USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 487 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 24 MET CE :methyl -115:sc= -0.46 (180deg=-3.45!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.448 K(o=-0.45,f=-7.4!) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc=-0.00483 (180deg=-0.136) USER MOD Single : A 11 TYR OH : rot 165:sc= -0.239 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc=-0.00897 X(o=-0.009,f=-0.044) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.109 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0426) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.07 K(o=-1.1,f=-9.2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.139 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.18) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.42! USER MOD Single : A 60 ASN : amide:sc= -9.05! C(o=-9.1!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.651 12.039 -1.187 1.00 0.00 N ATOM 2 CA LEU A 1 6.409 10.944 -0.264 1.00 0.00 C ATOM 3 C LEU A 1 6.929 9.642 -0.876 1.00 0.00 C ATOM 4 O LEU A 1 6.542 9.276 -1.985 1.00 0.00 O ATOM 5 CB LEU A 1 4.932 10.891 0.130 1.00 0.00 C ATOM 6 CG LEU A 1 4.439 12.019 1.040 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.474 12.941 0.296 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.824 11.458 2.323 1.00 0.00 C ATOM 0 H1 LEU A 1 6.298 12.926 -0.774 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.672 12.123 -1.367 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.156 11.854 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 1 6.957 11.101 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.333 10.898 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.743 9.940 0.628 1.00 0.00 H new ATOM 0 HG LEU A 1 5.298 12.623 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.139 13.733 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.981 13.381 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.613 12.367 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.482 12.280 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.979 10.817 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.573 10.877 2.861 1.00 0.00 H new ATOM 20 N LYS A 2 7.798 8.978 -0.128 1.00 0.00 N ATOM 21 CA LYS A 2 8.375 7.725 -0.584 1.00 0.00 C ATOM 22 C LYS A 2 7.876 6.585 0.308 1.00 0.00 C ATOM 23 O LYS A 2 7.696 6.767 1.511 1.00 0.00 O ATOM 24 CB LYS A 2 9.900 7.831 -0.652 1.00 0.00 C ATOM 25 CG LYS A 2 10.336 8.725 -1.814 1.00 0.00 C ATOM 26 CD LYS A 2 11.424 9.705 -1.373 1.00 0.00 C ATOM 27 CE LYS A 2 11.140 11.114 -1.899 1.00 0.00 C ATOM 28 NZ LYS A 2 11.518 12.128 -0.890 1.00 0.00 N ATOM 0 H LYS A 2 8.117 9.284 0.791 1.00 0.00 H new ATOM 0 HA LYS A 2 8.049 7.502 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.282 8.235 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.332 6.837 -0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.707 8.108 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.477 9.277 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.482 9.724 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.394 9.366 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.697 11.284 -2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.082 11.211 -2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.319 13.079 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.968 11.974 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.533 12.045 -0.677 1.00 0.00 H new ATOM 42 N CYS A 3 7.669 5.435 -0.317 1.00 0.00 N ATOM 43 CA CYS A 3 7.195 4.267 0.404 1.00 0.00 C ATOM 44 C CYS A 3 8.006 3.056 -0.059 1.00 0.00 C ATOM 45 O CYS A 3 8.700 3.119 -1.072 1.00 0.00 O ATOM 46 CB CYS A 3 5.692 4.054 0.211 1.00 0.00 C ATOM 47 SG CYS A 3 4.630 4.990 1.371 1.00 0.00 S ATOM 0 H CYS A 3 7.821 5.288 -1.315 1.00 0.00 H new ATOM 0 HA CYS A 3 7.340 4.414 1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.427 4.334 -0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.473 2.991 0.317 1.00 0.00 H new ATOM 52 N ASN A 4 7.893 1.980 0.706 1.00 0.00 N ATOM 53 CA ASN A 4 8.608 0.755 0.388 1.00 0.00 C ATOM 54 C ASN A 4 7.846 -0.005 -0.700 1.00 0.00 C ATOM 55 O ASN A 4 6.643 0.182 -0.867 1.00 0.00 O ATOM 56 CB ASN A 4 8.715 -0.154 1.613 1.00 0.00 C ATOM 57 CG ASN A 4 8.884 0.667 2.893 1.00 0.00 C ATOM 58 OD1 ASN A 4 7.928 1.049 3.547 1.00 0.00 O ATOM 59 ND2 ASN A 4 10.151 0.917 3.211 1.00 0.00 N ATOM 0 H ASN A 4 7.317 1.931 1.546 1.00 0.00 H new ATOM 0 HA ASN A 4 9.609 1.025 0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.821 -0.773 1.690 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.562 -0.830 1.496 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.370 1.459 4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.904 0.567 2.619 1.00 0.00 H new ATOM 66 N LYS A 5 8.581 -0.848 -1.412 1.00 0.00 N ATOM 67 CA LYS A 5 7.991 -1.637 -2.480 1.00 0.00 C ATOM 68 C LYS A 5 7.629 -3.023 -1.942 1.00 0.00 C ATOM 69 O LYS A 5 7.673 -3.256 -0.735 1.00 0.00 O ATOM 70 CB LYS A 5 8.919 -1.673 -3.696 1.00 0.00 C ATOM 71 CG LYS A 5 9.025 -0.291 -4.344 1.00 0.00 C ATOM 72 CD LYS A 5 8.211 -0.229 -5.638 1.00 0.00 C ATOM 73 CE LYS A 5 6.760 0.166 -5.355 1.00 0.00 C ATOM 74 NZ LYS A 5 6.668 1.610 -5.044 1.00 0.00 N ATOM 0 H LYS A 5 9.579 -1.001 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 5 7.066 -1.177 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.909 -2.014 -3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.543 -2.392 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.668 0.469 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.070 -0.064 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.661 0.492 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.237 -1.199 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.138 -0.066 -6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.374 -0.418 -4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.678 1.919 -5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.009 1.779 -4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.252 2.148 -5.716 1.00 0.00 H new ATOM 88 N LEU A 6 7.278 -3.908 -2.864 1.00 0.00 N ATOM 89 CA LEU A 6 6.908 -5.265 -2.499 1.00 0.00 C ATOM 90 C LEU A 6 7.889 -5.790 -1.448 1.00 0.00 C ATOM 91 O LEU A 6 7.477 -6.349 -0.434 1.00 0.00 O ATOM 92 CB LEU A 6 6.810 -6.147 -3.743 1.00 0.00 C ATOM 93 CG LEU A 6 5.723 -7.224 -3.718 1.00 0.00 C ATOM 94 CD1 LEU A 6 5.157 -7.466 -5.119 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.242 -8.513 -3.079 1.00 0.00 C ATOM 0 H LEU A 6 7.242 -3.711 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 6 5.916 -5.281 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.638 -5.505 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.773 -6.634 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 6 4.902 -6.865 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.387 -8.236 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.724 -6.542 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.957 -7.793 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.450 -9.261 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.091 -8.887 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.556 -8.311 -2.055 1.00 0.00 H new ATOM 