USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.399 K(o=0.4,f=-2.4!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.301 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0832) USER MOD Set 3.2: A 12 THR OG1 : rot 170:sc= -0.0612 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.0512 (180deg=-0.144) USER MOD Single : A 1 MET N :NH3+ 166:sc= 2.53 (180deg=2.37) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.881) USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.0975 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 1.6 (180deg=1.57) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 1.02 (180deg=0.619) USER MOD Single : A 31 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.32) USER MOD Single : A 33 LYS NZ :NH3+ 151:sc= 1.29 (180deg=1.21) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 41 GLN : amide:sc= 0.169 K(o=0.17,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -76:sc= 1.44 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.103 USER MOD Single : A 60 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0106) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.443 K(o=0.44,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.471 -7.303 -4.865 1.00 9.67 N ATOM 2 CA MET A 1 11.515 -7.713 -3.440 1.00 10.38 C ATOM 3 C MET A 1 10.104 -8.006 -2.951 1.00 9.62 C ATOM 4 O MET A 1 9.091 -7.383 -3.334 1.00 9.62 O ATOM 5 CB MET A 1 12.229 -6.549 -2.677 1.00 13.77 C ATOM 6 CG MET A 1 11.471 -5.215 -2.607 1.00 16.29 C ATOM 7 SD MET A 1 12.166 -4.175 -1.345 1.00 17.17 S ATOM 8 CE MET A 1 10.917 -2.942 -1.815 1.00 16.11 C ATOM 0 H1 MET A 1 12.382 -6.879 -5.133 1.00 9.67 H new ATOM 0 H2 MET A 1 11.288 -8.136 -5.460 1.00 9.67 H new ATOM 0 H3 MET A 1 10.712 -6.606 -5.002 1.00 9.67 H new ATOM 0 HA MET A 1 12.072 -8.635 -3.271 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.432 -6.881 -1.659 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.194 -6.370 -3.152 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.520 -4.710 -3.572 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.417 -5.398 -2.397 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.128 -2.000 -1.309 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.945 -2.789 -2.894 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.928 -3.297 -1.524 1.00 16.11 H new ATOM 20 N GLN A 2 9.997 -8.965 -2.025 1.00 9.27 N ATOM 21 CA GLN A 2 8.752 -9.233 -1.305 1.00 9.07 C ATOM 22 C GLN A 2 8.288 -8.130 -0.361 1.00 8.72 C ATOM 23 O GLN A 2 9.094 -7.568 0.376 1.00 8.22 O ATOM 24 CB GLN A 2 8.845 -10.479 -0.443 1.00 14.46 C ATOM 25 CG GLN A 2 7.499 -11.175 -0.049 1.00 17.01 C ATOM 26 CD GLN A 2 7.648 -12.657 0.121 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.915 -13.345 1.122 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.539 -13.355 -1.047 1.00 19.49 N ATOM 0 H GLN A 2 10.769 -9.574 -1.756 1.00 9.27 H new ATOM 0 HA GLN A 2 8.038 -9.334 -2.122 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.462 -11.208 -0.968 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.372 -10.217 0.475 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.128 -10.741 0.880 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.751 -10.974 -0.816 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.322 -12.866 -1.915 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.675 -14.366 -1.052 1.00 19.49 H new ATOM 37 N ILE A 3 6.964 -7.723 -0.355 1.00 5.87 N ATOM 38 CA ILE A 3 6.367 -6.971 0.728 1.00 5.07 C ATOM 39 C ILE A 3 5.043 -7.587 1.174 1.00 4.01 C ATOM 40 O ILE A 3 4.352 -8.280 0.438 1.00 4.61 O ATOM 41 CB ILE A 3 6.148 -5.484 0.438 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.246 -5.254 -0.788 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.533 -4.793 0.308 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.714 -3.895 -0.975 1.00 10.83 C ATOM 0 H ILE A 3 6.316 -7.926 -1.116 1.00 5.87 H new ATOM 0 HA ILE A 3 7.106 -7.031 1.527 1.00 5.07 H new ATOM 0 HB ILE A 3 5.608 -5.030 1.269 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.811 -5.523 -1.680 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.404 -5.943 -0.724 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.392 -3.732 0.101 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.087 -4.911 1.239 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.093 -5.251 -0.508 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.096 -3.867 -1.872 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.111 -3.618 -0.110 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.540 -3.192 -1.082 1.00 10.83 H new ATOM 56 N PHE A 4 4.698 -7.277 2.440 1.00 4.55 N ATOM 57 CA PHE A 4 3.461 -7.751 3.057 1.00 4.68 C ATOM 58 C PHE A 4 2.428 -6.609 3.257 1.00 5.30 C ATOM 59 O PHE A 4 2.760 -5.459 3.573 1.00 5.58 O ATOM 60 CB PHE A 4 3.582 -8.480 4.419 1.00 4.83 C ATOM 61 CG PHE A 4 4.520 -9.637 4.165 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.246 -10.710 3.259 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.791 -9.645 4.759 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.074 -11.873 3.184 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.699 -10.704 4.551 1.00 10.61 C ATOM 66 CZ PHE A 4 6.301 -11.784 3.777 1.00 8.90 C ATOM 0 H PHE A 4 5.270 -6.695 3.052 1.00 4.55 H new ATOM 0 HA PHE A 4 3.136 -8.489 2.324 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.975 -7.815 5.188 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.610 -8.830 4.767 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.385 -10.639 2.610 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.081 -8.819 5.392 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.747 -12.773 2.685 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.687 -10.675 4.987 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.998 -12.597 3.636 1.00 8.90 H new ATOM 76 N VAL A 5 1.109 -6.853 3.013 1.00 4.44 N ATOM 77 CA VAL A 5 0.107 -5.828 3.196 1.00 3.87 C ATOM 78 C VAL A 5 -0.906 -6.495 4.117 1.00 4.93 C ATOM 79 O VAL A 5 -1.449 -7.589 3.889 1.00 6.84 O ATOM 80 CB VAL A 5 -0.495 -5.223 1.934 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.471 -4.106 2.244 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.580 -4.710 1.004 1.00 9.13 C ATOM 0 H VAL A 5 0.744 -7.750 2.693 1.00 4.44 H new ATOM 0 HA VAL A 5 0.549 -4.925 3.618 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.042 -6.026 1.440 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.874 -3.706 1.313 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.286 -4.494 2.855 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.956 -3.313 2.787 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.118 -4.285 0.113 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.164 -3.942 1.511 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.234 -5.533 0.716 1.00 9.13 H new ATOM 92 N LYS A 6 -1.120 -5.918 5.338 1.00 6.04 N ATOM 93 CA LYS A 6 -1.984 -6.426 6.372 1.00 6.12 C ATOM 94 C LYS A 6 -3.177 -5.552 6.626 1.00 6.57 C ATOM 95 O LYS A 6 -3.072 -4.384 6.904 1.00 5.76 O ATOM 96 CB LYS A 6 -1.159 -6.423 7.687 1.00 7.45 C ATOM 97 CG LYS A 6 -0.316 -7.661 7.822 1.00 11.12 C ATOM 98 CD LYS A 6 0.113 -7.820 9.294 1.00 14.54 C ATOM 99 CE LYS A 6 1.226 -8.825 9.553 1.00 18.84 C ATOM 100 NZ LYS A 6 0.656 -10.120 9.219 1.00 20.55 N ATOM 0 H LYS A 6 -0.660 -5.049 5.609 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.337 -7.409 6.059 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.517 -5.542 7.711 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.834 -6.349 8.539 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.879 -8.536 7.497 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.562 -7.590 7.180 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.433 -6.847 9.667 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.759 -8.114 9.878 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.101 -8.610 8.940 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.550 -8.794 10.593 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.293 -10.874 9.546 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.269 -10.222 9.684 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.535 -10.191 8.188 1.00 20.55 H new ATOM 114 N THR A 7 -4.415 -6.114 6.391 1.00 7.41 N ATOM 115 CA THR A 7 -5.651 -5.274 6.319 1.00 7.48 C ATOM 116 C THR A 7 -6.318 -5.080 7.680 1.00 8.75 C ATOM 117 O THR A 7 -6.218 -5.918 8.613 1.00 8.58 O ATOM 118 CB THR A 7 -6.636 -5.737 5.321 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.266 -6.921 5.676 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.880 -5.895 4.056 1.00 9.17 C ATOM 0 H THR A 7 -4.573 -7.112 6.253 1.00 7.41 H new ATOM 0 HA THR A 7 -5.291 -4.303 5.978 1.00 7.48 H new ATOM 0 HB THR A 7 -7.446 -5.013 5.233 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.906 -7.173 4.978 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.553 -6.238 3.270 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.446 -4.937 3.770 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.084 -6.627 4.197 1.00 9.17 H new ATOM 128 N LEU A 8 -7.116 -4.043 7.876 1.00 9.84 N ATOM 129 CA LEU A 8 -7.953 -3.848 9.065 1.00 14.15 C ATOM 130 C LEU A 8 -8.927 -5.037 9.258 1.00 17.37 C ATOM 131 O LEU A 8 -9.175 -5.534 10.369 1.00 17.01 O ATOM 132 CB LEU A 8 -8.783 -2.503 8.905 1.00 16.63 C ATOM 133 CG LEU A 8 -9.465 -2.025 10.178 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.532 -1.479 11.256 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.478 -0.943 9.861 1.00 18.59 C ATOM 0 H LEU A 8 -7.207 -3.288 7.197 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.307 -3.788 9.941 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.114 -1.719 8.550 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.541 -2.648 8.135 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.930 -2.925 10.582 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.118 -1.166 12.120 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.829 -2.256 11.556 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.982 -0.625 10.862 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.957 -0.612 10.782 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.974 -0.099 9.391 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.233 -1.339 9.182 1.00 18.59 H new ATOM 147 N THR A 9 -9.429 -5.584 8.127 1.00 18.33 N ATOM 148 CA THR A 9 -10.481 -6.625 8.113 1.00 19.24 C ATOM 149 C THR A 9 -9.834 -8.035 8.140 1.00 19.48 C ATOM 150 O THR A 9 -10.519 -9.013 7.794 1.00 23.14 O ATOM 151 CB THR A 9 -11.455 -6.539 6.961 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.721 -6.567 5.713 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.181 -5.184 7.176 1.00 19.70 C ATOM 0 H THR A 9 -9.114 -5.314 7.195 1.00 18.33 H new ATOM 0 HA THR A 9 -11.071 -6.444 9.011 1.00 19.24 H new ATOM 0 HB THR A 9 -12.164 -7.366 6.920 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.349 -6.513 4.963 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.913 -5.033 6.382 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.689 -5.192 8.141 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.452 -4.374 7.156 1.00 19.70 H new ATOM 161 N GLY A 10 -8.502 -8.180 8.512 1.00 19.43 N ATOM 162 CA GLY A 10 -7.929 -9.372 9.030 1.00 18.74 C ATOM 163 C GLY A 10 -7.366 -10.308 8.006 1.00 17.62 C ATOM 164 O GLY A 10 -7.319 -11.504 8.289 1.00 19.74 O ATOM 0 H GLY A 10 -7.829 -7.418 8.435 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.135 -9.101 9.726 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.689 -9.902 9.604 1.00 18.74 H new ATOM 168 N LYS A 11 -6.913 -9.753 6.858 1.00 13.56 N ATOM 169 CA LYS A 11 -6.266 -10.558 5.854 1.00 11.91 C ATOM 170 C LYS A 11 -4.822 -10.120 5.751 1.00 10.18 C ATOM 171 O LYS A 11 -4.496 -8.996 6.192 1.00 9.10 O ATOM 172 CB LYS A 11 -7.087 -10.460 4.464 1.00 13.43 C ATOM 173 CG LYS A 11 -6.601 -11.422 3.379 1.00 16.69 C ATOM 174 CD LYS A 11 -7.594 -11.268 2.225 1.00 17.92 C ATOM 175 CE LYS A 11 -7.549 -12.507 1.309 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.480 -12.373 0.159 1.00 21.93 N ATOM 0 H LYS A 11 -6.992 -8.763 6.627 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.264 -11.615 6.122 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.141 -10.657 4.663 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.019 -9.440 4.086 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.588 -11.176 3.061 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.580 -12.449 3.745 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.602 -11.135 2.619 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.357 -10.373 1.649 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.533 -12.651 0.940 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.808 -13.395 1.885 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.186 -13.017 -0.603 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.445 -12.615 0.463 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.462 -11.393 -0.189 1.00 21.93 H new ATOM 190 N THR A 12 -3.910 -11.008 5.297 1.00 9.63 N ATOM 191 CA THR A 12 -2.479 -10.687 5.113 1.00 9.85 C ATOM 192 C THR A 12 -2.301 -11.031 3.623 1.00 11.66 C ATOM 193 O THR A 12 -2.502 -12.160 3.283 1.00 12.33 O ATOM 194 CB THR A 12 -1.453 -11.410 6.027 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.684 -10.889 7.344 1.00 10.91 O ATOM 196 CG2 THR A 12 0.016 -11.148 5.642 1.00 9.63 C ATOM 0 H THR A 12 -4.147 -11.968 5.048 1.00 9.63 H new ATOM 0 HA THR A 12 -2.261 -9.659 5.402 1.00 9.85 H new ATOM 0 HB THR A 12 -1.595 -12.487 5.941 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.181 -11.418 7.998 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.673 -11.686 6.325 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.192 -11.492 4.623 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.224 -10.080 5.705 1.00 9.63 H new ATOM 204 N ILE A 13 -1.905 -10.108 2.755 1.00 10.42 N ATOM 205 CA ILE A 13 -1.652 -10.399 1.340 1.00 11.84 C ATOM 206 C ILE A 13 -0.180 -10.125 1.045 1.00 10.55 C ATOM 207 O ILE A 13 0.385 -9.176 1.624 1.00 11.92 O ATOM 208 CB ILE A 13 -2.522 -9.653 0.355 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.422 -8.118 0.398 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.937 -10.010 0.658 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.128 -7.450 -0.762 1.00 16.46 C ATOM 0 H ILE A 13 -1.748 -9.132 3.008 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.912 -11.448 1.196 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.176 -9.949 -0.635 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.849 -7.757 1.334 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.372 -7.827 0.394 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.600 -9.490 -0.034 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.072 -11.086 0.550 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.176 -9.715 1.680 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.023 -6.368 -0.678 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.685 -7.785 -1.700 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.185 -7.714 -0.745 1.00 16.46 H new ATOM 223 N THR A 14 0.463 -10.910 0.172 1.00 9.39 N ATOM 224 CA THR A 14 1.888 -10.819 -0.190 1.00 9.63 C ATOM 225 C THR A 14 1.993 -10.251 -1.574 1.00 11.20 C ATOM 226 O THR A 14 1.440 -10.765 -2.546 1.00 11.63 O ATOM 227 CB THR A 14 2.515 -12.177 -0.120 1.00 10.38 C ATOM 228 OG1 THR A 14 2.287 -12.835 1.152 1.00 16.30 O ATOM 229 CG2 THR A 14 3.997 -12.190 -0.344 1.00 11.66 C ATOM 0 H THR A 14 -0.015 -11.661 -0.326 1.00 9.39 H new ATOM 0 HA THR A 14 2.416 -10.168 0.506 1.00 9.63 H new ATOM 0 HB THR A 14 2.022 -12.708 -0.934 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.924 -12.496 1.815 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.366 -13.213 -0.276 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.219 -11.789 -1.333 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.485 -11.577 0.414 1.00 11.66 H new ATOM 237 N LEU A 15 2.868 -9.182 -1.803 1.00 8.29 N ATOM 238 CA LEU A 15 3.100 -8.640 -3.136 1.00 9.03 C ATOM 239 C LEU A 15 4.589 -8.607 -3.455 1.00 8.59 C ATOM 240 O LEU A 15 5.484 -8.769 -2.637 1.00 7.79 O ATOM 241 CB LEU A 15 2.716 -7.126 -3.231 1.00 11.08 C ATOM 242 CG LEU A 15 1.315 -6.652 -2.640 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.264 -5.140 -2.721 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.011 -7.282 -3.191 1.00 15.27 C ATOM 0 H LEU A 15 3.396 -8.715 -1.065 1.00 8.29 H new ATOM 0 HA LEU A 15 2.511 -9.274 -3.798 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.497 -6.555 -2.728 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.743 -6.844 -4.284 1.00 11.08 H new ATOM 0 HG LEU A 15 1.309 -7.036 -1.620 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.313 -4.786 -2.322 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.082 -4.717 -2.138 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.360 -4.828 -3.761 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.848 -6.847 -2.680 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.065 -7.085 -4.260 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.027 -8.359 -3.021 1.00 15.27 H new ATOM 256 N GLU A 16 4.930 -8.367 -4.736 1.00 11.04 N ATOM 257 CA GLU A 16 6.279 -8.236 -5.203 1.00 11.50 C ATOM 258 C GLU A 16 6.441 -6.916 -5.823 1.00 10.13 C ATOM 259 O GLU A 16 5.759 -6.570 -6.813 1.00 9.83 O ATOM 260 CB GLU A 16 6.538 -9.357 -6.233 1.00 17.22 C ATOM 261 CG GLU A 16 7.848 -9.259 -7.083 1.00 23.33 C ATOM 262 CD GLU A 16 9.094 -9.840 -6.339 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.972 -11.066 -5.910 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.177 -9.177 -6.291 1.00 28.86 O ATOM 0 H GLU A 16 4.238 -8.260 -5.477 1.00 11.04 H new ATOM 0 HA GLU A 16 6.991 -8.324 -4.383 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.551 -10.308 -5.701 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.692 -9.387 -6.919 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.708 -9.795 -8.022 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.035 -8.215 -7.336 1.00 23.33 H new ATOM 271 N VAL A 17 7.318 -6.081 -5.241 1.00 8.99 N ATOM 272 CA VAL A 17 7.551 -4.774 -5.645 1.00 8.85 C ATOM 273 C VAL A 17 8.986 -4.401 -5.775 1.00 8.04 C ATOM 274 O VAL A 17 9.897 -5.179 -5.526 1.00 8.99 O ATOM 275 CB VAL A 17 6.903 -3.757 -4.789 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.404 -4.121 -4.722 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.543 -3.809 -3.396 1.00 10.54 C ATOM 0 H VAL A 17 7.888 -6.358 -4.441 1.00 8.99 H new ATOM 0 HA VAL A 17 7.098 -4.770 -6.636 1.00 8.85 H new ATOM 0 HB VAL A 17 7.025 -2.748 -5.182 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.881 -3.396 -4.098 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.981 -4.108 -5.727 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.290 -5.117 -4.294 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.075 -3.064 -2.753 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.400 -4.801 -2.967 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.610 -3.600 -3.478 1.00 10.54 H new ATOM 287 N GLU A 18 9.261 -3.115 -6.226 1.00 7.29 N ATOM 288 CA GLU A 18 10.591 -2.593 -6.420 1.00 7.08 C ATOM 289 C GLU A 18 10.822 -1.356 -5.542 1.00 6.45 C ATOM 290 O GLU A 18 9.808 -0.741 -5.261 1.00 5.28 O ATOM 291 CB GLU A 18 10.779 -2.204 -7.966 1.00 10.28 C ATOM 292 CG GLU A 18 12.131 -1.593 -8.295 1.00 12.65 C ATOM 293 CD GLU A 18 12.213 -0.961 -9.690 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.311 -1.119 -10.508 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.258 -0.318 -9.944 1.00 14.33 O ATOM 0 H GLU A 18 8.528 -2.443 -6.454 1.00 7.29 H new ATOM 0 HA GLU A 18 11.317 -3.354 -6.136 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.640 -3.098 -8.574 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.996 -1.501 -8.250 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.364 -0.833 -7.550 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.896 -2.365 -8.213 1.00 12.65 H new ATOM 302 N PRO A 19 12.012 -0.914 -5.046 1.00 7.24 N ATOM 303 CA PRO A 19 12.112 0.335 -4.315 1.00 7.07 C ATOM 304 C PRO A 19 11.646 1.559 -5.136 1.00 6.65 C ATOM 305 O PRO A 19 11.141 2.508 -4.564 1.00 6.37 O ATOM 306 CB PRO A 19 13.538 0.350 -3.853 1.00 7.61 C ATOM 307 CG PRO A 19 13.826 -1.151 -3.613 1.00 8.16 C ATOM 308 CD PRO A 19 13.131 -1.802 -4.858 1.00 7.49 C ATOM 0 HA PRO A 19 11.433 0.404 -3.465 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.204 0.776 -4.604 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.664 0.938 -2.944 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.894 -1.364 -3.581 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.402 -1.506 -2.674 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.786 -1.829 -5.729 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.816 -2.827 -4.665 1.00 7.49 H new ATOM 316 N SER A 20 11.746 1.511 -6.474 1.00 6.80 N ATOM 317 CA SER A 20 11.244 2.621 -7.238 1.00 6.28 C ATOM 318 C SER A 20 9.724 2.618 -7.573 1.00 8.45 C ATOM 319 O SER A 20 9.196 3.621 -8.119 1.00 7.26 O ATOM 320 CB SER A 20 12.058 2.579 -8.513 1.00 8.57 C ATOM 321 OG SER A 20 13.456 2.939 -8.245 1.00 11.13 O ATOM 0 H SER A 20 12.153 0.746 -7.012 1.00 6.80 H new ATOM 0 HA SER A 20 11.345 3.528 -6.642 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.011 1.581 -8.948 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.634 3.266 -9.245 1.00 8.57 H new ATOM 0 HG SER A 20 13.968 2.905 -9.080 1.00 11.13 H new ATOM 327 N ASP A 21 8.883 1.598 -7.142 1.00 7.50 N ATOM 328 CA ASP A 21 7.518 1.635 -7.365 1.00 7.70 C ATOM 329 C ASP A 21 6.921 2.722 -6.557 1.00 7.08 C ATOM 330 O ASP A 21 7.245 2.881 -5.403 1.00 8.11 O ATOM 331 CB ASP A 21 6.871 0.271 -7.012 1.00 11.00 C ATOM 332 CG ASP A 21 7.306 -0.895 -7.919 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.787 -0.621 -9.049 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.033 -2.034 -7.542 1.00 18.03 O ATOM 0 H ASP A 21 9.205 0.769 -6.642 1.00 7.50 H new ATOM 0 HA ASP A 21 7.331 1.829 -8.421 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.117 0.023 -5.979 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.787 0.372 -7.066 1.00 11.00 H new ATOM 339 N THR A 22 5.975 3.518 -7.132 1.00 5.37 N ATOM 340 CA THR A 22 5.179 4.467 -6.357 1.00 6.01 C ATOM 341 C THR A 22 4.058 3.735 -5.626 1.00 8.01 C ATOM 342 O THR A 22 3.594 2.624 -5.975 1.00 8.11 O ATOM 343 CB THR A 22 4.764 5.640 -7.118 1.00 8.92 C ATOM 344 OG1 THR A 22 3.938 5.290 -8.231 1.00 10.22 O ATOM 345 CG2 THR A 22 6.018 6.412 -7.670 1.00 9.65 C ATOM 0 H THR A 22 5.758 3.508 -8.129 1.00 5.37 H new ATOM 0 HA THR A 22 5.816 4.903 -5.588 1.00 6.01 H new ATOM 0 HB THR A 22 4.196 6.269 -6.433 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.679 6.102 -8.715 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.689 7.284 -8.235 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.643 6.734 -6.837 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.593 5.754 -8.321 1.00 9.65 H new ATOM 353 N ILE A 23 3.489 4.334 -4.547 1.00 8.32 N ATOM 354 CA ILE A 23 2.316 3.874 -3.848 1.00 9.92 C ATOM 355 C ILE A 23 1.008 3.791 -4.640 1.00 10.01 C ATOM 356 O ILE A 23 0.229 2.890 -4.382 1.00 8.71 O ATOM 357 CB ILE A 23 2.117 4.683 -2.577 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.423 4.747 -1.743 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.006 4.159 -1.687 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.976 3.460 -1.070 1.00 12.30 C ATOM 0 H ILE A 23 3.873 5.188 -4.142 1.00 8.32 H new ATOM 0 HA ILE A 23 2.540 2.830 -3.631 1.00 9.92 H new ATOM 0 HB ILE A 23 1.831 5.677 -2.920 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.206 5.135 -2.395 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.270 5.485 -0.956 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.924 4.787 -0.800 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.063 4.177 -2.233 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.232 3.136 -1.387 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.893 3.697 -0.531 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.236 3.068 -0.372 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.187 2.712 -1.834 1.00 12.30 H new ATOM 372 N GLU A 24 0.902 4.571 -5.692 1.00 9.54 N ATOM 373 CA GLU A 24 -0.055 4.435 -6.779 1.00 11.81 C ATOM 374 C GLU A 24 0.009 3.073 -7.521 1.00 11.14 C ATOM 375 O GLU A 24 -0.984 2.383 -7.620 1.00 10.62 O ATOM 376 CB GLU A 24 0.217 5.580 -7.762 1.00 19.24 C ATOM 377 CG GLU A 24 -0.743 5.699 -8.966 1.00 27.76 C ATOM 378 CD GLU A 24 -1.914 6.468 -8.370 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.926 7.703 -8.350 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.894 5.801 -7.958 1.00 34.80 O ATOM 0 H GLU A 24 1.520 5.371 -5.824 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.058 4.478 -6.354 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.188 6.519 -7.209 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.231 5.467 -8.145 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.287 6.234 -9.799 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.047 4.722 -9.342 1.00 27.76 H new ATOM 387 N ASN A 25 1.236 2.591 -7.811 1.00 9.43 N ATOM 388 CA ASN A 25 1.489 1.294 -8.379 1.00 10.96 C ATOM 389 C ASN A 25 1.144 0.171 -7.372 1.00 9.68 C ATOM 390 O ASN A 25 0.535 -0.844 -7.682 1.00 9.33 O ATOM 391 CB ASN A 25 2.935 1.160 -8.950 1.00 16.78 C ATOM 392 CG ASN A 25 3.483 2.332 -9.719 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.656 2.651 -9.603 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.728 2.920 -10.653 1.00 24.70 N ATOM 0 H ASN A 25 2.088 3.126 -7.643 1.00 9.43 H new ATOM 0 HA ASN A 25 0.824 1.181 -9.235 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.609 0.957 -8.118 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.961 0.287 -9.602 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.133 3.630 -11.263 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.747 2.658 -10.755 1.00 24.70 H new ATOM 401 N VAL A 26 1.430 0.372 -6.063 1.00 6.52 N ATOM 402 CA VAL A 26 1.087 -0.513 -4.994 1.00 5.53 C ATOM 403 C VAL A 26 -0.398 -0.610 -4.806 1.00 4.42 C ATOM 404 O VAL A 26 -0.835 -1.749 -4.752 1.00 3.40 O ATOM 405 CB VAL A 26 1.807 -0.007 -3.687 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.431 -0.958 -2.497 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.285 -0.155 -3.933 1.00 8.12 C ATOM 0 H VAL A 26 1.929 1.201 -5.740 1.00 6.52 H new ATOM 0 HA VAL A 26 1.425 -1.522 -5.233 1.00 5.53 H new ATOM 0 HB VAL A 26 1.522 1.019 -3.453 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.925 -0.616 -1.588 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.351 -0.947 -2.350 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.755 -1.973 -2.726 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.836 0.183 -3.055 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.518 -1.202 -4.127 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.572 0.447 -4.795 1.00 8.12 H new ATOM 417 N LYS A 27 -1.208 0.448 -4.880 1.00 2.64 N ATOM 418 CA LYS A 27 -2.591 0.317 -4.858 1.00 4.14 C ATOM 419 C LYS A 27 -3.150 -0.337 -6.127 1.00 5.58 C ATOM 420 O LYS A 27 -4.043 -1.175 -6.130 1.00 4.11 O ATOM 421 CB LYS A 27 -3.277 1.673 -4.707 1.00 3.97 C ATOM 422 CG LYS A 27 -2.972 2.271 -3.377 1.00 7.45 C ATOM 423 CD LYS A 27 -3.890 3.589 -3.210 1.00 9.02 C ATOM 424 CE LYS A 27 -3.278 4.853 -3.864 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.232 6.001 -3.829 1.00 15.47 N ATOM 0 H LYS A 27 -0.879 1.410 -4.957 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.800 -0.323 -4.001 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.944 2.345 -5.498 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.355 1.556 -4.820 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.179 1.557 -2.580 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.915 2.529 -3.307 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.869 3.399 -3.650 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.050 3.779 -2.149 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.360 5.125 -3.344 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.007 4.635 -4.897 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.826 6.805 -4.348 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.130 5.720 -4.272 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.405 6.278 -2.842 1.00 15.47 H new ATOM 439 N ALA A 28 -2.529 -0.132 -7.301 1.00 6.61 N ATOM 440 CA ALA A 28 -2.890 -0.874 -8.474 1.00 7.74 C ATOM 441 C ALA A 28 -2.606 -2.374 -8.529 1.00 9.17 C ATOM 442 O ALA A 28 -3.361 -3.134 -9.098 1.00 11.45 O ATOM 443 CB ALA A 28 -2.140 -0.261 -9.668 1.00 7.68 C ATOM 0 H ALA A 28 -1.779 0.545 -7.441 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.977 -0.797 -8.480 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.395 -0.806 -10.577 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.426 0.785 -9.780 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.066 -0.327 -9.495 1.00 7.68 H new ATOM 449 N LYS A 29 -1.504 -2.833 -7.844 1.00 8.96 N ATOM 450 CA LYS A 29 -1.174 -4.226 -7.573 1.00 7.90 C ATOM 451 C LYS A 29 -2.249 -4.855 -6.672 1.00 6.92 C ATOM 452 O LYS A 29 -2.716 -5.967 -6.925 1.00 6.87 O ATOM 453 CB LYS A 29 0.255 -4.276 -6.935 1.00 10.28 C ATOM 454 CG LYS A 29 0.859 -5.637 -7.041 1.00 14.94 C ATOM 455 CD LYS A 29 2.437 -5.454 -7.306 1.00 19.69 C ATOM 456 CE LYS A 29 2.800 -5.501 -8.778 1.00 22.63 C ATOM 