USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 274 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 17 CYS SG : rot -68:sc= -5.68! USER MOD Set 1.2: A 33 CYS SG : rot 36:sc= -2.11! USER MOD Set 2.1: A 10 CYS SG : rot -147:sc= -4.84! USER MOD Set 2.2: A 31 HIS :FLIP no HD1:sc= -2.67! C(o=-16!,f=-7.5!) USER MOD Set 3.1: A 13 TYR OH : rot 180:sc= 0.892 USER MOD Set 3.2: A 14 TYR OH : rot 96:sc= 1.55 USER MOD Set 4.1: A 3 CYS SG : rot -66:sc= -1.11! USER MOD Set 4.2: A 18 CYS SG : rot -150:sc= -2.39! USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.0292 (180deg=-0.0292) USER MOD Single : A 2 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.52) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= -2.52! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= -0.0331 (180deg=-0.0331) USER MOD Single : A 27 ASN : amide:sc= -7.78! C(o=-7.8!,f=-8.9!) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.0726 (180deg=-0.492) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 39.885 -8.312 -18.868 1.00 0.00 N HETATM 2 CA PCA A 1 38.582 -8.251 -18.149 1.00 0.00 C HETATM 3 CB PCA A 1 37.707 -9.419 -18.639 1.00 0.00 C HETATM 4 CG PCA A 1 38.540 -10.208 -19.656 1.00 0.00 C HETATM 5 CD PCA A 1 39.903 -9.498 -19.773 1.00 0.00 C HETATM 6 OE PCA A 1 40.469 -9.460 -20.863 1.00 0.00 O HETATM 7 C PCA A 1 38.791 -8.326 -16.646 1.00 0.00 C HETATM 8 O PCA A 1 37.968 -7.836 -15.876 1.00 0.00 O HETATM 0 H2 PCA A 1 39.719 -8.259 -19.893 1.00 0.00 H new HETATM 0 HA PCA A 1 38.086 -7.303 -18.359 1.00 0.00 H new HETATM 0 HB2 PCA A 1 37.412 -10.056 -17.805 1.00 0.00 H new HETATM 0 HB3 PCA A 1 36.790 -9.048 -19.097 1.00 0.00 H new HETATM 0 HG2 PCA A 1 38.670 -11.240 -19.330 1.00 0.00 H new HETATM 0 HG3 PCA A 1 38.038 -10.240 -20.623 1.00 0.00 H new ATOM 15 N GLN A 2 39.879 -8.976 -16.226 1.00 0.00 N ATOM 16 CA GLN A 2 40.205 -9.092 -14.817 1.00 0.00 C ATOM 17 C GLN A 2 38.976 -9.547 -14.040 1.00 0.00 C ATOM 18 O GLN A 2 38.343 -8.747 -13.355 1.00 0.00 O ATOM 19 CB GLN A 2 40.704 -7.743 -14.301 1.00 0.00 C ATOM 20 CG GLN A 2 41.906 -7.296 -15.129 1.00 0.00 C ATOM 21 CD GLN A 2 41.752 -5.845 -15.568 1.00 0.00 C ATOM 22 OE1 GLN A 2 41.160 -5.040 -14.853 1.00 0.00 O ATOM 23 NE2 GLN A 2 42.205 -5.539 -16.786 1.00 0.00 N ATOM 0 H GLN A 2 40.547 -9.429 -16.850 1.00 0.00 H new ATOM 0 HA GLN A 2 40.992 -9.833 -14.679 1.00 0.00 H new ATOM 0 HB2 GLN A 2 39.909 -7.000 -14.364 1.00 0.00 H new ATOM 0 HB3 GLN A 2 40.982 -7.824 -13.250 1.00 0.00 H new ATOM 0 HG2 GLN A 2 42.819 -7.408 -14.544 1.00 0.00 H new ATOM 0 HG3 GLN A 2 42.008 -7.937 -16.005 1.00 0.00 H new ATOM 0 HE21 GLN A 2 42.691 -6.243 -17.341 1.00 0.00 H new ATOM 0 HE22 GLN A 2 42.065 -4.601 -17.161 1.00 0.00 H new ATOM 32 N CYS A 3 38.591 -10.814 -14.218 1.00 0.00 N ATOM 33 CA CYS A 3 37.427 -11.361 -13.563 1.00 0.00 C ATOM 34 C CYS A 3 36.149 -10.926 -14.313 1.00 0.00 C ATOM 35 O CYS A 3 36.251 -10.973 -15.554 1.00 0.00 O ATOM 36 CB CYS A 3 37.375 -10.940 -12.100 1.00 0.00 C ATOM 37 SG CYS A 3 36.252 -9.549 -11.761 1.00 0.00 S ATOM 0 H CYS A 3 39.082 -11.476 -14.819 1.00 0.00 H new ATOM 0 HA CYS A 3 37.491 -12.449 -13.587 1.00 0.00 H new ATOM 0 HB2 CYS A 3 37.067 -11.795 -11.499 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.380 -10.668 -11.776 1.00 0.00 H new ATOM 0 HG CYS A 3 36.706 -8.475 -12.335 1.00 0.00 H new ATOM 42 N VAL A 4 35.002 -11.194 -13.650 1.00 0.00 N ATOM 43 CA VAL A 4 33.803 -11.500 -14.462 1.00 0.00 C ATOM 44 C VAL A 4 32.641 -11.783 -13.528 1.00 0.00 C ATOM 45 O VAL A 4 32.692 -12.754 -12.770 1.00 0.00 O ATOM 46 CB VAL A 4 34.182 -12.678 -15.355 1.00 0.00 C ATOM 47 CG1 VAL A 4 33.166 -13.809 -15.236 1.00 0.00 C ATOM 48 CG2 VAL A 4 34.229 -12.204 -16.810 1.00 0.00 C ATOM 0 H VAL A 4 34.881 -11.206 -12.637 1.00 0.00 H new ATOM 0 HA VAL A 4 33.482 -10.675 -15.098 1.00 0.00 H new ATOM 0 HB VAL A 4 35.156 -13.052 -15.039 1.00 0.00 H new ATOM 0 HG11 VAL A 4 33.463 -14.634 -15.884 