125 -12.390 1.00 0.00 O ATOM 584 CB TYR A 80 2.535 -1.992 -14.845 1.00 0.00 C ATOM 585 CG TYR A 80 1.543 -2.351 -15.937 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.736 -1.364 -16.538 1.00 0.00 C ATOM 587 CD2 TYR A 80 1.443 -3.680 -16.361 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.162 -1.715 -17.551 1.00 0.00 C ATOM 589 CE2 TYR A 80 0.542 -4.029 -17.375 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.259 -3.047 -17.970 1.00 0.00 C ATOM 591 OH TYR A 80 -1.146 -3.393 -18.970 1.00 0.00 O ATOM 0 H TYR A 80 2.120 0.562 -15.044 1.00 0.00 H new ATOM 0 HA TYR A 80 0.969 -1.628 -13.383 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.378 -1.451 -15.274 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.935 -2.901 -14.395 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.811 -0.336 -16.216 1.00 0.00 H new ATOM 0 HD2 TYR A 80 2.062 -4.439 -15.906 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.781 -0.958 -18.010 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.465 -5.057 -17.698 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.087 -4.356 -19.141 1.00 0.00 H new ATOM 592 N LEU A 81 2.986 -1.978 -11.837 1.00 0.00 N ATOM 593 CA LEU A 81 3.884 -1.905 -10.659 1.00 0.00 C ATOM 594 C LEU A 81 4.813 -3.102 -10.643 1.00 0.00 C ATOM 595 O LEU A 81 4.376 -4.234 -10.521 1.00 0.00 O ATOM 596 CB LEU A 81 3.067 -1.998 -9.369 1.00 0.00 C ATOM 597 CG LEU A 81 2.629 -0.625 -8.873 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.379 -0.702 -7.360 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.716 0.402 -9.111 1.00 0.00 C ATOM 0 H LEU A 81 2.542 -2.884 -11.982 1.00 0.00 H new ATOM 0 HA LEU A 81 4.434 -0.966 -10.721 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.188 -2.620 -9.540 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.660 -2.490 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 81 1.727 -0.333 -9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.065 0.275 -6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.598 -1.434 -7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.297 -1.002 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.383 1.375 -8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.619 0.106 -8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.930 0.465 -10.178 1.00 0.00 H new ATOM 600 N GLN A 82 6.083 -2.871 -10.679 1.00 0.00 N ATOM 601 CA GLN A 82 7.016 -4.007 -10.568 1.00 0.00 C ATOM 602 C GLN A 82 7.465 -4.005 -9.105 1.00 0.00 C ATOM 603 O GLN A 82 8.187 -3.117 -8.681 1.00 0.00 O ATOM 604 CB GLN A 82 8.214 -3.823 -11.502 1.00 0.00 C ATOM 605 CG GLN A 82 7.762 -3.108 -12.780 1.00 0.00 C ATOM 606 CD GLN A 82 6.878 -4.045 -13.606 1.00 0.00 C ATOM 607 OE1 GLN A 82 5.737 -3.735 -13.883 1.00 0.00 O ATOM 608 NE2 GLN A 82 7.362 -5.187 -14.014 1.00 0.00 N ATOM 0 H GLN A 82 6.514 -1.952 -10.780 1.00 0.00 H new ATOM 0 HA GLN A 82 6.548 -4.949 -10.853 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.991 -3.243 -11.004 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.648 -4.792 -11.749 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.212 -2.202 -12.527 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.630 -2.801 -13.364 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.320 -5.447 -13.781 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.782 -5.819 -14.566 1.00 0.00 H new ATOM 609 N MET A 83 6.992 -4.925 -8.296 1.00 0.00 N ATOM 610 CA MET A 83 7.377 -4.860 -6.850 1.00 0.00 C ATOM 611 C MET A 83 7.767 -6.242 -6.297 1.00 0.00 C ATOM 612 O MET A 83 6.931 -7.084 -6.042 1.00 0.00 O ATOM 613 CB MET A 83 6.203 -4.282 -6.029 1.00 0.00 C ATOM 614 CG MET A 83 4.899 -4.317 -6.825 1.00 0.00 C ATOM 615 SD MET A 83 3.563 -4.758 -5.692 1.00 0.00 S ATOM 616 CE MET A 83 2.270 -3.724 -6.417 1.00 0.00 C ATOM 0 H MET A 83 6.377 -5.694 -8.562 1.00 0.00 H new ATOM 0 HA MET A 83 8.249 -4.212 -6.765 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.085 -4.853 -5.108 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.428 -3.255 -5.741 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.706 -3.347 -7.282 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.967 -5.043 -7.635 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.062 -2.884 -5.754 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.604 -3.349 -7.385 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.364 -4.315 -6.550 1.00 0.00 H new ATOM 617 N ASN A 84 9.040 -6.469 -6.087 1.00 0.00 N