457 NZ LYS A 29 4.252 -5.339 -8.930 1.00 24.98 N ATOM 0 H LYS A 29 -0.809 -2.192 -7.461 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.159 -4.812 -8.492 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.901 -3.552 -7.431 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.196 -3.985 -5.886 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.688 -6.203 -6.125 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.397 -6.198 -7.854 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.762 -4.501 -6.888 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.982 -6.237 -6.778 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.482 -6.449 -9.212 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.277 -4.712 -9.318 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.558 -5.775 -9.823 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.489 -4.326 -8.940 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.738 -5.800 -8.135 1.00 24.98 H new ATOM 471 N ILE A 30 -2.724 -4.190 -5.656 1.00 4.57 N ATOM 472 CA ILE A 30 -3.727 -4.642 -4.712 1.00 5.58 C ATOM 473 C ILE A 30 -5.016 -4.671 -5.454 1.00 7.26 C ATOM 474 O ILE A 30 -5.809 -5.619 -5.250 1.00 9.46 O ATOM 475 CB ILE A 30 -3.789 -3.903 -3.406 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.430 -4.100 -2.596 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.991 -4.272 -2.507 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.215 -3.183 -1.387 1.00 2.00 C ATOM 0 H ILE A 30 -2.400 -3.246 -5.444 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.454 -5.636 -4.357 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.931 -2.856 -3.676 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.384 -5.133 -2.253 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.598 -3.956 -3.285 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.950 -3.688 -1.588 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.920 -4.055 -3.034 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.951 -5.334 -2.264 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.257 -3.414 -0.921 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.218 -2.143 -1.714 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.017 -3.339 -0.665 1.00 2.00 H new ATOM 490 N GLN A 31 -5.273 -3.747 -6.445 1.00 7.06 N ATOM 491 CA GLN A 31 -6.447 -3.792 -7.323 1.00 8.67 C ATOM 492 C GLN A 31 -6.438 -5.000 -8.221 1.00 10.90 C ATOM 493 O GLN A 31 -7.402 -5.685 -8.332 1.00 9.63 O ATOM 494 CB GLN A 31 -6.662 -2.444 -8.154 1.00 9.12 C ATOM 495 CG GLN A 31 -7.915 -2.319 -9.032 1.00 10.76 C ATOM 496 CD GLN A 31 -7.990 -1.161 -9.973 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.898 -0.354 -10.036 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.889 -0.970 -10.706 1.00 14.76 N ATOM 0 H GLN A 31 -4.655 -2.958 -6.637 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.307 -3.884 -6.660 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.669 -1.615 -7.446 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.792 -2.308 -8.796 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.007 -3.234 -9.618 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.783 -2.273 -8.374 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.123 -1.641 -10.660 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.815 -0.153 -11.312 1.00 14.76 H new ATOM 507 N ASP A 32 -5.299 -5.426 -8.857 1.00 10.93 N ATOM 508 CA ASP A 32 -5.171 -6.669 -9.559 1.00 14.01 C ATOM 509 C ASP A 32 -5.379 -7.940 -8.649 1.00 14.04 C ATOM 510 O ASP A 32 -6.084 -8.886 -9.054 1.00 13.39 O ATOM 511 CB ASP A 32 -3.813 -6.755 -10.347 1.00 18.01 C ATOM 512 CG ASP A 32 -3.705 -7.983 -11.229 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.645 -8.274 -11.980 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.617 -8.609 -11.233 1.00 25.17 O ATOM 0 H ASP A 32 -4.443 -4.871 -8.873 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.989 -6.677 -10.279 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.702 -5.863 -10.964 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.988 -6.755 -9.635 1.00 18.01 H new ATOM 519 N LYS A 33 -4.701 -7.975 -7.493 1.00 14.22 N ATOM 520 CA LYS A 33 -4.735 -9.154 -6.633 1.00 14.00 C ATOM 521 C LYS A 33 -6.103 -9.339 -5.978 1.00 12.37 C ATOM 522 O LYS A 33 -6.702 -10.418 -6.091 1.00 12.17 O ATOM 523 CB LYS A 33 -3.751 -8.998 -5.456 1.00 18.62 C ATOM 524 CG LYS A 33 -2.281 -9.099 -5.944 1.00 24.00 C ATOM 525 CD LYS A 33 -1.571 -10.058 -5.037 1.00 27.61 C ATOM 526 CE LYS A 33 -0.255 -10.553 -5.608 1.00 27.64 C ATOM 527 NZ LYS A 33 0.297 -11.629 -4.825 1.00 30.06 N ATOM 0 H LYS A 33 -4.130 -7.207 -7.140 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.485 -9.997 -7.278 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.911 -8.036 -4.968 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.944 -9.769 -4.711 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.243 -9.447 -6.976 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.801 -8.121 -5.920 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.385 -9.573 -4.079 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.220 -10.912 -4.841 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.408 -10.891 -6.633 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.457 -9.729 -5.647 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.865 -12.248 -5.438 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.900 -11.238 -4.074 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.475 -12.179 -4.397 1.00 30.06 H new ATOM 541 N GLU A 34 -6.696 -8.254 -5.419 1.00 10.11 N ATOM 542 CA GLU A 34 -7.772 -8.319 -4.502 1.00 10.07 C ATOM 543 C GLU A 34 -8.881 -7.445 -4.889 1.00 9.32 C ATOM 544 O GLU A 34 -10.003 -7.505 -4.282 1.00 11.61 O ATOM 545 CB GLU A 34 -7.161 -7.924 -3.176 1.00 14.77 C ATOM 546 CG GLU A 34 -6.258 -9.030 -2.460 1.00 18.75 C ATOM 547 CD GLU A 34 -7.061 -10.304 -2.057 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.078 -10.210 -1.321 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.588 -11.415 -2.459 1.00 21.95 O ATOM 0 H GLU A 34 -6.402 -7.299 -5.625 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.219 -9.312 -4.463 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.553 -7.033 -3.331 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -7.967 -7.647 -2.496 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.445 -9.316 -3.128 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.802 -8.598 -1.569 1.00 18.75 H new ATOM 556 N GLY A 35 -8.793 -6.638 -5.941 1.00 7.22 N ATOM 557 CA GLY A 35 -9.989 -5.987 -6.471 1.00 6.29 C ATOM 558 C GLY A 35 -10.517 -4.739 -5.881 1.00 6.93 C ATOM 559 O GLY A 35 -11.523 -4.235 -6.280 1.00 7.41 O ATOM 0 H GLY A 35 -7.928 -6.421 -6.435 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.797 -5.783 -7.524 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.793 -6.721 -6.430 1.00 6.29 H new ATOM 563 N ILE A 36 -9.803 -4.189 -4.870 1.00 5.86 N ATOM 564 CA ILE A 36 -10.258 -2.966 -4.184 1.00 6.07 C ATOM 565 C ILE A 36 -10.073 -1.704 -5.042 1.00 6.36 C ATOM 566 O ILE A 36 -8.941 -1.657 -5.596 1.00 6.18 O ATOM 567 CB ILE A 36 -9.674 -2.841 -2.772 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.667 -4.151 -1.937 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.458 -1.751 -2.038 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.888 -4.095 -0.603 1.00 9.49 C ATOM 0 H ILE A 36 -8.924 -4.569 -4.519 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.335 -3.063 -4.048 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.620 -2.589 -2.886 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.699 -4.428 -1.722 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.244 -4.948 -2.549 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.065 -1.638 -1.028 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.358 -0.807 -2.574 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.510 -2.030 -1.989 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.950 -5.062 -0.105 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.843 -3.855 -0.801 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.321 -3.328 0.039 1.00 9.49 H new ATOM 582 N PRO A 37 -10.919 -0.666 -5.198 1.00 8.65 N ATOM 583 CA PRO A 37 -10.498 0.569 -5.876 1.00 9.18 C ATOM 584 C PRO A 37 -9.229 1.288 -5.379 1.00 9.85 C ATOM 585 O PRO A 37 -9.265 1.519 -4.162 1.00 8.51 O ATOM 586 CB PRO A 37 -11.689 1.528 -5.772 1.00 11.42 C ATOM 587 CG PRO A 37 -12.946 0.640 -5.539 1.00 9.27 C ATOM 588 CD PRO A 37 -12.344 -0.728 -4.990 1.00 8.33 C ATOM 0 HA PRO A 37 -10.214 0.270 -6.885 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.552 2.231 -4.950 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.793 2.118 -6.682 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.629 1.094 -4.821 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.507 0.489 -6.462 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.576 -0.856 -3.933 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.775 -1.580 -5.516 1.00 8.33 H new ATOM 596 N PRO A 38 -8.194 1.667 -6.159 1.00 8.71 N ATOM 597 CA PRO A 38 -7.160 2.548 -5.664 1.00 9.08 C ATOM 598 C PRO A 38 -7.556 3.973 -5.103 1.00 9.28 C ATOM 599 O PRO A 38 -6.795 4.682 -4.436 1.00 6.50 O ATOM 600 CB PRO A 38 -6.241 2.673 -6.853 1.00 10.31 C ATOM 601 CG PRO A 38 -6.368 1.295 -7.541 1.00 10.81 C ATOM 602 CD PRO A 38 -7.861 1.100 -7.452 1.00 12.00 C ATOM 0 HA PRO A 38 -6.744 2.110 -4.757 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.546 3.484 -7.515 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.215 2.879 -6.549 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.009 1.307 -8.570 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.813 0.515 -7.019 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.383 1.610 -8.262 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.134 