1.00 0.00 H new ATOM 0 HG12 VAL A 4 33.126 -14.155 -14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 4 32.182 -13.448 -15.536 1.00 0.00 H new ATOM 0 HG21 VAL A 4 34.499 -13.039 -17.456 1.00 0.00 H new ATOM 0 HG22 VAL A 4 33.250 -11.823 -17.100 1.00 0.00 H new ATOM 0 HG23 VAL A 4 34.971 -11.412 -16.911 1.00 0.00 H new ATOM 58 N LYS A 5 31.711 -10.826 -13.416 1.00 0.00 N ATOM 59 CA LYS A 5 30.700 -10.874 -12.373 1.00 0.00 C ATOM 60 C LYS A 5 29.456 -10.110 -12.815 1.00 0.00 C ATOM 61 O LYS A 5 29.333 -8.925 -12.497 1.00 0.00 O ATOM 62 CB LYS A 5 31.276 -10.272 -11.092 1.00 0.00 C ATOM 63 CG LYS A 5 31.762 -8.853 -11.370 1.00 0.00 C ATOM 64 CD LYS A 5 32.947 -8.533 -10.464 1.00 0.00 C ATOM 65 CE LYS A 5 32.450 -7.808 -9.214 1.00 0.00 C ATOM 66 NZ LYS A 5 33.362 -6.712 -8.846 1.00 0.00 N ATOM 0 H LYS A 5 31.644 -10.018 -14.034 1.00 0.00 H new ATOM 0 HA LYS A 5 30.413 -11.909 -12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 5 30.517 -10.261 -10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 5 32.100 -10.885 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 5 32.054 -8.756 -12.416 1.00 0.00 H new ATOM 0 HG3 LYS A 5 30.955 -8.141 -11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 5 33.463 -9.451 -10.184 1.00 0.00 H new ATOM 0 HD3 LYS A 5 33.668 -7.912 -10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 5 31.451 -7.411 -9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 5 32.370 -8.513 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 33.004 -6.234 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 34.309 -7.098 -8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 33.418 -6.029 -9.629 1.00 0.00 H new ATOM 80 N LYS A 6 28.415 -10.854 -13.203 1.00 0.00 N ATOM 81 CA LYS A 6 27.121 -10.267 -13.499 1.00 0.00 C ATOM 82 C LYS A 6 27.220 -9.402 -14.750 1.00 0.00 C ATOM 83 O LYS A 6 27.678 -8.264 -14.681 1.00 0.00 O ATOM 84 CB LYS A 6 26.651 -9.438 -12.305 1.00 0.00 C ATOM 85 CG LYS A 6 25.153 -9.172 -12.431 1.00 0.00 C ATOM 86 CD LYS A 6 24.380 -10.449 -12.120 1.00 0.00 C ATOM 87 CE LYS A 6 23.008 -10.390 -12.791 1.00 0.00 C ATOM 88 NZ LYS A 6 22.045 -11.260 -12.096 1.00 0.00 N ATOM 0 H LYS A 6 28.452 -11.867 -13.317 1.00 0.00 H new ATOM 0 HA LYS A 6 26.394 -11.058 -13.684 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.861 -9.967 -11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.197 -8.495 -12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.855 -8.378 -11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.918 -8.828 -13.438 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.934 -11.318 -12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.265 -10.564 -11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.642 -9.363 -12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.095 -10.697 -13.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.121 -11.203 -12.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.386 -12.242 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.947 -10.950 -11.108 1.00 0.00 H new ATOM 102 N ASP A 7 26.625 -9.881 -15.849 1.00 0.00 N ATOM 103 CA ASP A 7 26.741 -9.197 -17.125 1.00 0.00 C ATOM 104 C ASP A 7 28.166 -9.333 -17.653 1.00 0.00 C ATOM 105 O ASP A 7 28.515 -8.680 -18.637 1.00 0.00 O ATOM 106 CB ASP A 7 26.364 -7.726 -16.952 1.00 0.00 C ATOM 107 CG ASP A 7 25.493 -7.251 -18.107 1.00 0.00 C ATOM 108 OD1 ASP A 7 24.521 -7.974 -18.417 1.00 0.00 O ATOM 109 OD2 ASP A 7 25.783 -6.149 -18.621 1.00 0.00 O ATOM 0 H ASP A 7 26.065 -10.733 -15.873 1.00 0.00 H new ATOM 0 HA ASP A 7 26.061 -9.648 -17.848 1.00 0.00 H new ATOM 0 HB2 ASP A 7 25.832 -7.591 -16.010 1.00 0.00 H new ATOM 0 HB3 ASP A 7 27.267 -7.118 -16.898 1.00 0.00 H new ATOM 114 N GLU A 8 28.881 -10.355 -17.174 1.00 0.00 N ATOM 115 CA GLU A 8 30.161 -10.728 -17.749 1.00 0.00 C ATOM 116 C GLU A 8 30.059 -12.132 -18.339 1.00 0.00 C ATOM 117 O GLU A 8 29.197 -12.905 -17.920 1.00 0.00 O ATOM 118 CB