ATOM 618 CA ASN A 84 9.499 -7.781 -5.534 1.00 0.00 C ATOM 619 C ASN A 84 9.773 -7.644 -4.028 1.00 0.00 C ATOM 620 O ASN A 84 9.110 -6.904 -3.330 1.00 0.00 O ATOM 621 CB ASN A 84 10.789 -8.201 -6.248 1.00 0.00 C ATOM 622 CG ASN A 84 11.955 -7.344 -5.747 1.00 0.00 C ATOM 623 OD1 ASN A 84 11.866 -6.133 -5.721 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.053 -7.926 -5.347 1.00 0.00 N ATOM 0 H ASN A 84 9.785 -5.798 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 84 8.725 -8.532 -5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.993 -9.255 -6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.675 -8.084 -7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.836 -7.364 -5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.128 -8.943 -5.369 1.00 0.00 H new ATOM 625 N SER A 85 10.753 -8.348 -3.525 1.00 0.00 N ATOM 626 CA SER A 85 11.085 -8.249 -2.071 1.00 0.00 C ATOM 627 C SER A 85 10.096 -9.071 -1.229 1.00 0.00 C ATOM 628 O SER A 85 10.300 -9.266 -0.047 1.00 0.00 O ATOM 629 CB SER A 85 11.037 -6.780 -1.643 1.00 0.00 C ATOM 630 OG SER A 85 9.913 -6.563 -0.798 1.00 0.00 O ATOM 0 H SER A 85 11.340 -8.989 -4.059 1.00 0.00 H new ATOM 0 HA SER A 85 12.086 -8.649 -1.909 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.955 -6.514 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.973 -6.137 -2.521 1.00 0.00 H new ATOM 0 HG SER A 85 9.095 -6.554 -1.338 1.00 0.00 H new ATOM 631 N LEU A 86 9.036 -9.559 -1.815 1.00 0.00 N ATOM 632 CA LEU A 86 8.061 -10.370 -1.022 1.00 0.00 C ATOM 633 C LEU A 86 8.799 -11.592 -0.450 1.00 0.00 C ATOM 634 O LEU A 86 10.010 -11.577 -0.348 1.00 0.00 O ATOM 635 CB LEU A 86 6.905 -10.810 -1.921 1.00 0.00 C ATOM 636 CG LEU A 86 6.019 -9.602 -2.261 1.00 0.00 C ATOM 637 CD1 LEU A 86 5.678 -8.840 -0.978 1.00 0.00 C ATOM 638 CD2 LEU A 86 6.756 -8.666 -3.228 1.00 0.00 C ATOM 0 H LEU A 86 8.802 -9.434 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 86 7.649 -9.778 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.294 -11.256 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.314 -11.576 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 86 5.102 -9.955 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.049 -7.983 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.144 -9.500 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.597 -8.494 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.120 -7.812 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.677 -8.315 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.994 -9.205 -4.145 1.00 0.00 H new ATOM 639 N ARG A 87 8.119 -12.650 -0.054 1.00 0.00 N ATOM 640 CA ARG A 87 8.891 -13.801 0.512 1.00 0.00 C ATOM 641 C ARG A 87 8.145 -15.141 0.393 1.00 0.00 C ATOM 642 O ARG A 87 8.278 -15.998 1.243 1.00 0.00 O ATOM 643 CB ARG A 87 9.193 -13.522 1.983 1.00 0.00 C ATOM 644 CG ARG A 87 7.949 -13.786 2.834 1.00 0.00 C ATOM 645 CD ARG A 87 8.166 -13.215 4.241 1.00 0.00 C ATOM 646 NE ARG A 87 8.332 -14.330 5.216 1.00 0.00 N ATOM 647 CZ ARG A 87 8.649 -14.071 6.457 1.00 0.00 C ATOM 648 NH1 ARG A 87 9.388 -13.033 6.740 1.00 0.00 N ATOM 649 NH2 ARG A 87 8.231 -14.851 7.416 1.00 0.00 N ATOM 0 H ARG A 87 7.106 -12.762 -0.096 1.00 0.00 H new ATOM 0 HA ARG A 87 9.809 -13.893 -0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.015 -14.154 2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.515 -12.488 2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.075 -13.326 2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.753 -14.857 2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.048 -12.575 4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.318 -12.593 4.526 1.00 0.00 H new ATOM 0 HE ARG A 87 8.198 -15.295 4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.719 -12.423 5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.635 -12.832 7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.656 -15.665 7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.480 -14.647 8.384 1.00 0.00 H new ATOM 650 N ALA A 88 7.394 -15.352 -0.650 1.00 0.00 N ATOM 651 CA ALA A 88 6.680 -16.665 -0.797 1.00 0.00 C ATOM 652 C ALA A 88 6.083 -17.083 0.538 1.00 0.00 C ATOM 653 O ALA A 88 6.051 -18.251 0.873 1.00 0.00 O ATOM 654 CB ALA A 88 7.673 -17.738 -1.226 1.00 0.00 C ATOM 0 H ALA A 88 7.240 -14.683 -1.405 1.00 0.00 H new ATOM 0 HA ALA A 88 5.892 -16.553 -1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.155 -18.691 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.120 -17.459 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.455 -17.832 -0.472 1.00 0.00 H new ATOM 655 N GLU A 89 5.630 -16.152 1.319 1.00 0.00 N ATOM 656 CA GLU A 89 5.067 -16.524 2.635 1.00 0.00 C ATOM 657 C GLU A 89 4.237 -15.370 3.200 1.00 0.00 C ATOM 658 O GLU A 89 4.067 -15.246 4.397 1.00 0.00 O ATOM 659 CB GLU A 89 6.227 -16.847 3.571 1.00 0.00 C ATOM 660 CG GLU A 89 6.066 -18.267 4.105 1.00 0.00 C ATOM 661 CD GLU A 89 6.365 -18.285 5.604 1.00 0.00 C ATOM 662 OE1 GLU A 89 7.437 -17.840 5.978 1.00 0.00 O ATOM 663 OE2 GLU A 89 5.516 -18.740 6.354 1.00 0.00 O ATOM 0 H GLU A 89 5.625 -15.155 1.104 1.00 0.00 H new ATOM 0 HA GLU A 89 4.414 -17.391 2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.174 -16.751 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.251 -16.136 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.052 -18.623 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.741 -18.943 3.581 1.00 0.00 H new ATOM 664 N ASP A 90 3.711 -14.529 2.352 1.00 0.00 N ATOM 665 CA ASP A 90 2.886 -13.396 2.849 1.00 0.00 C ATOM 666 C ASP A 90 2.221 -12.707 1.664 1.00 0.00 C ATOM 667 O ASP A 90 2.439 -11.538 1.414 1.00 0.00 O ATOM 668 CB ASP A 90 3.770 -12.392 3.594 1.00 0.00 C ATOM 669 CG ASP A 90 3.106 -12.008 4.917 1.00 0.00 C ATOM 670 OD1 ASP A 90 1.894 -11.878 4.933 1.00 0.00 O ATOM 671 OD2 ASP A 90 3.822 -11.851 5.892 1.00 0.00 O ATOM 0 H ASP A 90 3.818 -14.579 1.339 1.00 0.00 H new ATOM 0 HA ASP A 90 2.126 -13.774 3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.752 -12.825 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.925 -11.504 2.982 1.00 0.00 H new ATOM 672 N THR A 91 1.402 -13.422 0.935 1.00 0.00 N ATOM 673 CA THR A 91 0.710 -12.807 -0.231 1.00 0.00 C ATOM 674 C THR A 91 0.222 -11.422 0.184 1.00 0.00 C ATOM 675 O THR A 91 -0.006 -11.169 1.349 1.00 0.00 O ATOM 676 CB THR A 91 -0.475 -13.688 -0.638 1.00 0.00 C ATOM 677 OG1 THR A 91 0.009 -14.825 -1.339 1.00 0.00 O ATOM 678 CG2 THR A 91 -1.427 -12.904 -1.541 1.00 0.00 C ATOM 0 H THR A 91 1.185 -14.405 1.099 1.00 0.00 H new ATOM 0 HA THR A 91 1.387 -12.720 -1.081 1.00 0.00 H new ATOM 0 HB THR A 91 -1.012 -14.003 0.257 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.745 -15.394 -1.601 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.266 -13.540 -1.824 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.799 -12.030 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.896 -12.583 -2.437 1.00 0.00 H new ATOM 679 N ALA A 92 0.091 -10.510 -0.735 1.00 0.00 N ATOM 680 CA ALA A 92 -0.351 -9.146 -0.331 1.00 0.00 C ATOM 681 C ALA A 92 -1.555 -8.697 -1.155 1.00 0.00 C ATOM 682 O ALA A 92 -1.731 -9.088 -2.285 1.00 0.00 O ATOM 683 CB ALA A 92 0.800 -8.162 -0.543 1.00 0.00 C ATOM 0 H ALA A 92 0.267 -10.643 -1.731 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.640 -9.170 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.482 -7.162 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.654 -8.465 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.086 -8.157 -1.595 1.00 0.00 H new ATOM 684 N VAL A 93 -2.365 -7.849 -0.584 1.00 0.00 N ATOM 685 CA VAL A 93 -3.557 -7.317 -1.292 1.00 0.00 C ATOM 686 C VAL A 93 -3.351 -5.814 -1.485 1.00 0.00 C ATOM 687 O VAL A 93 -2.950 -5.108 -0.587 1.00 0.00 O ATOM 688 CB VAL A 93 -4.817 -7.572 -0.465 1.00 0.00 C ATOM 689 CG1 VAL A 93 -6.033 -6.992 -1.190 1.00 0.00 C ATOM 690 CG2 VAL A 93 -5.007 -9.081 -0.288 1.00 0.00 C ATOM 0 H VAL A 93 -2.245 -7.496 0.366 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.679 -7.812 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.714 -7.095 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.930 -7.175 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.899 -5.919 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.137 -7.469 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.905 -9.268 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.110 -9.552 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.142 -9.499 0.226 1.00 0.00 H new ATOM 691 N TYR A 94 -3.581 -5.323 -2.656 1.00 0.00 N ATOM 692 CA TYR A 94 -3.345 -3.878 -2.914 1.00 0.00 C ATOM 693 C TYR A 94 -4.650 -3.160 -3.263 1.00 0.00 C ATOM 694 O TYR A 94 -5.608 -3.759 -3.702 1.00 0.00 O ATOM 695 CB TYR A 94 -2.388 -3.778 -4.092 1.00 0.00 C ATOM 696 CG TYR A 94 -1.105 -4.498 -3.772 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.702 -4.680 -2.440 