107 N VAL A 7 9.169 -5.591 -1.728 1.00 0.00 N ATOM 108 CA VAL A 7 10.211 -6.037 -0.820 1.00 0.00 C ATOM 109 C VAL A 7 10.654 -4.866 0.058 1.00 0.00 C ATOM 110 O VAL A 7 11.290 -3.930 -0.424 1.00 0.00 O ATOM 111 CB VAL A 7 11.363 -6.661 -1.611 1.00 0.00 C ATOM 112 CG1 VAL A 7 12.145 -7.655 -0.751 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.852 -7.326 -2.891 1.00 0.00 C ATOM 0 H VAL A 7 9.507 -5.127 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 7 9.831 -6.814 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 7 12.044 -5.860 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.958 -8.083 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.557 -7.140 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.479 -8.451 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.690 -7.762 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.139 -8.110 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.361 -6.581 -3.517 1.00 0.00 H new ATOM 123 N PRO A 8 10.300 -4.955 1.332 1.00 0.00 N ATOM 124 CA PRO A 8 10.664 -3.881 2.311 1.00 0.00 C ATOM 125 C PRO A 8 12.170 -3.532 2.572 1.00 0.00 C ATOM 126 O PRO A 8 12.486 -2.791 3.502 1.00 0.00 O ATOM 127 CB PRO A 8 9.931 -4.339 3.592 1.00 0.00 C ATOM 128 CG PRO A 8 8.877 -5.349 3.132 1.00 0.00 C ATOM 129 CD PRO A 8 9.528 -6.061 1.948 1.00 0.00 C ATOM 0 HA PRO A 8 10.368 -2.918 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.626 -4.793 4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.467 -3.494 4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.624 -6.050 3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.952 -4.853 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.170 -6.883 2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.790 -6.478 1.263 1.00 0.00 H new ATOM 137 N ILE A 9 13.027 -4.089 1.730 1.00 0.00 N ATOM 138 CA ILE A 9 14.456 -3.853 1.853 1.00 0.00 C ATOM 139 C ILE A 9 14.861 -2.706 0.925 1.00 0.00 C ATOM 140 O ILE A 9 16.017 -2.286 0.918 1.00 0.00 O ATOM 141 CB ILE A 9 15.235 -5.147 1.606 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.284 -5.482 0.114 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.661 -6.298 2.434 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.499 -4.834 -0.554 1.00 0.00 C ATOM 0 H ILE A 9 12.760 -4.703 0.960 1.00 0.00 H new ATOM 0 HA ILE A 9 14.705 -3.545 2.869 1.00 0.00 H new ATOM 0 HB ILE A 9 16.263 -4.995 1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.325 -6.563 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.371 -5.136 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 9 15.232 -7.206 2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 9 14.722 -6.050 3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.619 -6.460 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.510 -5.088 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.442 -3.751 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 9 17.411 -5.201 -0.084 1.00 0.00 H new ATOM 156 N ALA A 10 13.886 -2.231 0.164 1.00 0.00 N ATOM 157 CA ALA A 10 14.126 -1.140 -0.766 1.00 0.00 C ATOM 158 C ALA A 10 12.820 -0.378 -0.999 1.00 0.00 C ATOM 159 O ALA A 10 11.763 -0.985 -1.159 1.00 0.00 O ATOM 160 CB ALA A 10 14.718 -1.695 -2.062 1.00 0.00 C ATOM 0 H ALA A 10 12.928 -2.581 0.172 1.00 0.00 H new ATOM 0 HA ALA A 10 14.849 -0.436 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.898 -0.877 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.659 -2.200 -1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.020 -2.404 -2.507 1.00 0.00 H new ATOM 166 N TYR A 11 12.937 0.943 -1.012 1.00 0.00 N ATOM 167 CA TYR A 11 11.778 1.794 -1.223 1.00 0.00 C ATOM 168 C TYR A 11 12.061 2.847 -2.297 1.00 0.00 C ATOM 169 O TYR A 11 13.218 3.153 -2.582 1.00 0.00 O ATOM 170 CB TYR A 11 11.524 2.499 0.111 1.00 0.00 C ATOM 171 CG TYR A 11 12.648 3.444 0.539 1.00 0.00 C ATOM 172 CD1 TYR A 11 13.821 2.933 1.056 1.00 0.00 C ATOM 173 CD2 TYR A 11 12.488 4.809 0.409 1.00 0.00 C ATOM 174 CE1 TYR A 11 14.878 3.824 1.459 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.546 5.699 0.813 1.00 0.00 C ATOM 176 CZ TYR A 11 14.689 5.163 1.318 1.00 0.00 C ATOM 177 OH TYR A 11 15.688 6.004 1.699 1.00 0.00 O ATOM 0 H TYR A 11 13.816 1.444 -0.880 1.00 0.00 H new ATOM 0 HA TYR A 11 10.923 1.204 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.595 3.065 0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.381 1.747 0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.946 1.865 1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.570 5.209 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 11 15.801 3.437 1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.434 6.769 0.717 1.00 0.00 H new ATOM 0 HH TYR A 11 15.524 6.896 1.328 1.00 0.00 H new ATOM 187 N LYS A 12 10.984 3.371 -2.863 1.00 0.00 N ATOM 188 CA LYS A 12 11.101 4.383 -3.899 1.00 0.00 C ATOM 189 C LYS A 12 10.096 5.503 -3.628 1.00 0.00 C ATOM 190 O LYS A 12 9.620 5.656 -2.504 1.00 0.00 O ATOM 191 CB LYS A 12 10.958 3.751 -5.286 1.00 0.00 C ATOM 192 CG LYS A 12 11.956 2.606 -5.472 1.00 0.00 C ATOM 193 CD LYS A 12 12.069 2.210 -6.945 1.00 0.00 C ATOM 194 CE LYS A 12 13.532 2.136 -7.383 1.00 0.00 C ATOM 195 NZ LYS A 12 13.651 1.428 -8.678 1.00 0.00 N ATOM 0 H LYS A 12 10.026 3.114 -2.624 1.00 0.00 H new ATOM 0 HA LYS A 12 12.094 4.833 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.942 3.378 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.120 4.508 -6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.934 2.907 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.640 1.745 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.589 1.244 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.537 2.935 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.942 3.142 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.119 1.619 -6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.651 1.387 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.279 0.462 -8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.107 1.937 -9.403 1.00 0.00 H new ATOM 209 N THR A 13 9.802 6.258 -4.677 1.00 0.00 N ATOM 210 CA THR A 13 8.861 7.360 -4.565 1.00 0.00 C ATOM 211 C THR A 13 7.533 6.997 -5.234 1.00 0.00 C ATOM 212 O THR A 13 7.517 6.331 -6.268 1.00 0.00 O ATOM 213 CB THR A 13 9.520 8.606 -5.161 1.00 0.00 C ATOM 214 OG1 THR A 13 8.499 9.187 -5.968 1.00 0.00 O ATOM 215 CG2 THR A 13 10.632 8.262 -6.154 1.00 0.00 C ATOM 0 H THR A 13 10.199 6.128 -5.608 1.00 0.00 H new ATOM 0 HA THR A 13 8.618 7.569 -3.523 1.00 0.00 H new ATOM 0 HB THR A 13 9.929 9.220 -4.358 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.841 10.002 -6.391 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.066 9.181 -6.547 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.405 7.683 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.218 7.676 -6.975 1.00 0.00 H new ATOM 223 N CYS A 14 6.453 7.452 -4.616 1.00 0.00 N ATOM 224 CA CYS A 14 5.123 7.183 -5.138 1.00 0.00 C ATOM 225 C CYS A 14 4.949 7.974 -6.436 1.00 0.00 C ATOM 226 O CYS A 14 4.841 9.199 -6.412 1.00 0.00 O ATOM 227 CB CYS A 14 4.036 7.518 -4.114 1.00 0.00 C ATOM 228 SG CYS A 14 4.108 6.541 -2.570 1.00 0.00 S ATOM 0 H CYS A 14 6.471 8.005 -3.759 1.00 0.00 H new ATOM 0 