GLU A 8 31.238 -10.674 -16.668 1.00 0.00 C ATOM 119 CG GLU A 8 31.938 -9.318 -16.713 1.00 0.00 C ATOM 120 CD GLU A 8 32.997 -9.291 -17.808 1.00 0.00 C ATOM 121 OE1 GLU A 8 32.667 -9.741 -18.926 1.00 0.00 O ATOM 122 OE2 GLU A 8 34.124 -8.853 -17.494 1.00 0.00 O ATOM 0 H GLU A 8 28.588 -10.935 -16.388 1.00 0.00 H new ATOM 0 HA GLU A 8 30.430 -10.033 -18.544 1.00 0.00 H new ATOM 0 HB2 GLU A 8 30.791 -10.832 -15.686 1.00 0.00 H new ATOM 0 HB3 GLU A 8 31.962 -11.474 -16.821 1.00 0.00 H new ATOM 0 HG2 GLU A 8 31.205 -8.531 -16.891 1.00 0.00 H new ATOM 0 HG3 GLU A 8 32.401 -9.111 -15.748 1.00 0.00 H new ATOM 129 N LEU A 9 30.723 -12.343 -19.478 1.00 0.00 N ATOM 130 CA LEU A 9 30.598 -13.587 -20.216 1.00 0.00 C ATOM 131 C LEU A 9 31.531 -14.634 -19.619 1.00 0.00 C ATOM 132 O LEU A 9 32.557 -14.288 -19.038 1.00 0.00 O ATOM 133 CB LEU A 9 30.931 -13.341 -21.686 1.00 0.00 C ATOM 134 CG LEU A 9 30.147 -12.133 -22.190 1.00 0.00 C ATOM 135 CD1 LEU A 9 30.423 -11.932 -23.677 1.00 0.00 C ATOM 136 CD2 LEU A 9 28.654 -12.370 -21.977 1.00 0.00 C ATOM 0 H LEU A 9 31.352 -11.663 -19.904 1.00 0.00 H new ATOM 0 HA LEU A 9 29.575 -13.957 -20.146 1.00 0.00 H new ATOM 0 HB2 LEU A 9 32.001 -13.168 -21.804 1.00 0.00 H new ATOM 0 HB3 LEU A 9 30.683 -14.222 -22.278 1.00 0.00 H new ATOM 0 HG LEU A 9 30.456 -11.244 -21.640 1.00 0.00 H new ATOM 0 HD11 LEU A 9 29.863 -11.069 -24.038 1.00 0.00 H new ATOM 0 HD12 LEU A 9 31.489 -11.763 -23.830 1.00 0.00 H new ATOM 0 HD13 LEU A 9 30.114 -12.821 -24.228 1.00 0.00 H new ATOM 0 HD21 LEU A 9 28.094 -11.507 -22.337 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.345 -13.259 -22.527 1.00 0.00 H new ATOM 0 HD23 LEU A 9 28.456 -12.514 -20.915 1.00 0.00 H new ATOM 148 N CYS A 10 31.091 -15.895 -19.624 1.00 0.00 N ATOM 149 CA CYS A 10 31.871 -16.976 -19.053 1.00 0.00 C ATOM 150 C CYS A 10 33.318 -16.864 -19.515 1.00 0.00 C ATOM 151 O CYS A 10 33.596 -16.238 -20.536 1.00 0.00 O ATOM 152 CB CYS A 10 31.267 -18.319 -19.474 1.00 0.00 C ATOM 153 SG CYS A 10 32.021 -19.037 -20.962 1.00 0.00 S ATOM 0 H CYS A 10 30.196 -16.184 -20.020 1.00 0.00 H new ATOM 0 HA CYS A 10 31.851 -16.911 -17.965 1.00 0.00 H new ATOM 0 HB2 CYS A 10 31.370 -19.026 -18.650 1.00 0.00 H new ATOM 0 HB3 CYS A 10 30.199 -18.186 -19.649 1.00 0.00 H new ATOM 0 HG CYS A 10 31.123 -19.703 -21.625 1.00 0.00 H new ATOM 158 N ILE A 11 34.227 -17.531 -18.802 1.00 0.00 N ATOM 159 CA ILE A 11 35.636 -17.510 -19.148 1.00 0.00 C ATOM 160 C ILE A 11 36.275 -18.847 -18.785 1.00 0.00 C ATOM 161 O ILE A 11 36.813 -18.978 -17.685 1.00 0.00 O ATOM 162 CB ILE A 11 36.326 -16.367 -18.408 1.00 0.00 C ATOM 163 CG1 ILE A 11 35.727 -15.033 -18.839 1.00 0.00 C ATOM 164 CG2 ILE A 11 37.820 -16.386 -18.712 1.00 0.00 C ATOM 165 CD1 ILE A 11 36.060 -14.774 -20.306 1.00 0.00 C ATOM 0 H ILE A 11 34.004 -18.092 -17.980 1.00 0.00 H new ATOM 0 HA ILE A 11 35.748 -17.352 -20.221 1.00 0.00 H new ATOM 0 HB ILE A 11 36.176 -16.493 -17.336 1.00 0.00 H new ATOM 0 HG12 ILE A 11 34.646 -15.045 -18.697 1.00 0.00 H new ATOM 0 HG13 ILE A 11 36.121 -14.228 -18.218 1.00 0.00 H new ATOM 0 HG21 ILE A 11 38.310 -15.569 -18.182 1.00 0.00 H new ATOM 0 HG22 ILE A 11 38.245 -17.336 -18.387 1.00 0.00 H new ATOM 0 HG23 ILE A 11 37.975 -16.267 -19.784 1.00 0.00 H new ATOM 0 HD11 ILE A 11 35.631 -13.820 -20.613 1.00 0.00 H new ATOM 0 HD12 ILE A 11 37.142 -14.744 -20.434 1.00 0.00 H new ATOM 0 HD13 ILE A 11 35.645 -15.573 -20.920 1.00 0.00 H new ATOM 177 N PRO A 12 36.540 -19.674 -19.800 1.00 0.00 N ATOM 178 CA PRO A 12 37.021 -21.039 -19.531 1.00 0.00 C ATOM 179 C PRO A 12 38.527 -21.028 -19.365 1.00 0.00 C ATOM 180 O PRO A 12 39.166 -19.992 -19.551 1.00 0.00 O ATOM 181 CB PRO A 12 36.585 -21.898 -20.728 1.00 0.00 C ATOM 182 CG PRO A 12 35.821 -20.978 -21.694 1.00 0.00 C ATOM 183 CD PRO A 12 35.814 -19.573 -21.073 1.00 0.00 C ATOM 0 HA PRO A 12 36.606 -21.445 -18.609 1.00 0.00 H new ATOM 0 HB2 PRO A 12 37.451 -22.339 -21.221 