0.046 -7.512 1.00 12.00 H new ATOM 610 N ASP A 39 -8.803 4.395 -5.341 1.00 11.20 N ATOM 611 CA ASP A 39 -9.446 5.612 -4.813 1.00 14.96 C ATOM 612 C ASP A 39 -10.330 5.345 -3.600 1.00 13.99 C ATOM 613 O ASP A 39 -10.896 6.275 -3.002 1.00 13.75 O ATOM 614 CB ASP A 39 -10.410 6.217 -5.867 1.00 24.16 C ATOM 615 CG ASP A 39 -9.523 6.734 -6.983 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.826 7.774 -6.800 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.624 6.173 -8.139 1.00 34.22 O ATOM 0 H ASP A 39 -9.432 3.866 -5.944 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.619 6.272 -4.551 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.107 5.466 -6.237 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.007 7.021 -5.436 1.00 24.16 H new ATOM 622 N GLN A 40 -10.400 4.034 -3.118 1.00 11.60 N ATOM 623 CA GLN A 40 -10.847 3.701 -1.785 1.00 10.76 C ATOM 624 C GLN A 40 -9.690 3.247 -0.792 1.00 8.01 C ATOM 625 O GLN A 40 -9.791 3.372 0.430 1.00 8.96 O ATOM 626 CB GLN A 40 -11.783 2.552 -1.767 1.00 11.14 C ATOM 627 CG GLN A 40 -12.706 2.536 -0.536 1.00 14.85 C ATOM 628 CD GLN A 40 -13.675 1.352 -0.517 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.246 0.194 -0.656 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.006 1.623 -0.340 1.00 18.16 N ATOM 0 H GLN A 40 -10.139 3.221 -3.676 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.304 4.637 -1.462 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.394 2.576 -2.670 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.210 1.625 -1.794 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.095 2.510 0.366 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.277 3.464 -0.508 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.320 2.587 -0.229 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.683 0.861 -0.319 1.00 18.16 H new ATOM 639 N GLN A 41 -8.639 2.637 -1.394 1.00 6.52 N ATOM 640 CA GLN A 41 -7.510 2.159 -0.619 1.00 3.87 C ATOM 641 C GLN A 41 -6.682 3.229 0.132 1.00 4.79 C ATOM 642 O GLN A 41 -6.443 4.339 -0.375 1.00 6.34 O ATOM 643 CB GLN A 41 -6.481 1.366 -1.474 1.00 4.20 C ATOM 644 CG GLN A 41 -7.151 0.032 -1.947 1.00 3.20 C ATOM 645 CD GLN A 41 -6.127 -0.587 -2.861 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.996 -0.916 -2.475 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.500 -0.717 -4.171 1.00 7.13 N ATOM 0 H GLN A 41 -8.567 2.475 -2.398 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.021 1.534 0.113 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.167 1.958 -2.334 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.586 1.154 -0.889 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.380 -0.620 -1.104 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.090 0.220 -2.468 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.437 -0.439 -4.465 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.842 -1.092 -4.854 1.00 7.13 H new ATOM 656 N ARG A 42 -6.080 2.920 1.275 1.00 5.73 N ATOM 657 CA ARG A 42 -5.216 3.836 1.974 1.00 6.97 C ATOM 658 C ARG A 42 -4.240 3.053 2.711 1.00 7.15 C ATOM 659 O ARG A 42 -4.525 1.998 3.224 1.00 7.33 O ATOM 660 CB ARG A 42 -5.994 4.836 2.907 1.00 13.23 C ATOM 661 CG ARG A 42 -6.815 5.842 2.142 1.00 21.27 C ATOM 662 CD ARG A 42 -7.200 7.075 3.045 1.00 26.14 C ATOM 663 NE ARG A 42 -7.163 8.290 2.246 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.621 9.486 2.757 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.276 9.505 3.880 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.398 10.582 2.016 1.00 36.39 N ATOM 0 H ARG A 42 -6.185 2.017 1.738 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.716 4.475 1.246 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.649 4.270 3.570 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.280 5.364 3.539 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.254 6.186 1.273 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.721 5.366 1.768 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.195 6.934 3.467 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.507 7.156 3.883 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.794 8.257 1.296 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.451 8.635 4.383 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.615 10.390 4.258 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.911 10.504 1.123 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.715 11.494 2.346 1.00 36.39 H new ATOM 680 N LEU A 43 -2.952 3.466 2.720 1.00 4.65 N ATOM 681 CA LEU A 43 -1.821 2.799 3.308 1.00 3.51 C ATOM 682 C LEU A 43 -1.144 3.542 4.458 1.00 5.56 C ATOM 683 O LEU A 43 -0.901 4.742 4.440 1.00 4.19 O ATOM 684 CB LEU A 43 -0.750 2.381 2.281 1.00 3.74 C ATOM 685 CG LEU A 43 -1.165 1.236 1.375 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.277 0.894 0.180 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.406 -0.090 2.176 1.00 6.41 C ATOM 0 H LEU A 43 -2.681 4.344 2.276 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.283 1.907 3.731 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.499 3.244 1.664 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.157 2.096 2.815 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.080 1.648 0.950 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.709 0.056 -0.366 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.206 1.759 -0.480 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.718 0.623 0.532 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.701 -0.882 1.488 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.488 -0.378 2.688 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.197 0.067 2.910 1.00 6.41 H new ATOM 699 N ILE A 44 -0.882 2.738 5.488 1.00 4.58 N ATOM 700 CA ILE A 44 -0.287 3.289 6.647 1.00 5.55 C ATOM 701 C ILE A 44 0.982 2.482 6.821 1.00 5.46 C ATOM 702 O ILE A 44 0.890 1.266 6.748 1.00 6.04 O ATOM 703 CB ILE A 44 -1.065 3.520 7.945 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.264 4.544 7.717 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.213 3.917 9.119 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.234 4.583 8.862 1.00 13.90 C ATOM 0 H ILE A 44 -1.075 1.737 5.521 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.162 4.354 6.449 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.479 2.549 8.215 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.856 5.543 7.561 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.798 4.272 6.806 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.845 4.060 9.995 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.516 3.132 9.321 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.309 4.847 8.892 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.026 5.300 8.644 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.669 3.594 9.004 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.713 4.884 9.771 1.00 13.90 H new ATOM 718 N PHE A 45 2.132 3.105 7.021 1.00 6.75 N ATOM 719 CA PHE A 45 3.322 2.459 7.476 1.00 4.70 C ATOM 720 C PHE A 45 4.084 3.380 8.347 1.00 6.34 C ATOM 721 O PHE A 45 4.204 4.600 8.035 1.00 5.45 O ATOM 722 CB PHE A 45 4.216 1.999 6.279 1.00 5.51 C ATOM 723 CG PHE A 45 5.551 1.308 6.611 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.622 0.236 7.545 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.747 1.988 6.208 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.845 -0.269 7.938 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.975 1.457 6.588 1.00 6.64 C ATOM 728 CZ PHE A 45 8.015 0.319 7.462 1.00 6.84 C ATOM 0 H PHE A 45 2.252 4.105 6.862 1.00 6.75 H new ATOM 0 HA PHE A 45 3.033 1.572 8.039 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.629 1.317 5.664 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.434 2.874 5.667 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.713 -0.185 7.949 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.696 2.894 5.622 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.895 -1.114 8.609 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.893 1.898 6.228 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.971 -0.089 7.756 1.00 6.84 H new ATOM 738 N ALA A 46 4.625 2.899 9.517 1.00 6.53 N ATOM 739 CA ALA A 46 5.569 3.624 10.355 1.00 7.15 C ATOM 740 C ALA A 46 4.875 4.704 11.162 1.00 9.00 C ATOM 741 O ALA A 46 5.531 5.672 11.594 1.00 11.15 O ATOM 742 CB ALA A 46 6.878 4.018 9.562 1.00 8.99 C ATOM 0 H ALA A 46 4.394 1.976 9.886 1.00 6.53 H new ATOM 0 HA ALA A 46 5.964 2.966 11.129 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.556 4.557 10.224 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.368 3.115 9.198 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.614 4.654 8.717 1.00 8.99 H new ATOM 748 N GLY A 47 3.496 4.534 11.344 1.00 9.35 N ATOM 749 CA GLY A 47 2.590 5.456 11.903 1.00 11.68 C ATOM 750 C GLY A 47 2.208 6.520 10.903 1.00 11.14 C ATOM 751 O GLY A 47 1.490 7.456 11.211 1.00 13.93 O ATOM 0 H GLY A 47 3.031 3.671 11.063 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.696 4.932 12.240 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.037 5.922 12.781 1.00 11.68 H new ATOM 755 N LYS A 48 2.761 6.426 9.709 1.00 10.47 N ATOM 756 CA LYS A 48 2.699 7.483 8.699 1.00 8.82 C ATOM 757 C LYS A 48 1.829 7.124 7.492 1.00 7.68 C ATOM 758 O LYS A 48 1.789 5.995 7.046 1.00 6.47 O ATOM 759 CB LYS A 48 4.141 7.868 8.246 1.00 9.74 C ATOM 760 CG LYS A 48 5.077 8.482 9.285 1.00 14.14 C ATOM 761 CD LYS A 48 6.313 9.213 8.818 1.00 16.32 C ATOM 762 CE LYS A 48 7.487 8.403 8.234 1.00 20.04 C ATOM 763 NZ LYS A 48 8.477 9.406 7.766 1.00 23.92 N ATOM 0 H LYS A 48 3.277 5.601 9.401 1.00 10.47 H new ATOM 0 HA LYS A 48 2.218 8.341 9.169 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.619 6.970 7.854 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.055 8.571 7.417 