HA CYS A 14 5.018 6.118 -5.346 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.108 8.576 -3.861 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.061 7.367 -4.578 1.00 0.00 H new ATOM 233 N PRO A 15 4.925 7.240 -7.539 1.00 0.00 N ATOM 234 CA PRO A 15 4.761 7.875 -8.885 1.00 0.00 C ATOM 235 C PRO A 15 3.626 8.931 -9.123 1.00 0.00 C ATOM 236 O PRO A 15 2.820 9.194 -8.231 1.00 0.00 O ATOM 237 CB PRO A 15 4.634 6.649 -9.817 1.00 0.00 C ATOM 238 CG PRO A 15 4.291 5.468 -8.908 1.00 0.00 C ATOM 239 CD PRO A 15 5.035 5.763 -7.607 1.00 0.00 C ATOM 0 HA PRO A 15 5.609 8.537 -9.060 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.857 6.805 -10.565 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.564 6.470 -10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.216 5.392 -8.743 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.614 4.523 -9.345 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.572 5.276 -6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.072 5.429 -7.641 1.00 0.00 H new ATOM 247 N GLU A 16 3.621 9.486 -10.326 1.00 0.00 N ATOM 248 CA GLU A 16 2.625 10.481 -10.686 1.00 0.00 C ATOM 249 C GLU A 16 1.222 9.876 -10.622 1.00 0.00 C ATOM 250 O GLU A 16 1.006 8.751 -11.073 1.00 0.00 O ATOM 251 CB GLU A 16 2.909 11.063 -12.073 1.00 0.00 C ATOM 252 CG GLU A 16 4.227 11.840 -12.084 1.00 0.00 C ATOM 253 CD GLU A 16 3.974 13.348 -12.128 1.00 0.00 C ATOM 254 OE1 GLU A 16 2.956 13.734 -12.740 1.00 0.00 O ATOM 255 OE2 GLU A 16 4.806 14.080 -11.550 1.00 0.00 O ATOM 0 H GLU A 16 4.290 9.266 -11.063 1.00 0.00 H new ATOM 0 HA GLU A 16 2.679 11.298 -9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.951 10.258 -12.807 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.092 11.722 -12.369 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.808 11.591 -11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.822 11.542 -12.947 1.00 0.00 H new ATOM 262 N GLY A 17 0.304 10.647 -10.059 1.00 0.00 N ATOM 263 CA GLY A 17 -1.072 10.201 -9.931 1.00 0.00 C ATOM 264 C GLY A 17 -1.347 9.670 -8.523 1.00 0.00 C ATOM 265 O GLY A 17 -2.480 9.720 -8.047 1.00 0.00 O ATOM 0 H GLY A 17 0.487 11.579 -9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.748 11.028 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.275 9.420 -10.664 1.00 0.00 H new ATOM 269 N LYS A 18 -0.291 9.172 -7.896 1.00 0.00 N ATOM 270 CA LYS A 18 -0.404 8.632 -6.552 1.00 0.00 C ATOM 271 C LYS A 18 -0.040 9.719 -5.538 1.00 0.00 C ATOM 272 O LYS A 18 0.677 10.663 -5.865 1.00 0.00 O ATOM 273 CB LYS A 18 0.431 7.358 -6.414 1.00 0.00 C ATOM 274 CG LYS A 18 0.344 6.505 -7.682 1.00 0.00 C ATOM 275 CD LYS A 18 -1.107 6.131 -7.991 1.00 0.00 C ATOM 276 CE LYS A 18 -1.174 4.930 -8.937 1.00 0.00 C ATOM 277 NZ LYS A 18 -2.536 4.787 -9.498 1.00 0.00 N ATOM 0 H LYS A 18 0.647 9.131 -8.294 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.432 8.335 -6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.471 7.620 -6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.081 6.781 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.769 7.052 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.938 5.600 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.632 5.898 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.618 6.982 -8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.453 5.055 -9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.898 4.022 -8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.564 3.967 -10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.217 4.646 -8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.786 5.647 -10.027 1.00 0.00 H new ATOM 291 N ASN A 19 -0.550 9.548 -4.327 1.00 0.00 N ATOM 292 CA ASN A 19 -0.288 10.503 -3.263 1.00 0.00 C ATOM 293 C ASN A 19 -0.197 9.760 -1.929 1.00 0.00 C ATOM 294 O ASN A 19 0.702 10.018 -1.131 1.00 0.00 O ATOM 295 CB ASN A 19 -1.415 11.531 -3.156 1.00 0.00 C ATOM 296 CG ASN A 19 -1.227 12.425 -1.927 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.140 12.888 -1.625 1.00 0.00 O ATOM 298 ND2 ASN A 19 -2.344 12.638 -1.238 1.00 0.00 N ATOM 0 H ASN A 19 -1.143 8.763 -4.059 1.00 0.00 H new ATOM 0 HA ASN A 19 0.646 11.016 -3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.439 12.145 -4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.375 11.018 -3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.324 13.220 -0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.221 12.219 -1.547 1.00 0.00 H new ATOM 305 N LEU A 20 -1.140 8.852 -1.728 1.00 0.00 N ATOM 306 CA LEU A 20 -1.179 8.070 -0.503 1.00 0.00 C ATOM 307 C LEU A 20 -0.568 6.691 -0.765 1.00 0.00 C ATOM 308 O LEU A 20 -0.353 6.313 -1.916 1.00 0.00 O ATOM 309 CB LEU A 20 -2.602 8.018 0.055 1.00 0.00 C ATOM 310 CG LEU A 20 -3.232 9.364 0.416 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.730 9.370 0.107 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.945 9.731 1.873 1.00 0.00 C ATOM 0 H LEU A 20 -1.884 8.640 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.577 8.544 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.241 7.526 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.598 7.391 0.946 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.773 10.133 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.153 10.339 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.883 9.187 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.224 8.588 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.404 10.692 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.358 8.965 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.868 9.798 2.026 1.00 0.00 H new ATOM 324 N CYS A 21 -0.308 5.979 0.321 1.00 0.00 N ATOM 325 CA CYS A 21 0.272 4.651 0.223 1.00 0.00 C ATOM 326 C CYS A 21 -0.773 3.635 0.688 1.00 0.00 C ATOM 327 O CYS A 21 -1.582 3.928 1.567 1.00 0.00 O ATOM 328 CB CYS A 21 1.571 4.540 1.024 1.00 0.00 C ATOM 329 SG CYS A 21 3.074 5.075 0.127 1.00 0.00 S ATOM 0 H CYS A 21 -0.488 6.297 1.273 1.00 0.00 H new ATOM 0 HA CYS A 21 0.542 4.445 -0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.474 5.137 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.701 3.504 1.337 1.00 0.00 H new ATOM 334 N TYR A 22 -0.721 2.459 0.079 1.00 0.00 N ATOM 335 CA TYR A 22 -1.653 1.398 0.420 1.00 0.00 C ATOM 336 C TYR A 22 -0.925 0.063 0.591 1.00 0.00 C ATOM 337 O TYR A 22 0.041 -0.217 -0.116 1.00 0.00 O ATOM 338 CB TYR A 22 -2.619 1.290 -0.762 1.00 0.00 C ATOM 339 CG TYR A 22 -2.091 0.444 -1.922 1.00 0.00 C ATOM 340 CD1 TYR A 22 -1.238 1.005 -2.853 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.466 -0.879 -2.039 1.00 0.00 C ATOM 342 CE1 TYR A 22 -0.741 0.209 -3.945 1.00 0.00 C ATOM 343 CE2 TYR A 22 -1.968 -1.674 -3.132 1.00 0.00 C ATOM 344 CZ TYR A 22 -1.130 -1.091 -4.031 1.00 0.00 C ATOM 345 OH TYR A 22 -0.660 -1.843 -5.062 1.00 0.00 O ATOM 0 H TYR A 22 -0.048 2.218 -0.648 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.162 1.621 1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.559 0.862 -0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.842 2.292 -1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.944 2.040 -2.762 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.133 -1.318 -1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.074 0.635 -4.680 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.254 -2.710 -3.236 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.021 -2.752 -4.995 1.00 0.00 H new ATOM 355 N LYS A 23 -1.416 -0.725 1.537 1.00 0.00 N ATOM 356 CA LYS A 23 -0.825 -2.024 1.811 1.00 0.00 C ATOM 357 C LYS A 23 -1.938 -3.045 2.052 1.00 0.00 C ATOM 358 O LYS A 23 -2.696 -2.928 3.013 1.00 0.00 O ATOM 359 CB LYS A 23 0.177 -1.922 2.962 1.00 0.00 C ATOM 360 CG LYS A 23 -0.393 -1.096 4.116 1.00 0.00 C ATOM 361 CD LYS A 23 0.655 -0.885 5.210 1.00 0.00 C ATOM 362 CE LYS A 23 0.259 -1.612 6.496 1.00 0.00 C ATOM 363 NZ LYS A 23 0.792 -0.899 7.680 1.00 0.00 N ATOM 0 H LYS A 23 -2.217 -0.489 2.123 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.254 -2.373 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.431 -2.921 3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.100 -1.466 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.734 -0.130 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.264 -1.601 4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.623 -1.249 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.767 0.181 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.827 -1.679 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.641 -2.633 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.514 -1.406 8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.830 -0.857 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.407 0.067 7.706 1.00 0.00 H new ATOM 377 N MET A 24 -2.000 -4.026 1.163 1.00 0.00 N ATOM 378 CA MET A 24 -3.007 -5.068 1.267 1.00 0.00 C ATOM 379 C MET A 24 -2.461 -6.286 2.014 1.00 0.00 C ATOM 380 O MET A 24 -1.311 -6.674 1.817 1.00 0.00 O ATOM 381 CB MET A 24 -3.455 -5.486 -0.135 1.00 0.00 C ATOM 382 CG MET A 24 -4.157 -4.334 -0.854 1.00 0.00 C ATOM 383 SD MET A 24 -4.087 -4.581 -2.620 1.00 0.00 S ATOM 384 CE MET A 24 -5.228 -5.944 -2.787 1.00 0.00 C ATOM 0 H MET A 24 -1.369 -4.121 0.367 1.00 0.00 H new ATOM 0 HA MET A 24 -3.855 -4.673 1.826 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.591 -5.808 -0.715 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.129 -6.340 -0.065 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.195 -4.271 -0.529 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.683 -3.388 -0.592 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.692 -6.826 -3.138 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.684 -6.157 -1.820 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.005 -5.682 -3.505 1.00 0.00 H new ATOM 394 N PHE A 25 -3.311 -6.855 2.854 1.00 0.00 N ATOM 395 CA PHE A 25 -2.928 -8.021 3.632 1.00 0.00 C ATOM 396 C PHE A 25 -4.042 -9.071 3.632 1.00 0.00 C ATOM 397 O PHE A 25 -5.220 -8.730 3.725 1.00 0.00 O ATOM 398 CB PHE A 25 -2.692 -7.545 5.067 1.00 0.00 C ATOM 399 CG PHE A 25 -1.465 -6.648 5.231 1.00 0.00 C ATOM 400 CD1 PHE A 25 -1.571 -5.306 5.036 1.00 0.00 C ATOM 401 CD2 PHE A 25 -0.266 -7.192 5.571 1.00 0.00 C ATOM 402 CE1 PHE A 25 -0.432 -4.473 5.187 1.00 0.00 C ATOM 403 CE2 PHE A 25 0.875 -6.359 5.723 1.00 0.00 C ATOM 404 CZ PHE A 25 0.768 -5.017 5.529 1.00 0.00 C ATOM 0 H PHE A 25 -4.265 -6.531 3.014 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.036 -8.477 3.203 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.574 -7.003 5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.582 -8.415 5.714 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.523 -4.874 4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.181 -8.257 5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.517 -3.408 5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.827 -6.791 5.993 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.635 -4.383 5.646 1.00 0.00 H new ATOM 414 N MET A 26 -3.630 -10.325 3.527 1.00 0.00 N ATOM 415 CA MET A 26 -4.578 -11.426 3.513 1.00 0.00 C ATOM 416 C MET A 26 -5.134 -11.687 4.915 1.00 0.00 C ATOM 417 O MET A 26 -4.526 -11.299 5.910 1.00 0.00 O ATOM 418 CB MET A 26 -3.886 -12.689 2.995 1.00 0.00 C ATOM 419 CG MET A 26 -3.265 -12.447 1.618 1.00 0.00 C ATOM 420 SD MET A 26 -2.060 -13.715 1.261 1.00 0.00 S ATOM 421 CE MET A 26 -3.140 -15.017 0.693 1.00 0.00 C ATOM 0 H MET A 26 -2.652 -10.604 3.451 1.00 0.00 H new ATOM 0 HA MET A 26 -5.407 -11.160 2.857 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.112 -12.999 3.698 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.607 -13.504 2.935 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.043 -12.447 0.854 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.791 -11.466 1.591 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.547 -15.891 0.426 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.840 -15.281 1.486 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.695 -14.675 -0.181 1.00 0.00 H new ATOM 431 N MET A 27 -6.285 -12.342 4.947 1.00 0.00 N ATOM 432 CA MET A 27 -6.931 -12.660 6.209 1.00 0.00 C ATOM 433 C MET A 27 -6.073 -13.618 7.038 1.00 0.00 C ATOM 434 O MET A 27 -6.013 -13.504 8.261 1.00 0.00 O ATOM 435 CB MET A 27 -8.295 -13.299 5.939 1.00 0.00 C ATOM 436 CG MET A 27 -9.373 -12.230 5.750 1.00 0.00 C ATOM 437 SD MET A 27 -10.188 -11.904 7.304 1.00 0.00 S ATOM 438 CE MET A 27 -9.690 -10.210 7.567 1.00 0.00 C ATOM 0 H MET A 27 -6.787 -12.661 4.119 1.00 0.00 H new ATOM 0 HA MET A 27 -7.059 -11.736 6.773 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.238 -13.924 5.048 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.566 -13.951 6.769 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.925 -11.314 5.366 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.101 -12.563 5.011 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.116 -9.847 8.502 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.603 -10.154 7.617 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.047 -9.593 6.742 1.00 0.00 H new ATOM 448 N SER A 28 -5.431 -14.542 6.338 1.00 0.00 N ATOM 449 CA SER A 28 -4.580 -15.520 6.994 1.00 0.00 C ATOM 450 C SER A 28 -3.380 -14.822 7.637 1.00 0.00 C ATOM 451 O SER A 28 -3.474 -14.327 8.760 1.00 0.00 O ATOM 452 CB SER A 28 -4.105 -16.587 6.006 1.00 0.00 C ATOM 453 OG SER A 28 -3.111 -17.436 6.574 1.00 0.00 O ATOM 0 H SER A 28 -5.483 -14.634 5.323 1.00 0.00 H new ATOM 0 HA SER A 28 -5.164 -16.015 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.956 -17.189 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.703 -16.103 5.116 1.00 0.00 H new ATOM 0 HG SER A 28 -2.835 -18.105 5.913 1.00 0.00 H new ATOM 459 N ASP A 29 -2.280 -14.803 6.899 1.00 0.00 N ATOM 460 CA ASP A 29 -1.064 -14.173 7.384 1.00 0.00 C ATOM 461 C ASP A 29 -1.211 -12.653 7.294 1.00 0.00 C ATOM 462 O ASP A 29 -0.661 -12.025 6.391 1.00 0.00 O ATOM 463 CB ASP A 29 0.143 -14.581 6.537 1.00 0.00 C ATOM 464 CG ASP A 29 1.493 -14.497 7.252 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.605 -13.639 8.154 1.00 0.00 O ATOM 466 OD2 ASP A 29 2.383 -15.292 6.881 1.00 0.00 O ATOM 0 H ASP A 29 -2.205 -15.214 5.968 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.907 -14.492 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.005 -15.604 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.178 -13.946 5.652 1.00 0.00 H new ATOM 471 N LEU A 30 -1.957 -12.106 