1.00 0.00 H new ATOM 0 HB3 PRO A 12 35.952 -22.722 -20.400 1.00 0.00 H new ATOM 0 HG2 PRO A 12 36.301 -20.964 -22.672 1.00 0.00 H new ATOM 0 HG3 PRO A 12 34.803 -21.338 -21.844 1.00 0.00 H new ATOM 0 HD2 PRO A 12 36.294 -18.854 -21.737 1.00 0.00 H new ATOM 0 HD3 PRO A 12 34.794 -19.226 -20.911 1.00 0.00 H new ATOM 191 N TYR A 13 39.089 -22.146 -18.898 1.00 0.00 N ATOM 192 CA TYR A 13 40.502 -22.218 -18.575 1.00 0.00 C ATOM 193 C TYR A 13 40.772 -21.484 -17.268 1.00 0.00 C ATOM 194 O TYR A 13 40.773 -20.256 -17.232 1.00 0.00 O ATOM 195 CB TYR A 13 41.313 -21.599 -19.719 1.00 0.00 C ATOM 196 CG TYR A 13 42.749 -22.074 -19.753 1.00 0.00 C ATOM 197 CD1 TYR A 13 43.032 -23.423 -20.001 1.00 0.00 C ATOM 198 CD2 TYR A 13 43.794 -21.167 -19.537 1.00 0.00 C ATOM 199 CE1 TYR A 13 44.361 -23.865 -20.032 1.00 0.00 C ATOM 200 CE2 TYR A 13 45.123 -21.609 -19.568 1.00 0.00 C ATOM 201 CZ TYR A 13 45.407 -22.958 -19.816 1.00 0.00 C ATOM 202 OH TYR A 13 46.700 -23.388 -19.846 1.00 0.00 O ATOM 0 H TYR A 13 38.577 -23.014 -18.737 1.00 0.00 H new ATOM 0 HA TYR A 13 40.800 -23.259 -18.452 1.00 0.00 H new ATOM 0 HB2 TYR A 13 40.834 -21.840 -20.668 1.00 0.00 H new ATOM 0 HB3 TYR A 13 41.298 -20.513 -19.621 1.00 0.00 H new ATOM 0 HD1 TYR A 13 42.226 -24.122 -20.168 1.00 0.00 H new ATOM 0 HD2 TYR A 13 43.575 -20.127 -19.347 1.00 0.00 H new ATOM 0 HE1 TYR A 13 44.579 -24.905 -20.222 1.00 0.00 H new ATOM 0 HE2 TYR A 13 45.929 -20.910 -19.401 1.00 0.00 H new ATOM 0 HH TYR A 13 47.300 -22.632 -19.677 1.00 0.00 H new ATOM 212 N TYR A 14 41.035 -22.243 -16.201 1.00 0.00 N ATOM 213 CA TYR A 14 41.354 -21.663 -14.911 1.00 0.00 C ATOM 214 C TYR A 14 40.266 -20.679 -14.501 1.00 0.00 C ATOM 215 O TYR A 14 40.533 -19.727 -13.771 1.00 0.00 O ATOM 216 CB TYR A 14 42.713 -20.959 -14.996 1.00 0.00 C ATOM 217 CG TYR A 14 43.788 -21.816 -15.627 1.00 0.00 C ATOM 218 CD1 TYR A 14 43.628 -23.205 -15.693 1.00 0.00 C ATOM 219 CD2 TYR A 14 44.944 -21.217 -16.144 1.00 0.00 C ATOM 220 CE1 TYR A 14 44.625 -23.998 -16.277 1.00 0.00 C ATOM 221 CE2 TYR A 14 45.941 -22.010 -16.728 1.00 0.00 C ATOM 222 CZ TYR A 14 45.781 -23.400 -16.794 1.00 0.00 C ATOM 223 OH TYR A 14 46.751 -24.171 -17.363 1.00 0.00 O ATOM 0 H TYR A 14 41.031 -23.263 -16.214 1.00 0.00 H new ATOM 0 HA TYR A 14 41.407 -22.449 -14.158 1.00 0.00 H new ATOM 0 HB2 TYR A 14 42.604 -20.041 -15.573 1.00 0.00 H new ATOM 0 HB3 TYR A 14 43.029 -20.670 -13.994 1.00 0.00 H new ATOM 0 HD1 TYR A 14 42.736 -23.666 -15.294 1.00 0.00 H new ATOM 0 HD2 TYR A 14 45.067 -20.145 -16.093 1.00 0.00 H new ATOM 0 HE1 TYR A 14 44.502 -25.070 -16.328 1.00 0.00 H new ATOM 0 HE2 TYR A 14 46.833 -21.549 -17.127 1.00 0.00 H new ATOM 0 HH TYR A 14 46.624 -24.192 -18.335 1.00 0.00 H new ATOM 233 N LEU A 15 39.038 -20.918 -14.967 1.00 0.00 N ATOM 234 CA LEU A 15 37.941 -19.997 -14.724 1.00 0.00 C ATOM 235 C LEU A 15 37.832 -19.713 -13.230 1.00 0.00 C ATOM 236 O LEU A 15 38.184 -20.564 -12.415 1.00 0.00 O ATOM 237 CB LEU A 15 36.645 -20.601 -15.260 1.00 0.00 C ATOM 238 CG LEU A 15 36.207 -21.755 -14.363 1.00 0.00 C ATOM 239 CD1 LEU A 15 34.835 -22.253 -14.807 1.00 0.00 C ATOM 240 CD2 LEU A 15 37.219 -22.893 -14.466 1.00 0.00 C ATOM 0 H LEU A 15 38.785 -21.742 -15.513 1.00 0.00 H new ATOM 0 HA LEU A 15 38.126 -19.055 -15.240 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.866 -19.840 -15.297 1.00 0.00 H new ATOM 0 HB3 LEU A 15 36.792 -20.956 -16.280 1.00 0.00 H new ATOM 0 HG LEU A 15 36.152 -21.411 -13.330 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.522 -23.077 -14.166 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.112 -21.441 -14.733 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.890 -22.597 -15.840 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.906 -23.717 -13.825 1.00 0.00 H new ATOM 0 HD22 LEU A 15 37.275 -23.237 -15.499 1.00 0.00 H new ATOM 0 HD23 LEU A 15 38.199 -22.538 -14.148 1.00 0.00 H new ATOM 252 N ASP A 16 37.186 -18.597 -12.882 1.00 0.00 N ATOM 253 CA ASP A 16 36.886 -18.291 -11.495 1.00 0.00 C ATOM 254 C ASP A 16 36.151 -16.960 -11.406 1.00 0.00 C ATOM 255 O ASP A 16 36.774 -15.916 -11.224 1.00 0.00 O ATOM 256 CB ASP A 16 38.189 -18.244 -10.696 1.00 0.00 C ATOM 257 CG ASP A 16 39.132 -17.188 -11.257 1.00 0.00 C ATOM 258 OD1 ASP A 16 38.883 -16.755 -12.402 1.00 0.00 O ATOM 259 OD2 ASP A 16 40.111 -16.869 -10.548 1.00 0.00 O ATOM 0 H ASP A 16 36.864 -17.895 -13.548 1.00 0.00 H new ATOM 0 HA ASP A 16 36.243 -19.065 -11.077 1.00 0.00 H new ATOM 0 HB2 ASP A 16 37.972 -18.025 -9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 16 38.672 -19.221 -10.723 1.00 0.00 H new ATOM 264 N CYS A 17 34.831 -16.993 -11.602 1.00 0.00 N ATOM 265 CA CYS A 17 34.016 -15.796 -11.514 1.00 0.00 C ATOM 266 C CYS A 17 33.800 -15.424 -10.053 1.00 0.00 C ATOM 267 O CYS A 17 34.055 -16.232 -9.163 1.00 0.00 O ATOM 268 CB CYS A 17 32.675 -16.048 -12.211 1.00 0.00 C ATOM 269 SG CYS A 17 31.313 -15.030 -11.575 1.00 0.00 S ATOM 0 H CYS A 17 34.310 -17.842 -11.823 1.00 0.00 H new ATOM 0 HA CYS A 17 34.523 -14.967 -12.008 1.00 0.00 H new ATOM 0 HB2 CYS A 17 32.790 -15.858 -13.278 1.00 0.00 H new ATOM 0 HB3 CYS A 17 32.411 -17.100 -12.101 1.00 0.00 H new ATOM 0 HG CYS A 17 31.033 -15.391 -10.358 1.00 0.00 H new ATOM 274 N CYS A 18 33.324 -14.199 -9.812 1.00 0.00 N ATOM 275 CA CYS A 18 32.988 -13.769 -8.467 1.00 0.00 C ATOM 276 C CYS A 18 31.734 -14.491 -7.992 1.00 0.00 C ATOM 277 O CYS A 18 30.773 -14.627 -8.746 1.00 0.00 O ATOM 278 CB CYS A 18 32.774 -12.252 -8.458 1.00 0.00 C ATOM 279 SG CYS A 18 34.283 -11.296 -8.781 1.00 0.00 S ATOM 0 H CYS A 18 33.166 -13.495 -10.533 1.00 0.00 H new ATOM 0 HA CYS A 18 33.804 -14.014 -7.788 1.00 0.00 H new ATOM 0 HB2 CYS A 18 32.026 -11.996 -9.208 1.00 0.00 H new ATOM 0 HB3 CYS A 18 32.369 -11.958 -7.490 1.00 0.00 H new ATOM 0 HG CYS A 18 34.211 -10.151 -8.169 1.00 0.00 H new ATOM 284 N GLU A 19 31.778 -15.019 -6.767 1.00 0.00 N ATOM 285 CA GLU A 19 30.621 -15.670 -6.179 1.00 0.00 C ATOM 286 C GLU A 19 29.631 -14.616 -5.698 1.00 0.00 C ATOM 287 O GLU A 19 30.048 -13.558 -5.227 1.00 0.00 O ATOM 288 CB GLU A 19 31.076 -16.555 -5.020 1.00 0.00 C ATOM 289 CG GLU A 19 31.249 -17.989 -5.515 1.00 0.00 C ATOM 290 CD GLU A 19 32.110 -18.795 -4.550 1.00 0.00 C ATOM 291 OE1 GLU A 19 33.341 -18.586 -4.580 1.00 0.00 O ATOM 292 OE2 GLU A 19 31.531 -19.679 -3.880 1.00 0.00 O ATOM 0 H GLU A 19 32.604 -15.005 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 19 30.126 -16.294 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 19 32.016 -16.184 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 19 30.343 -16.523 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 19 30.273 -18.462 -5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 19 31.709 -17.984 -6.503 1.00 0.00 H new ATOM 299 N PRO A 20 28.342 -14.817 -5.983 1.00 0.00 N ATOM 300 CA PRO A 20 27.847 -16.161 -6.320 1.00 0.00 C ATOM 301 C PRO A 20 27.932 -16.386 -7.816 1.00 0.00 C ATOM 302 O PRO A 20 27.833 -17.522 -8.280 1.00 0.00 O ATOM 303 CB PRO A 20 26.395 -16.230 -5.822 1.00 0.00 C ATOM 304 CG PRO A 20 26.057 -14.860 -5.214 1.00 0.00 C ATOM 305 CD PRO A 20 27.312 -13.984 -5.340 1.00 0.00 C ATOM 0 HA PRO A 20 28.446 -16.941 -5.850 1.00 0.00 H new ATOM 0 HB2 PRO A 20 25.717 -16.464 -6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 20 26.280 -17.019 -5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 20 25.216 -14.404 -5.737 1.00 0.00 H new ATOM 0 HG3 PRO A 20 25.764 -14.965 -4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 20 27.106 -13.094 -5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 20 27.646 -13.642 -4.360 1.00 0.00 H new ATOM 313 N LEU A 21 28.000 -15.297 -8.587 1.00 0.00 N ATOM 314 CA LEU A 21 27.991 -15.379 -10.036 1.00 0.00 C ATOM 315 C LEU A 21 28.930 -16.490 -10.494 1.00 0.00 C ATOM 316 O LEU A 21 29.965 -16.716 -9.868 1.00 0.00 O ATOM 317 CB LEU A 21 28.420 -14.034 -10.621 1.00 0.00 C ATOM 318 CG LEU A 21 27.427 -12.956 -10.198 1.00 0.00 C ATOM 319 CD1 LEU A 21 28.167 -11.640 -9.975 1.00 0.00 C ATOM 320 CD2 LEU A 21 26.379 -12.770 -11.292 1.00 0.00 C ATOM 0 H LEU A 21 28.062 -14.347 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 21 26.986 -15.611 -10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 21 29.421 -13.777 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 21 28.465 -14.096 -11.708 1.00 0.00 H new ATOM 0 HG LEU A 21 26.937 -13.259 -9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 21 27.457 -10.870 -9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 21 28.915 -11.771 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 21 28.658 -11.338 -10.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 25.670 -12.000 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 21 26.869 -12.468 -12.218 1.00 0.00 H new ATOM 0 HD23 LEU A 21 25.849 -13.709 -11.451 1.00 0.00 H new ATOM 332 N GLU A 22 28.449 -17.326 -11.419 1.00 0.00 N ATOM 333 CA GLU A 22 29.218 -18.462 -11.893 1.00 0.00 C ATOM 334 C GLU A 22 29.777 -18.157 -13.278 1.00 0.00 C ATOM 335 O GLU A 22 30.075 -17.005 -13.585 1.00 0.00 O ATOM 336 CB GLU A 22 28.328 -19.703 -11.926 1.00 0.00 C ATOM 337 CG GLU A 22 27.445 -19.735 -10.681 1.00 0.00 C ATOM 338 CD GLU A 22 26.478 -20.912 -10.729 1.00 0.00 C ATOM 339 OE1 GLU A 22 26.370 -21.511 -11.822 1.00 0.00 O ATOM 340 OE2 GLU A 22 25.735 -21.069 -9.735 1.00 0.00 O ATOM 0 H GLU A 22 27.529 -17.231 -11.850 1.00 0.00 H new ATOM 0 HA GLU A 22 30.052 -18.653 -11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 22 27.709 -19.695 -12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 22 28.942 -20.602 -11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 22 28.069 -19.808 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 22 26.886 -18.803 -10.603 1.00 0.00 H new ATOM 347 N CYS A 23 29.914 -19.194 -14.109 1.00 0.00 N ATOM 348 CA CYS A 23 30.576 -19.046 -15.395 1.00 0.00 C ATOM 349 C CYS A 23 30.223 -20.240 -16.278 1.00 0.00 C ATOM 350 O CYS A 23 30.644 -21.359 -15.984 1.00 0.00 O ATOM 351 CB CYS A 23 32.087 -18.947 -15.185 1.00 0.00 C ATOM 352 SG CYS A 23 32.827 -17.398 -15.781 1.00 0.00 S ATOM 0 H CYS A 23 29.576 -20.136 -13.911 1.00 0.00 H new ATOM 0 HA CYS A 23 30.240 -18.134 -15.889 1.00 0.00 H new ATOM 0 HB2 CYS A 23 32.302 -19.052 -14.122 1.00 0.00 H new ATOM 0 HB3 CYS A 23 32.568 -19.784 -15.692 1.00 0.00 H new ATOM 0 HG CYS A 23 34.107 -17.413 -15.554 1.00 0.00 H new ATOM 357 N LYS A 24 29.237 -20.052 -17.162 1.00 0.00 N ATOM 358 CA LYS A 24 28.809 -21.120 -18.049 1.00 0.00 C ATOM 359 C LYS A 24 28.133 -20.530 -19.281 1.00 0.00 C ATOM 360 O LYS A 24 28.348 -19.362 -19.598 1.00 0.00 O ATOM 361 CB LYS A 24 27.860 -22.053 -17.298 1.00 0.00 C ATOM 362 CG LYS A 24 26.513 -21.365 -17.102 1.00 0.00 C ATOM 363 CD LYS A 24 25.585 -22.281 -16.311 1.00 0.00 C ATOM 364 CE LYS A 24 24.273 -22.458 -17.073 1.00 0.00 C ATOM 365 NZ LYS A 24 23.459 -21.232 -17.009 1.00 0.00 N ATOM 0 H LYS A 24 28.729 -19.175 -17.276 1.00 0.00 H new ATOM 0 HA LYS A 24 29.674 -21.695 -18.379 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.728 -22.980 -17.856 1.00 0.00 H new ATOM 0 HB3 LYS A 24 28.287 -22.321 -16.331 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.648 -20.422 -16.573 1.00 0.00 H new ATOM 0 HG3 LYS A 24 26.070 -21.128 -18.069 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.060 -23.249 -16.154 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.391 -21.857 -15.326 1.00 0.00 H new ATOM 0 HE2 LYS A 24 24.483 -22.706 -18.113 1.00 0.00 H new ATOM 0 HE3 LYS A 24 23.713 -23.293 -16.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 22.573 -21.376 -17.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 23.242 -21.011 -16.