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.491 9.178 9.885 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.400 7.681 9.950 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.002 9.934 8.061 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.696 9.784 9.664 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.922 7.746 8.987 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.154 7.769 7.412 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.300 8.918 7.358 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.041 10.013 7.043 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.785 9.991 8.569 1.00 23.92 H new ATOM 777 N GLN A 49 1.018 8.095 6.980 1.00 8.89 N ATOM 778 CA GLN A 49 0.172 7.822 5.774 1.00 7.18 C ATOM 779 C GLN A 49 1.126 7.949 4.556 1.00 8.23 C ATOM 780 O GLN A 49 2.078 8.736 4.577 1.00 9.70 O ATOM 781 CB GLN A 49 -0.985 8.812 5.562 1.00 11.67 C ATOM 782 CG GLN A 49 -2.055 8.879 6.666 1.00 15.82 C ATOM 783 CD GLN A 49 -3.090 9.910 6.297 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.265 9.482 6.078 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.774 11.212 6.205 1.00 20.67 N ATOM 0 H GLN A 49 0.931 9.037 7.362 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.288 6.842 5.901 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.561 9.809 5.440 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.480 8.559 4.624 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.526 7.904 6.791 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.594 9.136 7.620 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.819 11.519 6.388 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.489 11.894 5.952 1.00 20.67 H new ATOM 794 N LEU A 50 0.941 7.120 3.544 1.00 6.51 N ATOM 795 CA LEU A 50 1.754 7.045 2.368 1.00 7.41 C ATOM 796 C LEU A 50 1.070 7.650 1.144 1.00 8.27 C ATOM 797 O LEU A 50 -0.121 7.451 0.842 1.00 8.34 O ATOM 798 CB LEU A 50 2.161 5.615 1.966 1.00 7.13 C ATOM 799 CG LEU A 50 2.661 4.748 3.097 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.137 3.405 2.533 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.691 5.333 4.019 1.00 9.11 C ATOM 0 H LEU A 50 0.173 6.448 3.531 1.00 6.51 H new ATOM 0 HA LEU A 50 2.641 7.611 2.652 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.302 5.126 1.506 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.939 5.676 1.205 1.00 7.13 H new ATOM 0 HG LEU A 50 1.796 4.634 3.750 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.499 2.776 3.347 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.308 2.907 2.031 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.944 3.575 1.820 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.956 4.600 4.781 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.580 5.601 3.448 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.286 6.224 4.498 1.00 9.11 H new ATOM 813 N GLU A 51 1.781 8.504 0.434 1.00 9.43 N ATOM 814 CA GLU A 51 1.243 9.217 -0.725 1.00 11.90 C ATOM 815 C GLU A 51 1.535 8.582 -2.056 1.00 11.49 C ATOM 816 O GLU A 51 2.607 8.033 -2.223 1.00 9.88 O ATOM 817 CB GLU A 51 1.859 10.647 -0.976 1.00 16.56 C ATOM 818 CG GLU A 51 1.572 11.641 0.171 1.00 26.06 C ATOM 819 CD GLU A 51 0.244 12.355 0.047 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.789 11.653 -0.007 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.150 13.595 -0.070 1.00 32.13 O ATOM 0 H GLU A 51 2.754 8.729 0.640 1.00 9.43 H new ATOM 0 HA GLU A 51 0.189 9.220 -0.446 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.937 10.554 -1.106 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.459 11.050 -1.906 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.597 11.103 1.119 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.370 12.383 0.204 1.00 26.06 H new ATOM 828 N ASP A 52 0.529 8.682 -2.992 1.00 12.71 N ATOM 829 CA ASP A 52 0.407 8.050 -4.208 1.00 16.56 C ATOM 830 C ASP A 52 1.679 8.171 -5.085 1.00 15.83 C ATOM 831 O ASP A 52 2.119 7.153 -5.567 1.00 17.21 O ATOM 832 CB ASP A 52 -0.758 8.740 -4.986 1.00 21.05 C ATOM 833 CG ASP A 52 -2.066 8.935 -4.164 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.027 9.572 -3.104 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.199 8.534 -4.612 1.00 25.82 O ATOM 0 H ASP A 52 -0.268 9.295 -2.821 1.00 12.71 H new ATOM 0 HA ASP A 52 0.230 6.992 -4.013 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.416 9.714 -5.335 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.987 8.147 -5.871 1.00 21.05 H new ATOM 840 N GLY A 53 2.229 9.389 -5.311 1.00 15.00 N ATOM 841 CA GLY A 53 3.290 9.700 -6.255 1.00 11.77 C ATOM 842 C GLY A 53 4.694 9.556 -5.705 1.00 11.10 C ATOM 843 O GLY A 53 5.691 9.757 -6.390 1.00 11.25 O ATOM 0 H GLY A 53 1.915 10.216 -4.803 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.187 9.049 -7.123 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.156 10.723 -6.606 1.00 11.77 H new ATOM 847 N ARG A 54 4.742 9.079 -4.440 1.00 8.53 N ATOM 848 CA ARG A 54 5.980 8.857 -3.661 1.00 9.05 C ATOM 849 C ARG A 54 6.310 7.433 -3.902 1.00 8.96 C ATOM 850 O ARG A 54 5.473 6.577 -4.145 1.00 11.60 O ATOM 851 CB ARG A 54 5.767 9.165 -2.174 1.00 7.97 C ATOM 852 CG ARG A 54 5.802 10.645 -1.717 1.00 9.62 C ATOM 853 CD ARG A 54 7.243 11.105 -1.728 1.00 12.20 C ATOM 854 NE ARG A 54 7.241 12.442 -1.048 1.00 18.23 N ATOM 855 CZ ARG A 54 6.930 13.599 -1.627 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.604 13.746 -2.936 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.622 14.669 -0.812 1.00 23.38 N ATOM 0 H ARG A 54 3.900 8.832 -3.921 1.00 8.53 H new ATOM 0 HA ARG A 54 6.793 9.516 -3.964 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.802 8.750 -1.884 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.528 8.625 -1.611 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.200 11.263 -2.383 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.378 10.745 -0.718 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.885 10.398 -1.202 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.622 11.183 -2.747 1.00 12.20 H new ATOM 0 HE ARG A 54 7.499 12.466 -0.061 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.585 12.933 -3.551 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.377 14.670 -3.305 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.637 14.559 0.202 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.379 15.570 -1.223 1.00 23.38 H new ATOM 871 N THR A 55 7.644 7.166 -3.811 1.00 9.05 N ATOM 872 CA THR A 55 8.193 5.844 -3.932 1.00 9.03 C ATOM 873 C THR A 55 8.353 5.166 -2.566 1.00 8.15 C ATOM 874 O THR A 55 8.515 5.730 -1.455 1.00 5.91 O ATOM 875 CB THR A 55 9.559 5.711 -4.665 1.00 11.15 C ATOM 876 OG1 THR A 55 10.609 6.337 -3.954 1.00 11.95 O ATOM 877 CG2 THR A 55 9.393 6.433 -5.959 1.00 11.71 C ATOM 0 H THR A 55 8.347 7.887 -3.650 1.00 9.05 H new ATOM 0 HA THR A 55 7.447 5.356 -4.559 1.00 9.03 H new ATOM 0 HB THR A 55 9.816 4.657 -4.775 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.552 7.308 -4.074 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.321 6.379 -6.528 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.589 5.972 -6.532 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.147 7.477 -5.764 1.00 11.71 H new ATOM 885 N LEU A 56 8.343 3.831 -2.609 1.00 6.91 N ATOM 886 CA LEU A 56 8.765 2.959 -1.553 1.00 8.29 C ATOM 887 C LEU A 56 10.161 3.241 -0.971 1.00 8.05 C ATOM 888 O LEU A 56 10.377 3.170 0.248 1.00 10.17 O ATOM 889 CB LEU A 56 8.697 1.454 -1.994 1.00 6.60 C ATOM 890 CG LEU A 56 7.361 0.879 -2.376 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.404 -0.490 -2.980 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.411 0.926 -1.226 1.00 8.64 C ATOM 0 H LEU A 56 8.021 3.321 -3.431 1.00 6.91 H new ATOM 0 HA LEU A 56 8.053 3.168 -0.754 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.368 1.327 -2.843 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.097 0.851 -1.179 1.00 6.60 H new ATOM 0 HG LEU A 56 6.999 1.524 -3.177 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.391 -0.814 -3.220 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.003 -0.467 -3.890 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.849 -1.187 -2.270 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.452 0.504 -1.528 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.816 0.348 -0.396 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.270 1.960 -0.913 1.00 8.64 H new ATOM 904 N SER A 57 11.152 3.602 -1.850 1.00 8.92 N ATOM 905 CA SER A 57 12.462 4.119 -1.467 1.00 9.00 C ATOM 906 C SER A 57 12.507 5.484 -0.845 1.00 9.44 C ATOM 907 O SER A 57 13.296 5.772 0.083 1.00 10.91 O ATOM 908 CB SER A 57 13.545 4.004 -2.550 1.00 10.32 C ATOM 909 OG SER A 57 14.874 4.251 -1.961 1.00 13.59 O ATOM 0 H SER A 57 11.035 3.531 -2.861 1.00 8.92 H new ATOM 0 HA SER A 57 12.698 3.421 -0.664 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.516 3.012 -3.001 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.352 4.722 -3.347 1.00 10.32 H new ATOM 0 HG SER A 57 15.560 4.174 -2.657 1.00 13.59 H new ATOM 915 N ASP A 58 11.583 6.392 -1.185 1.00 9.11 N ATOM 916 CA ASP A 58 11.424 7.691 -0.468 1.00 7.91 C ATOM 917 C ASP A 58 11.019 7.474 1.011 1.00 9.12 C ATOM 918 O ASP A 58 11.321 8.260 1.906 1.00 8.61 O ATOM 919 CB ASP A 58 10.302 8.494 -1.095 1.00 8.41 C ATOM 920 CG ASP A 58 10.653 9.107 -2.457 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.595 9.963 -2.482 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.915 8.826 -3.498 1.00 11.70 O ATOM 0 H ASP A 58 10.925 6.262 -1.954 1.00 9.11 H new ATOM 0 HA ASP A 58 12.383 8.206 -0.533 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.431 7.850 -1.213 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.017 9.294 -0.412 1.00 8.41 H new ATOM 927 N TYR A 59 10.252 6.390 1.257 1.00 7.97 N ATOM 928 CA TYR A 59 9.823 6.041 2.600 1.00 