8.243 1.00 0.00 N ATOM 472 CA LEU A 30 -2.184 -10.671 8.283 1.00 0.00 C ATOM 473 C LEU A 30 -0.883 -9.964 8.669 1.00 0.00 C ATOM 474 O LEU A 30 -0.799 -8.738 8.615 1.00 0.00 O ATOM 475 CB LEU A 30 -3.360 -10.340 9.203 1.00 0.00 C ATOM 476 CG LEU A 30 -4.751 -10.671 8.657 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.741 -10.923 9.798 1.00 0.00 C ATOM 478 CD2 LEU A 30 -5.241 -9.578 7.704 1.00 0.00 C ATOM 0 H LEU A 30 -2.412 -12.631 8.990 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.467 -10.302 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.223 -10.876 10.142 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.326 -9.276 9.435 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.681 -11.593 8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.722 -11.156 9.384 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.394 -11.761 10.402 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.813 -10.031 10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.231 -9.838 7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.292 -8.628 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.549 -9.489 6.866 1.00 0.00 H new ATOM 490 N THR A 31 0.099 -10.767 9.050 1.00 0.00 N ATOM 491 CA THR A 31 1.391 -10.234 9.446 1.00 0.00 C ATOM 492 C THR A 31 2.281 -10.025 8.218 1.00 0.00 C ATOM 493 O THR A 31 3.150 -9.155 8.217 1.00 0.00 O ATOM 494 CB THR A 31 1.998 -11.183 10.481 1.00 0.00 C ATOM 495 OG1 THR A 31 2.052 -10.407 11.675 1.00 0.00 O ATOM 496 CG2 THR A 31 3.462 -11.514 10.185 1.00 0.00 C ATOM 0 H THR A 31 0.026 -11.783 9.093 1.00 0.00 H new ATOM 0 HA THR A 31 1.289 -9.251 9.906 1.00 0.00 H new ATOM 0 HB THR A 31 1.417 -12.105 10.512 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.432 -10.947 12.399 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.844 -12.191 10.950 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.537 -11.991 9.208 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.050 -10.596 10.186 1.00 0.00 H new ATOM 504 N ILE A 32 2.032 -10.839 7.202 1.00 0.00 N ATOM 505 CA ILE A 32 2.799 -10.755 5.971 1.00 0.00 C ATOM 506 C ILE A 32 1.916 -10.176 4.863 1.00 0.00 C ATOM 507 O ILE A 32 0.869 -10.737 4.542 1.00 0.00 O ATOM 508 CB ILE A 32 3.408 -12.114 5.624 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.735 -12.324 6.356 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.555 -12.281 4.111 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.677 -13.558 7.257 1.00 0.00 C ATOM 0 H ILE A 32 1.310 -11.560 7.207 1.00 0.00 H new ATOM 0 HA ILE A 32 3.643 -10.076 6.095 1.00 0.00 H new ATOM 0 HB ILE A 32 2.725 -12.891 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.540 -12.437 5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.967 -11.443 6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.991 -13.256 3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.575 -12.208 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.205 -11.498 3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.633 -13.683 7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.887 -13.431 7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.469 -14.441 6.652 1.00 0.00 H new ATOM 523 N PRO A 33 2.371 -9.061 4.310 1.00 0.00 N ATOM 524 CA PRO A 33 1.612 -8.380 3.213 1.00 0.00 C ATOM 525 C PRO A 33 1.388 -9.108 1.842 1.00 0.00 C ATOM 526 O PRO A 33 2.086 -10.069 1.524 1.00 0.00 O ATOM 527 CB PRO A 33 2.380 -7.047 3.057 1.00 0.00 C ATOM 528 CG PRO A 33 3.792 -7.316 3.581 1.00 0.00 C ATOM 529 CD PRO A 33 3.594 -8.352 4.686 1.00 0.00 C ATOM 0 HA PRO A 33 0.565 -8.311 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.404 -6.729 2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.898 -6.250 3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.443 -7.694 2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.253 -6.407 3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.443 -9.032 4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.493 -7.877 5.662 1.00 0.00 H new ATOM 537 N VAL A 34 0.415 -8.607 1.095 1.00 0.00 N ATOM 538 CA VAL A 34 0.095 -9.182 -0.201 1.00 0.00 C ATOM 539 C VAL A 34 0.397 -8.158 -1.296 1.00 0.00 C ATOM 540 O VAL A 34 0.817 -8.523 -2.392 1.00 0.00 O ATOM 541 CB VAL A 34 -1.357 -9.663 -0.216 1.00 0.00 C ATOM 542 CG1 VAL A 34 -2.315 -8.531 0.164 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.724 -10.259 -1.576 1.00 0.00 C ATOM 0 H VAL A 34 -0.162 -7.810 1.362 1.00 0.00 H new ATOM 0 HA VAL A 34 0.715 -10.057 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.456 -10.450 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.340 -8.900 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.076 -8.173 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.211 -7.712 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.761 -10.593 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.599 -9.502 -2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.073 -11.107 -1.789 1.00 0.00 H new ATOM 553 N LYS A 35 0.167 -6.897 -0.962 1.00 0.00 N ATOM 554 CA LYS A 35 0.410 -5.817 -1.903 1.00 0.00 C ATOM 555 C LYS A 35 0.962 -4.604 -1.152 1.00 0.00 C ATOM 556 O LYS A 35 0.478 -4.265 -0.072 1.00 0.00 O ATOM 557 CB LYS A 35 -0.855 -5.516 -2.711 1.00 0.00 C ATOM 558 CG LYS A 35 -1.565 -6.810 -3.119 1.00 0.00 C ATOM 559 CD LYS A 35 -0.780 -7.547 -4.206 1.00 0.00 C ATOM 560 CE LYS A 35 -1.358 -7.257 -5.592 1.00 0.00 C ATOM 561 NZ LYS A 35 -0.613 -6.160 -6.247 1.00 0.00 N ATOM 0 H LYS A 35 -0.185 -6.599 -0.052 1.00 0.00 H new ATOM 0 HA LYS A 35 1.165 -6.111 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.530 -4.897 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.595 -4.943 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.681 -7.455 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.567 -6.580 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.266 -7.243 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.806 -8.620 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.309 -8.155 -6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.410 -6.987 -5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.928 -6.067 -7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.791 -5.269 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.405 -6.371 -6.227 1.00 0.00 H new ATOM 575 N ARG A 36 1.966 -3.983 -1.752 1.00 0.00 N ATOM 576 CA ARG A 36 2.589 -2.814 -1.153 1.00 0.00 C ATOM 577 C ARG A 36 3.026 -1.830 -2.239 1.00 0.00 C ATOM 578 O ARG A 36 3.949 -2.112 -3.002 1.00 0.00 O ATOM 579 CB ARG A 36 3.805 -3.209 -0.312 1.00 0.00 C ATOM 580 CG ARG A 36 3.406 -3.466 1.142 1.00 0.00 C ATOM 581 CD ARG A 36 4.407 -4.399 1.829 1.00 0.00 C ATOM 582 NE ARG A 36 5.358 -3.610 2.642 1.00 0.00 N ATOM 583 CZ ARG A 36 5.129 -3.225 3.904 1.00 0.00 C ATOM 584 NH1 ARG A 36 3.978 -3.554 4.506 1.00 0.00 N ATOM 585 NH2 ARG A 36 6.050 -2.511 4.566 1.00 0.00 N ATOM 0 H ARG A 36 2.364 -4.267 -2.647 1.00 0.00 H new ATOM 0 HA ARG A 36 1.852 -2.340 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.265 -4.104 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.553 -2.417 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.355 -2.520 1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.410 -3.907 