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 23.987 -20.442 -17.432 1.00 0.00 H new ATOM 379 N LYS A 25 27.469 -21.385 -20.063 1.00 0.00 N ATOM 380 CA LYS A 25 26.932 -20.979 -21.350 1.00 0.00 C ATOM 381 C LYS A 25 25.421 -20.797 -21.244 1.00 0.00 C ATOM 382 O LYS A 25 24.724 -21.721 -20.825 1.00 0.00 O ATOM 383 CB LYS A 25 27.274 -22.037 -22.397 1.00 0.00 C ATOM 384 CG LYS A 25 28.774 -22.317 -22.365 1.00 0.00 C ATOM 385 CD LYS A 25 29.029 -23.767 -22.769 1.00 0.00 C ATOM 386 CE LYS A 25 30.098 -23.810 -23.859 1.00 0.00 C ATOM 387 NZ LYS A 25 29.482 -23.857 -25.196 1.00 0.00 N ATOM 0 H LYS A 25 27.294 -22.360 -19.822 1.00 0.00 H new ATOM 0 HA LYS A 25 27.374 -20.029 -21.651 1.00 0.00 H new ATOM 0 HB2 LYS A 25 26.718 -22.953 -22.199 1.00 0.00 H new ATOM 0 HB3 LYS A 25 26.978 -21.692 -23.388 1.00 0.00 H new ATOM 0 HG2 LYS A 25 29.295 -21.642 -23.044 1.00 0.00 H new ATOM 0 HG3 LYS A 25 29.168 -22.132 -21.366 1.00 0.00 H new ATOM 0 HD2 LYS A 25 29.353 -24.345 -21.904 1.00 0.00 H new ATOM 0 HD3 LYS A 25 28.107 -24.223 -23.130 1.00 0.00 H new ATOM 0 HE2 LYS A 25 30.739 -22.932 -23.780 1.00 0.00 H new ATOM 0 HE3 LYS A 25 30.734 -24.683 -23.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 30.227 -23.886 -25.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 28.889 -24.708 -25.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 28.894 -23.011 -25.337 1.00 0.00 H new ATOM 401 N VAL A 26 24.911 -19.716 -21.842 1.00 0.00 N ATOM 402 CA VAL A 26 23.478 -19.548 -22.014 1.00 0.00 C ATOM 403 C VAL A 26 23.060 -20.126 -23.364 1.00 0.00 C ATOM 404 O VAL A 26 22.015 -20.773 -23.449 1.00 0.00 O ATOM 405 CB VAL A 26 23.126 -18.066 -21.926 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.651 -17.496 -20.611 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.766 -17.322 -23.095 1.00 0.00 C ATOM 0 H VAL A 26 25.474 -18.950 -22.212 1.00 0.00 H new ATOM 0 HA VAL A 26 22.942 -20.078 -21.227 1.00 0.00 H new ATOM 0 HB VAL A 26 22.043 -17.946 -21.967 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.400 -16.437 -20.547 1.00 0.00 H new ATOM 0 HG12 VAL A 26 23.195 -18.028 -19.776 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.734 -17.615 -20.569 1.00 0.00 H new ATOM 0 HG21 VAL A 26 23.515 -16.263 -23.033 1.00 0.00 H new ATOM 0 HG22 VAL A 26 24.849 -17.442 -23.053 1.00 0.00 H new ATOM 0 HG23 VAL A 26 23.392 -17.729 -24.034 1.00 0.00 H new ATOM 417 N ASN A 27 24.005 -20.155 -24.308 1.00 0.00 N ATOM 418 CA ASN A 27 23.805 -20.849 -25.567 1.00 0.00 C ATOM 419 C ASN A 27 25.126 -20.955 -26.318 1.00 0.00 C ATOM 420 O ASN A 27 26.152 -20.478 -25.838 1.00 0.00 O ATOM 421 CB ASN A 27 22.770 -20.092 -26.401 1.00 0.00 C ATOM 422 CG ASN A 27 21.426 -20.810 -26.372 1.00 0.00 C ATOM 423 OD1 ASN A 27 21.326 -21.955 -26.805 1.00 0.00 O ATOM 424 ND2 ASN A 27 20.422 -20.172 -25.767 1.00 0.00 N ATOM 0 H ASN A 27 24.915 -19.703 -24.217 1.00 0.00 H new ATOM 0 HA ASN A 27 23.438 -21.858 -25.376 1.00 0.00 H new ATOM 0 HB2 ASN A 27 22.655 -19.079 -26.015 1.00 0.00 H new ATOM 0 HB3 ASN A 27 23.119 -20.004 -27.430 1.00 0.00 H new ATOM 0 HD21 ASN A 27 19.522 -20.636 -25.647 1.00 0.00 H new ATOM 0 HD22 ASN A 27 20.555 -19.221 -25.424 1.00 0.00 H new ATOM 431 N TRP A 28 25.085 -21.537 -27.519 1.00 0.00 N ATOM 432 CA TRP A 28 26.254 -21.582 -28.377 1.00 0.00 C ATOM 433 C TRP A 28 26.297 -20.360 -29.286 1.00 0.00 C ATOM 434 O TRP A 28 27.192 -20.270 -30.129 1.00 0.00 O ATOM 435 CB TRP A 28 26.218 -22.871 -29.210 1.00 0.00 C ATOM 436 CG TRP A 28 27.545 -23.553 -29.348 1.00 0.00 C ATOM 437 CD1 TRP A 28 28.300 -24.000 -28.327 1.00 0.00 C ATOM 438 CD2 TRP A 28 28.286 -23.874 -30.567 1.00 0.00 C ATOM 439 NE1 TRP A 28 29.343 -24.752 -28.828 1.00 0.00 N ATOM 440 CE2 TRP A 28 29.407 -24.670 -30.207 1.00 0.00 C ATOM 441 CE3 TRP A 28 28.111 -23.601 -31.933 1.00 0.00 C ATOM 442 CZ2 TRP A 28 30.312 -25.156 -31.159 1.00 0.00 C ATOM 443 CZ3 TRP A 28 29.004 -24.087 -32.897 1.00 0.00 C ATOM 444 CH2 TRP A 28 30.109 -24.860 -32.515 1.00 0.00 C ATOM 0 H TRP A 28 24.254 -21.980 -27.911 1.00 0.00 H new ATOM 0 HA TRP A 28 27.154 -21.575 -27.762 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.512 -23.565 -28.754 1.00 0.00 H new ATOM 0 HB3 TRP A 28 25.838 -22.637 -30.204 1.00 0.00 H new ATOM 0 HD1 TRP A 28 28.118 -23.801 -27.281 1.00 0.00 H new ATOM 0 HE1 TRP A 28 29.985 -25.299 -28.254 1.00 0.00 H new ATOM 0 HE3 TRP A 28 27.269 -23.003 -32.