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.308 -4.966 -4.811 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.501 -5.325 -2.158 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.891 -5.614 -4.531 1.00 0.00 C ATOM 701 CZ TYR A 94 1.302 -5.794 -3.204 1.00 0.00 C ATOM 702 OH TYR A 94 2.492 -6.439 -2.930 1.00 0.00 O ATOM 0 H TYR A 94 -3.924 -5.857 -3.455 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.933 -3.408 -2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.846 -4.211 -4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.182 -2.731 -4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.324 -4.320 -1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.620 -4.826 -5.836 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.814 -5.462 -1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.507 -5.979 -5.339 1.00 0.00 H new ATOM 0 HH TYR A 94 3.163 -6.186 -3.598 1.00 0.00 H new ATOM 703 N TYR A 95 -4.683 -1.867 -3.085 1.00 0.00 N ATOM 704 CA TYR A 95 -5.914 -1.096 -3.419 1.00 0.00 C ATOM 705 C TYR A 95 -5.508 0.203 -4.097 1.00 0.00 C ATOM 706 O TYR A 95 -4.819 1.017 -3.521 1.00 0.00 O ATOM 707 CB TYR A 95 -6.674 -0.779 -2.145 1.00 0.00 C ATOM 708 CG TYR A 95 -7.305 -2.034 -1.621 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.523 -2.965 -0.930 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.670 -2.268 -1.827 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.114 -4.140 -0.443 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.258 -3.440 -1.339 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.480 -4.375 -0.647 1.00 0.00 C ATOM 714 OH TYR A 95 -9.059 -5.532 -0.167 1.00 0.00 O ATOM 0 H TYR A 95 -3.909 -1.311 -2.722 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.550 -1.682 -4.083 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.999 -0.359 -1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.439 -0.028 -2.341 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.471 -2.780 -0.772 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.268 -1.545 -2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.516 -4.864 0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.311 -3.623 -1.496 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.013 -5.538 -0.393 1.00 0.00 H new ATOM 715 N CYS A 96 -5.899 0.404 -5.324 1.00 0.00 N ATOM 716 CA CYS A 96 -5.473 1.643 -6.017 1.00 0.00 C ATOM 717 C CYS A 96 -6.117 2.892 -5.420 1.00 0.00 C ATOM 718 O CYS A 96 -7.008 2.814 -4.596 1.00 0.00 O ATOM 719 CB CYS A 96 -5.764 1.559 -7.508 1.00 0.00 C ATOM 720 SG CYS A 96 -4.568 2.607 -8.375 1.00 0.00 S ATOM 0 H CYS A 96 -6.487 -0.228 -5.868 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.396 1.730 -5.872 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -5.687 0.528 -7.853 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.781 1.890 -7.716 1.00 0.00 H new ATOM 721 N ALA A 97 -5.638 4.055 -5.809 1.00 0.00 N ATOM 722 CA ALA A 97 -6.201 5.311 -5.227 1.00 0.00 C ATOM 723 C ALA A 97 -5.575 6.566 -5.854 1.00 0.00 C ATOM 724 O ALA A 97 -4.499 6.539 -6.405 1.00 0.00 O ATOM 725 CB ALA A 97 -5.868 5.325 -3.740 1.00 0.00 C ATOM 0 H ALA A 97 -4.893 4.184 -6.494 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.274 5.326 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.267 6.232 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.312 4.453 -3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.786 5.299 -3.609 1.00 0.00 H new ATOM 726 N ARG A 98 -6.242 7.684 -5.717 1.00 0.00 N ATOM 727 CA ARG A 98 -5.683 8.971 -6.238 1.00 0.00 C ATOM 728 C ARG A 98 -5.134 9.750 -5.039 1.00 0.00 C ATOM 729 O ARG A 98 -5.284 9.325 -3.910 1.00 0.00 O ATOM 730 CB ARG A 98 -6.785 9.797 -6.899 1.00 0.00 C ATOM 731 CG ARG A 98 -6.417 10.081 -8.358 1.00 0.00 C ATOM 732 CD ARG A 98 -5.352 11.182 -8.413 1.00 0.00 C ATOM 733 NE ARG A 98 -5.207 11.706 -9.809 1.00 0.00 N ATOM 734 CZ ARG A 98 -6.117 11.461 -10.718 1.00 0.00 C ATOM 735 NH1 ARG A 98 -6.365 10.231 -11.078 1.00 0.00 N ATOM 736 NH2 ARG A 98 -6.772 12.447 -11.266 1.00 0.00 N ATOM 0 H ARG A 98 -7.153 7.762 -5.265 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.905 8.771 -6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.732 9.260 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.922 10.734 -6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.042 9.174 -8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.303 10.389 -8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.626 