8.45 C ATOM 929 C TYR A 59 10.749 4.976 3.231 1.00 10.98 C ATOM 930 O TYR A 59 10.578 4.568 4.399 1.00 12.95 O ATOM 931 CB TYR A 59 8.365 5.491 2.675 1.00 7.94 C ATOM 932 CG TYR A 59 7.321 6.630 2.455 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.127 7.558 3.463 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.626 6.701 1.210 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.122 8.524 3.268 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.678 7.695 1.031 1.00 6.52 C ATOM 937 CZ TYR A 59 5.464 8.666 2.032 1.00 6.76 C ATOM 938 OH TYR A 59 4.393 9.574 1.879 1.00 7.63 O ATOM 0 H TYR A 59 9.925 5.750 0.533 1.00 7.97 H new ATOM 0 HA TYR A 59 9.870 6.981 3.150 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.226 4.716 1.921 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.199 5.024 3.646 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.723 7.542 4.364 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.836 5.993 0.422 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.849 9.172 4.087 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.099 7.727 0.120 1.00 6.52 H new ATOM 0 HH TYR A 59 4.677 10.323 1.314 1.00 7.63 H new ATOM 948 N ASN A 60 11.827 4.551 2.540 1.00 12.38 N ATOM 949 CA ASN A 60 12.821 3.608 3.015 1.00 13.94 C ATOM 950 C ASN A 60 12.267 2.225 3.342 1.00 14.16 C ATOM 951 O ASN A 60 12.783 1.495 4.218 1.00 14.26 O ATOM 952 CB ASN A 60 13.804 4.074 4.138 1.00 19.23 C ATOM 953 CG ASN A 60 14.303 5.469 3.753 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.097 6.470 4.413 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.850 5.669 2.529 1.00 24.09 N ATOM 0 H ASN A 60 12.023 4.880 1.595 1.00 12.38 H new ATOM 0 HA ASN A 60 13.441 3.547 2.121 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.300 4.099 5.104 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.639 3.379 4.231 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.063 6.616 2.214 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.049 4.873 1.923 1.00 24.09 H new ATOM 962 N ILE A 61 11.262 1.786 2.552 1.00 11.08 N ATOM 963 CA ILE A 61 10.596 0.512 2.833 1.00 11.78 C ATOM 964 C ILE A 61 11.425 -0.608 2.255 1.00 13.74 C ATOM 965 O ILE A 61 11.707 -0.570 1.099 1.00 14.60 O ATOM 966 CB ILE A 61 9.238 0.535 2.164 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.320 1.424 3.023 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.652 -0.858 1.879 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.118 1.874 2.191 1.00 11.42 C ATOM 0 H ILE A 61 10.907 2.286 1.737 1.00 11.08 H new ATOM 0 HA ILE A 61 10.483 0.362 3.907 1.00 11.78 H new ATOM 0 HB ILE A 61 9.337 0.957 1.164 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.982 0.874 3.901 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.871 2.292 3.384 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.679 -0.752 1.399 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.324 -1.407 1.219 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.537 -1.403 2.816 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.469 2.503 2.800 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.465 2.440 1.327 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.562 1.000 1.852 1.00 11.42 H new ATOM 981 N GLN A 62 11.719 -1.608 3.072 1.00 13.97 N ATOM 982 CA GLN A 62 12.495 -2.787 2.721 1.00 15.52 C ATOM 983 C GLN A 62 11.618 -4.049 2.357 1.00 13.94 C ATOM 984 O GLN A 62 10.367 -4.016 2.439 1.00 12.15 O ATOM 985 CB GLN A 62 13.434 -3.211 3.963 1.00 19.53 C ATOM 986 CG GLN A 62 14.349 -2.201 4.699 1.00 26.38 C ATOM 987 CD GLN A 62 15.293 -1.441 3.817 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.159 -2.014 3.129 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.150 -0.096 3.763 1.00 32.71 N ATOM 0 H GLN A 62 11.408 -1.620 4.043 1.00 13.97 H new ATOM 0 HA GLN A 62 13.068 -2.503 1.838 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.776 -3.643 4.717 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.080 -4.013 3.606 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.721 -1.488 5.233 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.929 -2.739 5.448 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.438 0.364 4.330 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.754 0.457 3.155 1.00 32.71 H new ATOM 998 N LYS A 63 12.273 -5.114 1.994 1.00 11.73 N ATOM 999 CA LYS A 63 11.751 -6.446 1.837 1.00 11.97 C ATOM 1000 C LYS A 63 11.218 -6.975 3.117 1.00 10.41 C ATOM 1001 O LYS A 63 11.737 -6.660 4.211 1.00 9.59 O ATOM 1002 CB LYS A 63 12.853 -7.395 1.280 1.00 13.73 C ATOM 1003 CG LYS A 63 14.085 -7.469 2.168 1.00 16.98 C ATOM 1004 CD LYS A 63 15.164 -8.372 1.544 1.00 20.19 C ATOM 1005 CE LYS A 63 16.553 -8.205 2.206 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.520 -8.590 3.595 1.00 25.97 N ATOM 0 H LYS A 63 13.270 -5.072 1.782 1.00 11.73 H new ATOM 0 HA LYS A 63 10.927 -6.399 1.125 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.437 -8.396 1.163 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.148 -7.055 0.287 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.488 -6.468 2.320 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.807 -7.854 3.149 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.851 -9.413 1.628 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.246 -8.148 0.480 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.287 -8.812 1.675 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.876 -7.168 2.121 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.479 -8.532 3.994 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.888 -7.950 4.118 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.170 -9.566 3.677 1.00 25.97 H new ATOM 1020 N GLU A 64 10.128 -7.811 2.987 1.00 10.04 N ATOM 1021 CA GLU A 64 9.470 -8.424 4.112 1.00 10.94 C ATOM 1022 C GLU A 64 8.949 -7.441 5.214 1.00 9.74 C ATOM 1023 O GLU A 64 8.551 -7.823 6.331 1.00 9.42 O ATOM 1024 CB GLU A 64 10.523 -9.438 4.559 1.00 18.31 C ATOM 1025 CG GLU A 64 10.918 -10.505 3.510 1.00 24.16 C ATOM 1026 CD GLU A 64 11.864 -11.453 4.183 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.496 -12.096 5.162 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.956 -11.647 3.562 1.00 32.61 O ATOM 0 H GLU A 64 9.713 -8.053 2.087 1.00 10.04 H new ATOM 0 HA GLU A 64 8.514 -8.883 3.859 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.421 -8.895 4.853 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.154 -9.949 5.448 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.036 -11.033 3.147 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.390 -10.039 2.645 1.00 24.16 H new ATOM 1035 N SER A 65 8.769 -6.264 4.712 1.00 6.85 N ATOM 1036 CA SER A 65 8.208 -5.147 5.433 1.00 6.90 C ATOM 1037 C SER A 65 6.747 -5.070 5.233 1.00 4.72 C ATOM 1038 O SER A 65 6.267 -5.456 4.187 1.00 3.91 O ATOM 1039 CB SER A 65 8.975 -3.771 5.253 1.00 7.28 C ATOM 1040 OG SER A 65 8.863 -2.920 6.398 1.00 10.56 O ATOM 0 H SER A 65 9.016 -6.035 3.749 1.00 6.85 H new ATOM 0 HA SER A 65 8.373 -5.353 6.491 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.028 -3.970 5.056 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.580 -3.252 4.380 1.00 7.28 H new ATOM 0 HG SER A 65 9.354 -2.087 6.236 1.00 10.56 H new ATOM 1046 N THR A 66 5.996 -4.516 6.195 1.00 4.48 N ATOM 1047 CA THR A 66 4.542 -4.662 6.310 1.00 3.80 C ATOM 1048 C THR A 66 3.966 -3.282 6.312 1.00 4.60 C ATOM 1049 O THR A 66 4.335 -2.327 6.978 1.00 5.33 O ATOM 1050 CB THR A 66 4.081 -5.300 7.610 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.678 -6.555 7.912 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.591 -5.504 7.762 1.00 3.40 C ATOM 0 H THR A 66 6.396 -3.938 6.934 1.00 4.48 H new ATOM 0 HA THR A 66 4.221 -5.300 5.486 1.00 3.80 H new ATOM 0 HB THR A 66 4.418 -4.533 8.307 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.325 -6.889 8.763 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.384 -5.966 8.727 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.084 -4.541 7.704 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.229 -6.153 6.964 1.00 3.40 H new ATOM 1060 N LEU A 67 2.976 -3.204 5.388 1.00 4.17 N ATOM 1061 CA LEU A 67 2.094 -2.075 5.195 1.00 3.85 C ATOM 1062 C LEU A 67 0.690 -2.413 5.688 1.00 3.80 C ATOM 1063 O LEU A 67 0.147 -3.516 5.458 1.00 5.54 O ATOM 1064 CB LEU A 67 1.977 -1.740 3.690 1.00 7.18 C ATOM 1065 CG LEU A 67 3.330 -1.589 2.957 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.141 -1.344 1.443 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.254 -0.548 3.568 1.00 11.66 C ATOM 0 H LEU A 67 2.780 -3.968 4.741 1.00 4.17 H new ATOM 0 HA LEU A 67 2.508 -1.232 5.749 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.399 -2.524 3.201 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.414 -0.813 3.580 1.00 7.18 H new ATOM 0 HG LEU A 67 3.831 -2.548 3.090 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.116 -1.244 0.966 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.606 -2.185 1.002 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.567 -0.430 1.291 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.181 -0.504 2.996 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.768 0.427 3.547 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.477 -0.820 4.600 1.00 11.66 H new ATOM 1079 N HIS A 68 0.114 -1.480 6.451 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.254 -1.614 6.959 1.00 4.17 C ATOM 1081 C HIS A 68 -2.202 -0.975 5.971 1.00 5.32 C ATOM 1082 O HIS A 68 -1.995 0.185 5.566 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.456 -1.185 8.415 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.836 -1.320 8.937 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -3.676 -2.423 8.835 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.555 -0.433 9.679 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.826 -2.117 9.443 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.788 -0.965 9.995 1.00 16.30 N ATOM 0 H HIS A 68 0.579 -0.617 6.732 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.487 -2.677 7.025 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.789 -1.775 9.044 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.150 -0.144 8.514 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -3.454 -3.307 8.378 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -3.210 0.546 9.977 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -5.688 -2.768 9.465 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.320 -1.616 5.565 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.290 -1.118 4.641 1.00 3.97 C ATOM 1098 C LEU A 69 -5.673 -0.905 5.256 1.00 5.07 C ATOM 1099 O LEU A 69 -6.282 -1.810 5.904 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.411 -2.176 3.482 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.570 -2.035 2.462 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.685 -0.660 1.801 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.342 -3.151 1.415 1.00 9.96 C ATOM 0 H LEU A 69 -3.557 -2.546 5.910 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.954 -0.141 4.294 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.475 -2.162 2.923 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.493 -3.161 3.941 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.521 -2.135 2.985 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.524 -0.660 1.105 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.848 0.099 2.566 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.765 -0.438 1.261 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.128 -3.109 0.661 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.373 -3.009 0.937 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.364 -4.123 1.908 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.161 0.289 5.117 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.403 0.745 5.803 1.00 6.26 C ATOM 1117 C VAL A 70 -8.224 1.392 4.723 1.00 9.22 C ATOM 1118 O VAL A 70 -7.833 2.320 4.017 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.015 1.760 6.831 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.433 0.995 8.015 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.836 2.730 6.318 1.00 8.54 C ATOM 0 H VAL A 70 -5.731 1.003 4.529 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.950 -0.059 6.295 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.896 2.356 7.068 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.135 1.699 8.792 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.184 0.313 8.412 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.563 0.426 7.688 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.590 3.449 7.100 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.953 2.136 6.081 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.165 3.263 5.426 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.474 0.893 4.494 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.330 1.272 3.421 1.00 16.06 C ATOM 1133 C LEU A 71 -11.288 2.405 3.741 1.00 18.09 C ATOM 1134 O LEU A 71 -12.131 2.247 4.623 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.242 0.035 2.947 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.481 -1.285 2.590 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.421 -2.396 2.144 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.408 -0.995 1.496 1.00 19.57 C ATOM 0 H LEU A 71 -9.894 0.188 5.100 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.639 1.606 2.647 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.959 -0.186 3.738 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.816 0.347 2.074 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.989 -1.639 3.496 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.843 -3.289 1.908 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.125 -2.621 2.945 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.970 -2.075 1.259 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.880 -1.917 1.250 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.896 -0.607 0.602 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.697 -0.259 1.870 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.134 3.411 2.949 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.765 4.660 3.118 1.00 25.83 C ATOM 1152 C ARG A 72 -13.304 4.609 3.146 1.00 27.74 C ATOM 1153 O ARG A 72 -14.036 4.220 2.208 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.320 5.554 1.888 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.339 7.053 2.242 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.853 8.035 1.201 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.238 9.437 1.752 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.806 10.638 1.262 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.028 10.751 0.163 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.083 11.681 2.099 1.00 35.02 N ATOM 0 H ARG A 72 -10.532 3.375 2.126 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.465 5.053 4.090 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.317 5.267 1.572 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.985 5.370 1.044 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.363 7.322 2.502 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.736 7.192 3.139 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.776 7.952 1.054 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.322 7.849 0.235 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.870 9.463 2.552 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.736 9.915 -0.343 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.733 11.672 -0.161 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.564 11.512 2.982 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.808 12.629 1.841 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.874 5.092 4.310 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.329 5.175 4.399 1.00 30.76 C ATOM 1176 C LEU A 73 -15.693 6.533 3.790 1.00 32.18 C ATOM 1177 O LEU A 73 -14.971 7.550 3.779 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.738 5.134 5.905 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.542 3.748 6.556 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.396 3.798 8.022 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.771 2.874 6.195 1.00 29.11 C ATOM 0 H LEU A 73 -13.361 5.404 5.134 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.834 4.358 3.884 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.151 5.871 6.453 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.784 5.426 5.998 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.612 3.331 6.171 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.262 2.788 8.409 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.528 4.404 8.281 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.290 4.239 8.462 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.659 1.887 6.643 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.677 3.345 6.576 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.842 2.775 5.112 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.943 6.556 3.249 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.534 7.756 2.580 1.00 35.33 C ATOM 1195 C ARG A 74 -17.574 9.101 3.402 1.00 36.22 C ATOM 1196 O ARG A 74 -17.505 10.192 2.793 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.870 7.395 1.937 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.802 6.939 0.442 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.404 8.033 -0.534 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.377 7.450 -1.901 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.703 8.063 -2.908 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.141 9.257 -2.678 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.667 7.625 -4.132 1.00 41.93 N ATOM 0 H ARG A 74 -17.568 5.750 3.263 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.816 8.020 1.803 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.329 6.597 2.521 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.530 8.260 2.004 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.090 6.118 0.358 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.776 6.547 0.151 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.113 8.860 -0.488 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.426 8.437 -0.274 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.872 6.577 -2.085 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.223 9.691 -1.758 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.631 9.732 -3.422 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.165 6.771 -4.383 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.140 8.135 -4.841 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.718 9.084 4.724 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.656 10.353 5.499 1.00 36.07 C ATOM 1219 C GLY A 75 -16.279 10.808 5.794 1.00 36.16 C ATOM 1220 O GLY A 75 -16.127 11.865 6.330 1.00 36.26 O ATOM 0 H GLY A 75 -17.874 8.244 5.281 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.175 11.133 4.942 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.194 10.221 6.438 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.187 10.053 5.448 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.822 10.460 5.765 1.00 36.19 C ATOM 1226 C GLY A 76 -13.038 10.371 4.437 1.00 36.20 C ATOM 1227 O GLY A 76 -11.971 9.747 4.357 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.472 10.976 3.469 1.00 0.00 O ATOM 0 H GLY A 76 -15.251 9.165 4.951 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.799 11.473 6.166 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.385 9.808 6.522 1.00 36.19 H new TER 1232 GLY A 76