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.878 -5.111 2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.949 -4.979 1.082 1.00 0.00 H new ATOM 0 HE ARG A 36 6.244 -3.342 2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.277 -4.098 4.003 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.803 -3.261 5.467 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.927 -2.260 4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.874 -2.218 5.527 1.00 0.00 H new ATOM 599 N GLY A 37 2.343 -0.695 -2.274 1.00 0.00 N ATOM 600 CA GLY A 37 2.649 0.332 -3.254 1.00 0.00 C ATOM 601 C GLY A 37 1.985 1.660 -2.882 1.00 0.00 C ATOM 602 O GLY A 37 1.720 1.918 -1.710 1.00 0.00 O ATOM 0 H GLY A 37 1.579 -0.465 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.729 0.467 -3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.307 0.014 -4.239 1.00 0.00 H new ATOM 606 N CYS A 38 1.737 2.467 -3.904 1.00 0.00 N ATOM 607 CA CYS A 38 1.109 3.761 -3.700 1.00 0.00 C ATOM 608 C CYS A 38 -0.239 3.760 -4.423 1.00 0.00 C ATOM 609 O CYS A 38 -0.484 2.920 -5.288 1.00 0.00 O ATOM 610 CB CYS A 38 2.008 4.906 -4.168 1.00 0.00 C ATOM 611 SG CYS A 38 3.726 4.840 -3.540 1.00 0.00 S ATOM 0 H CYS A 38 1.960 2.249 -4.875 1.00 0.00 H new ATOM 0 HA CYS A 38 0.948 3.926 -2.635 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.034 4.906 -5.258 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.560 5.850 -3.860 1.00 0.00 H new ATOM 616 N ILE A 39 -1.079 4.713 -4.043 1.00 0.00 N ATOM 617 CA ILE A 39 -2.396 4.833 -4.646 1.00 0.00 C ATOM 618 C ILE A 39 -2.885 6.276 -4.510 1.00 0.00 C ATOM 619 O ILE A 39 -2.420 7.014 -3.641 1.00 0.00 O ATOM 620 CB ILE A 39 -3.354 3.800 -4.048 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.442 3.415 -5.053 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.946 4.300 -2.728 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.232 1.991 -5.570 1.00 0.00 C ATOM 0 H ILE A 39 -0.873 5.408 -3.326 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.349 4.611 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.786 2.897 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.422 3.494 -4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.433 4.114 -5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.623 3.547 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.142 4.484 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.495 5.225 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.019 1.743 -6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.262 1.922 -6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.265 1.292 -4.734 1.00 0.00 H new ATOM 635 N ASP A 40 -3.815 6.637 -5.380 1.00 0.00 N ATOM 636 CA ASP A 40 -4.371 7.979 -5.369 1.00 0.00 C ATOM 637 C ASP A 40 -5.464 8.064 -4.302 1.00 0.00 C ATOM 638 O ASP A 40 -5.539 9.044 -3.562 1.00 0.00 O ATOM 639 CB ASP A 40 -5.002 8.326 -6.720 1.00 0.00 C ATOM 640 CG ASP A 40 -5.793 9.635 -6.746 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.432 10.533 -5.955 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.741 9.709 -7.558 1.00 0.00 O ATOM 0 H ASP A 40 -4.198 6.023 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.561 8.678 -5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.213 8.381 -7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.665 7.512 -7.014 1.00 0.00 H new ATOM 647 N VAL A 41 -6.283 7.024 -4.254 1.00 0.00 N ATOM 648 CA VAL A 41 -7.368 6.969 -3.290 1.00 0.00 C ATOM 649 C VAL A 41 -7.249 5.684 -2.467 1.00 0.00 C ATOM 650 O VAL A 41 -6.518 4.769 -2.842 1.00 0.00 O ATOM 651 CB VAL A 41 -8.714 7.097 -4.006 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.720 7.867 -3.150 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.544 7.755 -5.377 1.00 0.00 C ATOM 0 H VAL A 41 -6.217 6.212 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.304 7.807 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.107 6.092 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.668 7.943 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.874 7.341 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.336 8.867 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.515 7.834 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.118 8.751 -5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.877 7.149 -5.991 1.00 0.00 H new ATOM 663 N CYS A 42 -7.977 5.658 -1.360 1.00 0.00 N ATOM 664 CA CYS A 42 -7.963 4.501 -0.482 1.00 0.00 C ATOM 665 C CYS A 42 -8.789 3.391 -1.136 1.00 0.00 C ATOM 666 O CYS A 42 -9.925 3.618 -1.547 1.00 0.00 O ATOM 667 CB CYS A 42 -8.477 4.846 0.917 1.00 0.00 C ATOM 668 SG CYS A 42 -7.768 3.834 2.267 1.00 0.00 S ATOM 0 H CYS A 42 -8.580 6.420 -1.051 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.938 4.157 -0.346 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.264 5.896 1.118 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.561 4.733 0.928 1.00 0.00 H new ATOM 673 N PRO A 43 -8.184 2.214 -1.212 1.00 0.00 N ATOM 674 CA PRO A 43 -8.869 1.033 -1.826 1.00 0.00 C ATOM 675 C PRO A 43 -10.084 0.360 -1.098 1.00 0.00 C ATOM 676 O PRO A 43 -10.451 0.764 0.004 1.00 0.00 O ATOM 677 CB PRO A 43 -7.697 0.052 -2.053 1.00 0.00 C ATOM 678 CG PRO A 43 -6.422 0.857 -1.797 1.00 0.00 C ATOM 679 CD PRO A 43 -6.828 1.879 -0.737 1.00 0.00 C ATOM 0 HA PRO A 43 -9.407 1.368 -2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.764 -0.800 -1.376 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.711 -0.345 -3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.612 0.218 -1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.070 1.345 -2.706 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.831 1.458 0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.167 2.745 -0.718 1.00 0.00 H new ATOM 687 N LYS A 44 -10.648 -0.641 -1.757 1.00 0.00 N ATOM 688 CA LYS A 44 -11.783 -1.357 -1.202 1.00 0.00 C ATOM 689 C LYS A 44 -11.308 -2.243 -0.048 1.00 0.00 C ATOM 690 O LYS A 44 -10.124 -2.248 0.288 1.00 0.00 O ATOM 691 CB LYS A 44 -12.524 -2.123 -2.301 1.00 0.00 C ATOM 692 CG LYS A 44 -13.311 -1.167 -3.199 1.00 0.00 C ATOM 693 CD LYS A 44 -13.762 -1.869 -4.482 1.00 0.00 C ATOM 694 CE LYS A 44 -14.934 -1.128 -5.129 1.00 0.00 C ATOM 695 NZ LYS A 44 -14.991 -1.414 -6.580 1.00 0.00 N ATOM 0 H LYS A 44 -10.340 -0.973 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.509 -0.657 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.810 -2.687 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.203 -2.847 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.181 -0.790 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.693 -0.305 -3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.929 -1.923 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.055 -2.894 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.868 -1.430 -4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.827 -0.055 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.792 -0.903 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.106 -1.104 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.115 -2.436 -6.728 1.00 0.00 H new ATOM 709 N ASN A 45 -12.254 -2.970 0.526 1.00 0.00 N ATOM 710 CA ASN A 45 -11.946 -3.858 1.635 1.00 0.00 C ATOM 711 C ASN A 45 -12.973 -4.991 1.675 1.00 0.00 C ATOM 