11.995 -7.740 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.397 10.789 -8.065 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.388 12.262 -10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.850 9.461 -10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.074 10.040 -11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.575 13.408 -10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.481 12.257 -11.974 1.00 0.00 H new ATOM 737 N LEU A 99 -4.503 10.877 -5.243 1.00 0.00 N ATOM 738 CA LEU A 99 -3.977 11.617 -4.057 1.00 0.00 C ATOM 739 C LEU A 99 -3.342 12.959 -4.446 1.00 0.00 C ATOM 740 O LEU A 99 -2.548 13.506 -3.708 1.00 0.00 O ATOM 741 CB LEU A 99 -2.939 10.738 -3.341 1.00 0.00 C ATOM 742 CG LEU A 99 -1.641 10.608 -4.162 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.929 10.635 -5.670 1.00 0.00 C ATOM 744 CD2 LEU A 99 -0.695 11.754 -3.801 1.00 0.00 C ATOM 0 H LEU A 99 -4.332 11.308 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.815 11.836 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.711 11.166 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.359 9.748 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.179 9.651 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.993 10.541 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.587 9.806 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.411 11.577 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.224 11.664 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.174 12.706 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.459 11.710 -2.738 1.00 0.00 H new ATOM 745 N LYS A 100 -3.677 13.511 -5.578 1.00 0.00 N ATOM 746 CA LYS A 100 -3.061 14.817 -5.952 1.00 0.00 C ATOM 747 C LYS A 100 -3.895 15.975 -5.385 1.00 0.00 C ATOM 748 O LYS A 100 -3.357 16.934 -4.872 1.00 0.00 O ATOM 749 CB LYS A 100 -2.960 14.935 -7.476 1.00 0.00 C ATOM 750 CG LYS A 100 -4.211 14.347 -8.131 1.00 0.00 C ATOM 751 CD LYS A 100 -4.415 14.989 -9.507 1.00 0.00 C ATOM 752 CE LYS A 100 -5.217 16.289 -9.365 1.00 0.00 C ATOM 753 NZ LYS A 100 -4.472 17.250 -8.503 1.00 0.00 N ATOM 0 H LYS A 100 -4.339 13.124 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.058 14.867 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.848 15.981 -7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.073 14.411 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.108 13.267 -8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.083 14.526 -7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.449 15.196 -9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.941 14.298 -10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.393 16.728 -10.347 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.194 16.079 -8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.900 18.194 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.516 16.935 -7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.479 17.292 -8.808 1.00 0.00 H new ATOM 754 N LYS A 101 -5.199 15.890 -5.459 1.00 0.00 N ATOM 755 CA LYS A 101 -6.058 16.985 -4.910 1.00 0.00 C ATOM 756 C LYS A 101 -7.525 16.685 -5.236 1.00 0.00 C ATOM 757 O LYS A 101 -8.067 15.695 -4.786 1.00 0.00 O ATOM 758 CB LYS A 101 -5.647 18.333 -5.518 1.00 0.00 C ATOM 759 CG LYS A 101 -6.467 19.457 -4.873 1.00 0.00 C ATOM 760 CD LYS A 101 -5.599 20.220 -3.868 1.00 0.00 C ATOM 761 CE LYS A 101 -6.482 21.158 -3.041 1.00 0.00 C ATOM 762 NZ LYS A 101 -6.583 22.477 -3.726 1.00 0.00 N ATOM 0 H LYS A 101 -5.707 15.110 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.930 17.040 -3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.583 18.507 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.809 18.322 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.835 20.138 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.340 19.041 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.081 19.519 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.834 20.792 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.474 20.724 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.061 21.285 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.183 23.115 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.634 22.891 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.003 22.347 -4.669 1.00 0.00 H new ATOM 763 N TYR A 102 -8.183 17.506 -6.022 1.00 0.00 N ATOM 764 CA TYR A 102 -9.600 17.204 -6.354 1.00 0.00 C ATOM 765 C TYR A 102 -9.660 15.751 -6.801 1.00 0.00 C ATOM 766 O TYR A 102 -10.664 15.079 -6.671 1.00 0.00 O ATOM 767 CB TYR A 102 -10.082 18.116 -7.487 1.00 0.00 C ATOM 768 CG TYR A 102 -9.316 17.811 -8.756 1.00 0.00 C ATOM 769 CD1 TYR A 102 -9.558 16.620 -9.458 1.00 0.00 C ATOM 770 CD2 TYR A 102 -8.364 18.722 -9.232 1.00 0.00 C ATOM 771 CE1 TYR A 102 -8.848 16.346 -10.633 1.00 0.00 C ATOM 772 CE2 TYR A 102 -7.656 18.445 -10.406 1.00 0.00 C ATOM 773 CZ TYR A 102 -7.898 17.258 -11.106 1.00 0.00 C ATOM 774 OH TYR A 102 -7.199 16.986 -12.264 1.00 0.00 O ATOM 0 H TYR A 102 -7.803 18.356 -6.438 1.00 0.00 H new ATOM 0 HA TYR A 102 -10.241 17.371 -5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.150 17.971 -7.653 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.941 19.161 -7.209 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -10.291 15.916 -9.092 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.177 19.638 -8.692 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.034 15.430 -11.175 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.922 19.148 -10.772 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.540 16.282 -12.090 1.00 0.00 H new ATOM 775 N ALA A 103 -8.566 15.264 -7.312 1.00 0.00 N ATOM 776 CA ALA A 103 -8.505 13.855 -7.761 1.00 0.00 C ATOM 777 C ALA A 103 -8.111 12.986 -6.572 1.00 0.00 C ATOM 778 O ALA A 103 -6.945 12.771 -6.315 1.00 0.00 O ATOM 779 CB ALA A 103 -7.440 13.724 -8.845 1.00 0.00 C ATOM 0 H ALA A 103 -7.703 15.792 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.472 13.542 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.389 12.688 -9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.697 14.367 -9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.472 14.023 -8.442 1.00 0.00 H new ATOM 780 N PHE A 104 -9.065 12.490 -5.842 1.00 0.00 N ATOM 781 CA PHE A 104 -8.729 11.636 -4.674 1.00 0.00 C ATOM 782 C PHE A 104 -10.012 11.130 -4.023 1.00 0.00 C ATOM 783 O PHE A 104 -10.751 11.887 -3.427 1.00 0.00 O ATOM 784 CB PHE A 104 -7.915 12.434 -3.654 1.00 0.00 C ATOM 785 CG PHE A 104 -7.252 11.484 -2.674 1.00 0.00 C ATOM 786 CD1 PHE A 104 -7.502 10.104 -2.744 1.00 0.00 C ATOM 787 CD2 PHE A 104 -6.384 11.985 -1.697 1.00 0.00 C ATOM 788 CE1 PHE A 104 -6.885 9.234 -1.842 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.767 11.110 -0.795 1.00 0.00 C ATOM 790 CZ PHE A 104 -6.020 9.735 -0.869 1.00 0.00 C ATOM 0 H PHE A 104 -10.061 12.638 -6.003 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.135 10.788 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.159 13.031 -4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.563 13.129 -3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.172 9.715 -3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.190 13.046 -1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.078 8.173 -1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.096 11.496 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.545 9.061 -0.172 1.00 0.00 H new ATOM 791 N ASP A 105 -10.266 9.851 -4.143 1.00 0.00 N ATOM 792 CA ASP A 105 -11.493 9.227 -3.557 1.00 0.00 C ATOM 793 C ASP A 105 -11.964 8.123 -4.503 1.00 0.00 C ATOM 794 O ASP A 105 -12.740 7.262 -4.137 1.00 0.00 O ATOM 795 CB ASP A 105 -12.613 10.263 -3.398 1.00 0.00 C ATOM 796 CG ASP A 105 -13.943 9.552 -3.137 1.00 0.00 C ATOM 797 OD1 ASP A 105 -14.183 9.187 -1.998 1.00 0.00 O ATOM 798 OD2 ASP A 105 -14.696 9.384 -4.081 1.00 0.00 O ATOM 0 H ASP A 105 -9.658 9.196 -4.636 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.256 8.825 -2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.383 10.938 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.687 10.873 -4.298 1.00 0.00 H new ATOM 799 N TYR A 106 -11.494 8.144 -5.721 1.00 0.00 N ATOM 800 CA TYR A 106 -11.905 7.100 -6.697 1.00 0.00 C ATOM 801 C TYR A 106 -11.170 5.798 -6.376 1.00 0.00 C ATOM 802 O TYR A 106 -10.864 5.515 -5.236 1.00 0.00 O ATOM 803 CB TYR A 106 -11.555 7.549 -8.123 1.00 0.00 C ATOM 804 CG TYR A 106 -11.559 9.059 -8.206 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.771 9.759 -8.248 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.345 9.756 -8.242 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.769 11.157 -8.326 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.344 11.153 -8.319 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.555 11.855 -8.361 1.00 0.00 C ATOM 810 OH TYR A 106 -11.554 13.233 -8.437 1.00 0.00 O ATOM 0 H TYR A 106 -10.842 8.841 -6.081 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.982 6.944 -6.629 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.575 7.164 -8.404 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.274 7.136 -8.830 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.707 9.221 -8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.410 9.216 -8.210 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.704 11.697 -8.359 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.408 11.691 -8.346 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.277 13.608 -7.575 1.00 0.00 H new ATOM 811 N TRP A 107 -10.889 5.007 -7.373 1.00 0.00 N ATOM 812 CA TRP A 107 -10.183 3.716 -7.136 1.00 0.00 C ATOM 813 C TRP A 107 -10.955 2.900 -6.094 1.00 0.00 C ATOM 814 O TRP A 107 -11.808 3.414 -5.399 1.00 0.00 O ATOM 815 CB TRP A 107 -8.765 3.983 -6.643 1.00 0.00 C ATOM 816 CG TRP A 107 -8.141 5.052 -7.480 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.235 6.370 -7.226 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.347 4.932 -8.700 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.527 7.067 -8.180 1.00 0.00 N ATOM 820 CE2 TRP A 107 -6.962 6.230 -9.111 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.918 3.843 -9.476 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.180 6.437 -10.252 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.130 4.045 -10.623 1.00 0.00 C ATOM 824 CH2 TRP A 107 -5.760 5.340 -11.010 1.00 0.00 C ATOM 0 H TRP A 107 -11.119 5.200 -8.348 1.00 0.00 H new ATOM 0 HA TRP A 107 -10.130 3.154 -8.069 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.784 4.289 -5.597 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.171 3.070 -6.697 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.779 6.811 -6.404 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.434 8.083 -8.193 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.196 2.840 -9.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -5.902 7.438 -10.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.808 3.197 -11.209 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.153 5.490 -11.890 1.00 0.00 H new ATOM 825 N GLY A 108 -10.673 1.632 -5.980 1.00 0.00 N ATOM 826 CA GLY A 108 -11.402 0.798 -4.983 1.00 0.00 C ATOM 827 C GLY A 108 -11.786 -0.546 -5.607 1.00 0.00 C ATOM 828 O GLY A 108 -12.426 -0.605 -6.638 1.00 0.00 O ATOM 0 H GLY A 108 -9.972 1.138 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.776 0.635 -4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.297 1.320 -4.644 1.00 0.00 H new ATOM 829 N GLN A 109 -11.401 -1.624 -4.984 1.00 0.00 N ATOM 830 CA GLN A 109 -11.739 -2.971 -5.526 1.00 0.00 C ATOM 831 C GLN A 109 -10.858 -4.015 -4.840 1.00 0.00 C ATOM 832 O GLN A 109 -11.320 -5.064 -4.438 1.00 0.00 O ATOM 833 CB GLN A 109 -11.490 -2.998 -7.035 1.00 0.00 C ATOM 834 CG GLN A 109 -12.809 -3.253 -7.765 1.00 0.00 C ATOM 835 CD GLN A 109 -13.264 -4.691 -7.512 1.00 0.00 C ATOM 836 OE1 GLN A 109 -13.128 -5.200 -6.416 1.00 0.00 O ATOM 837 NE2 GLN A 109 -13.802 -5.373 -8.486 1.00 0.00 N ATOM 0 H GLN A 109 -10.863 -1.631 -4.117 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.789 -3.192 -5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.059 -2.051 -7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.769 -3.777 -7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -13.570 -2.554 -7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.684 -3.083 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -13.916 -4.946 -9.405 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -14.108 -6.333 -8.328 1.00 0.00 H new ATOM 838 N GLY A 110 -9.594 -3.728 -4.690 1.00 0.00 N ATOM 839 CA GLY A 110 -8.683 -4.692 -4.014 1.00 0.00 C ATOM 840 C GLY A 110 -8.032 -5.621 -5.041 1.00 0.00 C ATOM 841 O GLY A 110 -8.642 -6.024 -6.011 1.00 0.00 O ATOM 0 H GLY A 110 -9.153 -2.865 -5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.913 -4.150 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.241 -5.280 -3.285 1.00 0.00 H new ATOM 842 N THR A 111 -6.798 -5.977 -4.815 1.00 0.00 N ATOM 843 CA THR A 111 -6.086 -6.891 -5.737 1.00 0.00 C ATOM 844 C THR A 111 -5.025 -7.596 -4.902 1.00 0.00 C ATOM 845 O THR A 111 -5.216 -7.788 -3.719 1.00 0.00 O ATOM 846 CB THR A 111 -5.442 -6.092 -6.869 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.981 -6.983 -7.876 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.270 -5.291 -6.315 1.00 0.00 C ATOM 0 H THR A 111 -6.248 -5.665 -4.015 1.00 0.00 H new ATOM 0 HA THR A 111 -6.764 -7.612 -6.194 1.00 0.00 H new ATOM 0 HB THR A 111 -6.175 -5.411 -7.301 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.569 -6.470 -8.603 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.807 -4.719 -7.119 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.628 -4.609 -5.544 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.535 -5.971 -5.885 1.00 0.00 H new ATOM 849 N LEU A 112 -3.911 -7.986 -5.460 1.00 0.00 N ATOM 850 CA LEU A 112 -2.913 -8.671 -4.597 1.00 0.00 C ATOM 851 C LEU A 112 -1.677 -9.115 -5.386 1.00 0.00 C ATOM 852 O LEU A 112 -1.427 -8.699 -6.497 1.00 0.00 O ATOM 853 CB LEU A 112 -3.570 -9.932 -4.048 1.00 0.00 C ATOM 854 CG LEU A 112 -3.751 -10.883 -5.221 1.00 0.00 C ATOM 855 CD1 LEU A 112 -2.677 -11.970 -5.156 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.144 -11.513 -5.166 1.00 0.00 C ATOM 0 H LEU A 112 -3.656 -7.865 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.600 -7.976 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.949 -10.386 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.530 -9.698 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.652 -10.335 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.802 -12.655 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.690 -11.510 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.773 -12.521 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.269 -12.193 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.257 -12.066 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.900 -10.729 -5.217 1.00 0.00 H new ATOM 857 N VAL A 113 -0.939 -10.006 -4.783 1.00 0.00 N ATOM 858 CA VAL A 113 0.277 -10.590 -5.405 1.00 0.00 C ATOM 859 C VAL A 113 0.456 -11.989 -4.810 1.00 0.00 C ATOM 860 O VAL A 113 0.356 -12.166 -3.608 1.00 0.00 O ATOM 861 CB VAL A 113 1.490 -9.734 -5.062 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.169 -8.269 -5.324 1.00 0.00 C ATOM 863 CG2 VAL A 113 1.829 -9.907 -3.586 1.00 0.00 C ATOM 0 H VAL A 113 -1.140 -10.364 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 113 0.178 -10.633 -6.490 1.00 0.00 H new ATOM 0 HB VAL A 113 2.335 -10.043 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.037 -7.657 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.916 -8.134 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.324 -7.965 -4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.697 -9.296 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.979 -9.595 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.054 -10.954 -3.385 1.00 0.00 H new ATOM 864 N THR A 114 0.700 -12.983 -5.621 1.00 0.00 N ATOM 865 CA THR A 114 0.854 -14.360 -5.067 1.00 0.00 C ATOM 866 C THR A 114 2.317 -14.792 -5.115 1.00 0.00 C ATOM 867 O THR A 114 2.802 -15.269 -6.120 1.00 0.00 O ATOM 868 CB THR A 114 0.013 -15.336 -5.893 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.100 -14.647 -6.443 1.00 0.00 O ATOM 870 CG2 THR A 114 -0.477 -16.474 -4.998 1.00 0.00 C ATOM 0 H THR A 114 0.799 -12.904 -6.633 1.00 0.00 H new ATOM 0 HA THR A 114 0.518 -14.362 -4.030 1.00 0.00 H new ATOM 0 HB THR A 114 0.619 -15.749 -6.699 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.640 -15.269 -6.974 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.076 -17.168 -5.587 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.380 -17.000 -4.577 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.085 -16.066 -4.190 1.00 0.00 H new ATOM 871 N VAL A 115 3.025 -14.648 -4.031 1.00 0.00 N ATOM 872 CA VAL A 115 4.451 -15.070 -4.024 1.00 0.00 C ATOM 873 C VAL A 115 4.521 -16.589 -4.186 1.00 0.00 C ATOM 874 O VAL A 115 4.531 -17.328 -3.221 1.00 0.00 O ATOM 875 CB VAL A 115 5.103 -14.669 -2.707 1.00 0.00 C ATOM 876 CG1 VAL A 115 5.323 -13.160 -2.682 1.00 0.00 C ATOM 877 CG2 VAL A 115 4.197 -15.069 -1.542 1.00 0.00 C ATOM 0 H VAL A 115 2.680 -14.258 -3.154 1.00 0.00 H new ATOM 0 HA VAL A 115 4.979 -14.584 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 115 6.062 -15.178 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 115 5.790 -12.876 -1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.973 -12.873 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.364 -12.651 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.666 -14.781 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.236 -14.564 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.042 -16.148 -1.555 1.00 0.00 H new