712 O ASN A 45 -14.177 -4.746 1.609 1.00 0.00 O ATOM 713 CB ASN A 45 -12.012 -3.114 2.971 1.00 0.00 C ATOM 714 CG ASN A 45 -10.774 -2.237 3.170 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.702 -2.703 3.520 1.00 0.00 O ATOM 716 ND2 ASN A 45 -10.981 -0.945 2.929 1.00 0.00 N ATOM 0 H ASN A 45 -13.234 -2.963 0.245 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.938 -4.246 1.487 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.909 -2.496 3.004 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.089 -3.832 3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.217 -0.278 3.034 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.904 -0.622 2.639 1.00 0.00 H new ATOM 723 N SER A 46 -12.460 -6.208 1.782 1.00 0.00 N ATOM 724 CA SER A 46 -13.318 -7.380 1.831 1.00 0.00 C ATOM 725 C SER A 46 -12.998 -8.210 3.077 1.00 0.00 C ATOM 726 O SER A 46 -12.080 -7.881 3.828 1.00 0.00 O ATOM 727 CB SER A 46 -13.160 -8.232 0.571 1.00 0.00 C ATOM 728 OG SER A 46 -11.813 -8.658 0.380 1.00 0.00 O ATOM 0 H SER A 46 -11.461 -6.408 1.836 1.00 0.00 H new ATOM 0 HA SER A 46 -14.354 -7.044 1.881 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.810 -9.104 0.639 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.486 -7.659 -0.297 1.00 0.00 H new ATOM 0 HG SER A 46 -11.754 -9.201 -0.434 1.00 0.00 H new ATOM 734 N LEU A 47 -13.772 -9.270 3.257 1.00 0.00 N ATOM 735 CA LEU A 47 -13.582 -10.150 4.398 1.00 0.00 C ATOM 736 C LEU A 47 -12.503 -11.182 4.066 1.00 0.00 C ATOM 737 O LEU A 47 -12.275 -12.116 4.835 1.00 0.00 O ATOM 738 CB LEU A 47 -14.915 -10.768 4.825 1.00 0.00 C ATOM 739 CG LEU A 47 -15.969 -9.792 5.352 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.379 -10.361 5.178 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.682 -9.407 6.805 1.00 0.00 C ATOM 0 H LEU A 47 -14.532 -9.540 2.632 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.228 -9.585 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.336 -11.300 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.717 -11.511 5.598 1.00 0.00 H new ATOM 0 HG LEU A 47 -15.915 -8.878 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.109 -9.648 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.570 -10.544 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.464 -11.298 5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.446 -8.713 7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.692 -10.302 7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.703 -8.932 6.869 1.00 0.00 H new ATOM 753 N LEU A 48 -11.868 -10.980 2.922 1.00 0.00 N ATOM 754 CA LEU A 48 -10.817 -11.882 2.479 1.00 0.00 C ATOM 755 C LEU A 48 -9.464 -11.178 2.594 1.00 0.00 C ATOM 756 O LEU A 48 -8.515 -11.733 3.144 1.00 0.00 O ATOM 757 CB LEU A 48 -11.121 -12.409 1.075 1.00 0.00 C ATOM 758 CG LEU A 48 -12.491 -13.065 0.887 1.00 0.00 C ATOM 759 CD1 LEU A 48 -12.796 -13.279 -0.598 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.591 -14.366 1.685 1.00 0.00 C ATOM 0 H LEU A 48 -12.060 -10.205 2.287 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.773 -12.761 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.037 -11.581 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.353 -13.134 0.806 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.250 -12.388 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.775 -13.746 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.795 -12.318 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.036 -13.925 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.574 -14.811 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.822 -15.061 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.448 -14.155 2.745 1.00 0.00 H new ATOM 772 N VAL A 49 -9.419 -9.965 2.062 1.00 0.00 N ATOM 773 CA VAL A 49 -8.197 -9.178 2.097 1.00 0.00 C ATOM 774 C VAL A 49 -8.496 -7.807 2.705 1.00 0.00 C ATOM 775 O VAL A 49 -9.492 -7.174 2.357 1.00 0.00 O ATOM 776 CB VAL A 49 -7.590 -9.092 0.695 1.00 0.00 C ATOM 777 CG1 VAL A 49 -8.684 -9.015 -0.372 1.00 0.00 C ATOM 778 CG2 VAL A 49 -6.632 -7.905 0.585 1.00 0.00 C ATOM 0 H VAL A 49 -10.208 -9.508 1.605 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.451 -9.658 2.730 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.016 -10.002 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.226 -8.955 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -9.310 -9.906 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.297 -8.130 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.214 -7.867 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.173 -6.981 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.825 -8.020 1.309 1.00 0.00 H new ATOM 788 N LYS A 50 -7.615 -7.388 3.602 1.00 0.00 N ATOM 789 CA LYS A 50 -7.773 -6.102 4.261 1.00 0.00 C ATOM 790 C LYS A 50 -6.805 -5.094 3.640 1.00 0.00 C ATOM 791 O LYS A 50 -5.694 -5.453 3.249 1.00 0.00 O ATOM 792 CB LYS A 50 -7.615 -6.254 5.775 1.00 0.00 C ATOM 793 CG LYS A 50 -8.163 -5.028 6.509 1.00 0.00 C ATOM 794 CD LYS A 50 -7.123 -4.455 7.473 1.00 0.00 C ATOM 795 CE LYS A 50 -7.681 -4.372 8.895 1.00 0.00 C ATOM 796 NZ LYS A 50 -6.860 -3.459 9.722 1.00 0.00 N ATOM 0 H LYS A 50 -6.790 -7.916 3.888 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.780 -5.715 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.140 -7.148 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.562 -6.390 6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.452 -4.266 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.063 -5.302 7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.230 -5.081 7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.820 -3.463 7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.712 -4.019 8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.696 -5.365 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.253 -3.414 10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.883 -3.812 9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.867 -2.508 9.301 1.00 0.00 H new ATOM 810 N TYR A 51 -7.259 -3.852 3.568 1.00 0.00 N ATOM 811 CA TYR A 51 -6.447 -2.788 3.002 1.00 0.00 C ATOM 812 C TYR A 51 -6.155 -1.706 4.044 1.00 0.00 C ATOM 813 O TYR A 51 -7.022 -1.360 4.843 1.00 0.00 O ATOM 814 CB TYR A 51 -7.278 -2.179 1.871 1.00 0.00 C ATOM 815 CG TYR A 51 -7.718 -3.188 0.809 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.612 -4.189 1.135 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.223 -3.099 -0.476 1.00 0.00 C ATOM 818 CE1 TYR A 51 -9.025 -5.139 0.136 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.637 -4.048 -1.476 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.518 -5.022 -1.120 1.00 0.00 C ATOM 821 OH TYR A 51 -8.909 -5.920 -2.065 1.00 0.00 O ATOM 0 H TYR A 51 -8.180 -3.558 3.893 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.491 -3.179 2.655 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.163 -1.707 2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.697 -1.392 1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.001 -4.259 2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.524 -2.316 -0.732 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.722 -5.927 0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.257 -3.988 -2.485 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.467 -5.713 -2.915 1.00 0.00 H new ATOM 831 N VAL A 52 -4.930 -1.203 3.999 1.00 0.00 N ATOM 832 CA VAL A 52 -4.513 -0.168 4.930 1.00 0.00 C ATOM 833 C VAL A 52 -3.773 0.932 4.164 1.00 0.00 C ATOM 834 O VAL A 52 -2.769 0.667 3.506 1.00 0.00 O ATOM 835 CB VAL A 52 -3.674 -0.782 6.053 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.766 0.061 7.327 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.091 -2.228 6.321 1.00 0.00 C ATOM 0 H VAL A 52 -4.214 -1.492 3.333 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.380 0.292 5.404 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.633 -0.789 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.161 -0.396 8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.398 1.067 7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.804 0.113 7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.479 -2.640 7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.140 -2.256 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.951 -2.821 5.417 1.00 0.00 H new ATOM 847 N CYS A 53 -4.299 2.142 4.277 1.00 0.00 N ATOM 848 CA CYS A 53 -3.702 3.283 3.603 1.00 0.00 C ATOM 849 C CYS A 53 -2.832 4.035 4.613 1.00 0.00 C ATOM 850 O CYS A 53 -3.071 3.965 5.817 1.00 0.00 O ATOM 851 CB CYS A 53 -4.763 4.190 2.977 1.00 0.00 C ATOM 852 SG CYS A 53 -5.898 3.351 1.812 1.00 0.00 S ATOM 0 H CYS A 53 -5.132 2.358 4.825 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.082 2.937 2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.352 4.641 3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.262 5.003 2.452 1.00 0.00 H new ATOM 857 N CYS A 54 -1.841 4.738 4.084 1.00 0.00 N ATOM 858 CA CYS A 54 -0.935 5.503 4.923 1.00 0.00 C ATOM 859 C CYS A 54 -0.414 6.691 4.112 1.00 0.00 C ATOM 860 O CYS A 54 -0.238 6.587 2.898 1.00 0.00 O ATOM 861 CB CYS A 54 0.205 4.636 5.461 1.00 0.00 C ATOM 862 SG CYS A 54 0.955 3.506 4.233 1.00 0.00 S ATOM 0 H CYS A 54 -1.646 4.794 3.084 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.470 5.870 5.799 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.983 5.289 5.856 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.170 4.045 6.296 1.00 0.00 H new ATOM 867 N ASN A 55 -0.183 7.791 4.813 1.00 0.00 N ATOM 868 CA ASN A 55 0.314 8.996 4.172 1.00 0.00 C ATOM 869 C ASN A 55 1.733 9.283 4.666 1.00 0.00 C ATOM 870 O ASN A 55 2.305 10.326 4.352 1.00 0.00 O ATOM 871 CB ASN A 55 -0.560 10.203 4.518 1.00 0.00 C ATOM 872 CG ASN A 55 -1.191 10.045 5.902 1.00 0.00 C ATOM 873 OD1 ASN A 55 -2.400 10.068 6.068 1.00 0.00 O ATOM 874 ND2 ASN A 55 -0.309 9.885 6.884 1.00 0.00 N ATOM 0 H ASN A 55 -0.331 7.873 5.819 1.00 0.00 H new ATOM 0 HA ASN A 55 0.299 8.836 3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.041 11.112 4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.343 10.316 3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.631 9.772 7.845 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.690 9.875 6.676 1.00 0.00 H new ATOM 881 N THR A 56 2.262 8.339 5.431 1.00 0.00 N ATOM 882 CA THR A 56 3.603 8.478 5.972 1.00 0.00 C ATOM 883 C THR A 56 4.619 7.783 5.062 1.00 0.00 C ATOM 884 O THR A 56 4.249 6.953 4.234 1.00 0.00 O ATOM 885 CB THR A 56 3.595 7.932 7.401 1.00 0.00 C ATOM 886 OG1 THR A 56 3.201 6.571 7.252 1.00 0.00 O ATOM 887 CG2 THR A 56 2.487 8.549 8.257 1.00 0.00 C ATOM 0 H THR A 56 1.786 7.475 5.689 1.00 0.00 H new ATOM 0 HA THR A 56 3.908 9.524 6.010 1.00 0.00 H new ATOM 0 HB THR A 56 4.562 8.122 7.867 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.172 6.141 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.526 8.127 9.261 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.627 9.629 8.311 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.517 8.331 7.809 1.00 0.00 H new ATOM 895 N ASP A 57 5.878 8.149 5.247 1.00 0.00 N ATOM 896 CA ASP A 57 6.950 7.572 4.454 1.00 0.00 C ATOM 897 C ASP A 57 7.257 6.163 4.966 1.00 0.00 C ATOM 898 O ASP A 57 6.951 5.836 6.113 1.00 0.00 O ATOM 899 CB ASP A 57 8.228 8.404 4.566 1.00 0.00 C ATOM 900 CG ASP A 57 8.007 9.910 4.728 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.438 10.291 5.773 1.00 0.00 O ATOM 902 OD2 ASP A 57 8.414 10.646 3.803 1.00 0.00 O ATOM 0 H ASP A 57 6.180 8.839 5.935 1.00 0.00 H new ATOM 0 HA ASP A 57 6.624 7.550 3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.805 8.043 5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.833 8.234 3.675 1.00 0.00 H new ATOM 907 N ARG A 58 7.855 5.367 4.093 1.00 0.00 N ATOM 908 CA ARG A 58 8.207 4.002 4.443 1.00 0.00 C ATOM 909 C ARG A 58 7.120 3.383 5.324 1.00 0.00 C ATOM 910 O ARG A 58 7.423 2.716 6.313 1.00 0.00 O ATOM 911 CB ARG A 58 9.546 3.949 5.182 1.00 0.00 C ATOM 912 CG ARG A 58 10.686 4.434 4.287 1.00 0.00 C ATOM 913 CD ARG A 58 11.939 4.738 5.110 1.00 0.00 C ATOM 914 NE ARG A 58 12.895 5.531 4.305 1.00 0.00 N ATOM 915 CZ ARG A 58 13.957 6.169 4.813 1.00 0.00 C ATOM 916 NH1 ARG A 58 14.206 6.113 6.129 1.00 0.00 N ATOM 917 NH2 ARG A 58 14.771 6.865 4.006 1.00 0.00 N ATOM 0 H ARG A 58 8.105 5.641 3.143 1.00 0.00 H new ATOM 0 HA ARG A 58 8.295 3.435 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.495 4.567 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.745 2.928 5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.914 3.675 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.375 5.329 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.667 5.287 6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.407 3.808 5.432 1.00 0.00 H new ATOM 0 HE ARG A 58 12.735 5.596 3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.587 5.584 6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.015 6.599 6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.581 6.909 3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.580 7.351 4.393 1.00 0.00 H new ATOM 931 N CYS A 59 5.877 3.627 4.935 1.00 0.00 N ATOM 932 CA CYS A 59 4.744 3.103 5.678 1.00 0.00 C ATOM 933 C CYS A 59 4.463 1.681 5.186 1.00 0.00 C ATOM 934 O CYS A 59 4.325 0.759 5.988 1.00 0.00 O ATOM 935 CB CYS A 59 3.515 4.006 5.548 1.00 0.00 C ATOM 936 SG CYS A 59 2.814 4.109 3.860 1.00 0.00 S ATOM 0 H CYS A 59 5.630 4.181 4.115 1.00 0.00 H new ATOM 0 HA CYS A 59 4.983 3.078 6.741 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.742 3.644 6.226 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.783 5.010 5.877 1.00 0.00 H new ATOM 941 N ASN A 60 4.385 1.550 3.870 1.00 0.00 N ATOM 942 CA ASN A 60 4.124 0.257 3.261 1.00 0.00 C ATOM 943 C ASN A 60 5.406 -0.265 2.609 1.00 0.00 C ATOM 944 O ASN A 60 5.935 0.357 1.689 1.00 0.00 O ATOM 945 CB ASN A 60 3.052 0.367 2.174 1.00 0.00 C ATOM 946 CG ASN A 60 3.569 1.161 0.972 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.500 2.377 0.922 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.090 0.404 0.009 1.00 0.00 N ATOM 0 H ASN A 60 4.498 2.318 3.208 1.00 0.00 H new ATOM 0 HA ASN A 60 3.778 -0.420 4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.751 -0.630 1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.165 0.853 2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.463 0.838 -0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.116 -0.610 0.116 1.00 0.00 H new