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 31.158 -25.753 -30.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 28.840 -23.865 -33.941 1.00 0.00 H new ATOM 0 HH2 TRP A 28 30.800 -25.226 -33.260 1.00 0.00 H new ATOM 455 N TRP A 29 25.531 -19.322 -28.935 1.00 0.00 N ATOM 456 CA TRP A 29 25.673 -18.022 -29.565 1.00 0.00 C ATOM 457 C TRP A 29 26.385 -17.049 -28.634 1.00 0.00 C ATOM 458 O TRP A 29 26.804 -15.979 -29.075 1.00 0.00 O ATOM 459 CB TRP A 29 24.293 -17.485 -29.959 1.00 0.00 C ATOM 460 CG TRP A 29 23.127 -18.210 -29.355 1.00 0.00 C ATOM 461 CD1 TRP A 29 22.344 -17.745 -28.364 1.00 0.00 C ATOM 462 CD2 TRP A 29 22.591 -19.523 -29.711 1.00 0.00 C ATOM 463 NE1 TRP A 29 21.244 -18.569 -28.231 1.00 0.00 N ATOM 464 CE2 TRP A 29 21.369 -19.706 -29.008 1.00 0.00 C ATOM 465 CE3 TRP A 29 22.993 -20.557 -30.569 1.00 0.00 C ATOM 466 CZ2 TRP A 29 20.597 -20.867 -29.148 1.00 0.00 C ATOM 467 CZ3 TRP A 29 22.227 -21.719 -30.726 1.00 0.00 C ATOM 468 CH2 TRP A 29 21.031 -21.882 -30.012 1.00 0.00 C ATOM 0 H TRP A 29 24.808 -19.365 -28.217 1.00 0.00 H new ATOM 0 HA TRP A 29 26.279 -18.129 -30.465 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.235 -16.435 -29.673 1.00 0.00 H new ATOM 0 HB3 TRP A 29 24.202 -17.525 -31.044 1.00 0.00 H new ATOM 0 HD1 TRP A 29 22.544 -16.867 -27.768 1.00 0.00 H new ATOM 0 HE1 TRP A 29 20.441 -18.365 -27.635 1.00 0.00 H new ATOM 0 HE3 TRP A 29 23.915 -20.455 -31.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 19.676 -20.979 -28.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 22.559 -22.494 -31.401 1.00 0.00 H new ATOM 0 HH2 TRP A 29 20.448 -22.784 -30.127 1.00 0.00 H new ATOM 479 N ASP A 30 26.579 -17.439 -27.374 1.00 0.00 N ATOM 480 CA ASP A 30 27.188 -16.558 -26.394 1.00 0.00 C ATOM 481 C ASP A 30 27.303 -17.271 -25.051 1.00 0.00 C ATOM 482 O ASP A 30 26.417 -18.045 -24.691 1.00 0.00 O ATOM 483 CB ASP A 30 26.342 -15.291 -26.260 1.00 0.00 C ATOM 484 CG ASP A 30 24.857 -15.632 -26.259 1.00 0.00 C ATOM 485 OD1 ASP A 30 24.528 -16.726 -25.753 1.00 0.00 O ATOM 486 OD2 ASP A 30 24.083 -14.796 -26.772 1.00 0.00 O ATOM 0 H ASP A 30 26.322 -18.358 -27.015 1.00 0.00 H new ATOM 0 HA ASP A 30 28.191 -16.283 -26.722 1.00 0.00 H new ATOM 0 HB2 ASP A 30 26.601 -14.771 -25.338 1.00 0.00 H new ATOM 0 HB3 ASP A 30 26.563 -14.611 -27.083 1.00 0.00 H new ATOM 491 N HIS A 31 28.256 -16.827 -24.225 1.00 0.00 N ATOM 492 CA HIS A 31 28.345 -17.281 -22.849 1.00 0.00 C ATOM 493 C HIS A 31 27.765 -16.223 -21.919 1.00 0.00 C ATOM 494 O HIS A 31 27.177 -15.247 -22.380 1.00 0.00 O ATOM 495 CB HIS A 31 29.811 -17.558 -22.505 1.00 0.00 C ATOM 496 CG HIS A 31 30.482 -18.452 -23.517 1.00 0.00 C ATOM 497 ND1 HIS A 31 30.721 -19.809 -23.512 1.00 0.00 N flip ATOM 498 CD2 HIS A 31 31.265 -17.939 -24.539 1.00 0.00 C flip ATOM 499 CE1 HIS A 31 31.710 -20.108 -24.450 1.00 0.00 C flip ATOM 500 NE2 HIS A 31 32.071 -18.927 -24.961 1.00 0.00 N flip ATOM 0 H HIS A 31 28.973 -16.153 -24.493 1.00 0.00 H new ATOM 0 HA HIS A 31 27.772 -18.200 -22.724 1.00 0.00 H new ATOM 0 HB2 HIS A 31 30.351 -16.613 -22.444 1.00 0.00 H new ATOM 0 HB3 HIS A 31 29.869 -18.022 -21.520 1.00 0.00 H new ATOM 0 HD2 HIS A 31 31.233 -16.931 -24.925 1.00 0.00 H new ATOM 0 HE1 HIS A 31 32.099 -21.082 -24.707 1.00 0.00 H new ATOM 0 HE2 HIS A 31 32.860 -18.793 -25.593 1.00 0.00 H new ATOM 508 N LYS A 32 27.897 -16.441 -20.609 1.00 0.00 N ATOM 509 CA LYS A 32 27.359 -15.523 -19.624 1.00 0.00 C ATOM 510 C LYS A 32 27.703 -16.011 -18.217 1.00 0.00 C ATOM 511 O LYS A 32 27.770 -17.221 -17.996 1.00 0.00 O ATOM 512 CB LYS A 32 25.843 -15.424 -19.793 1.00 0.00 C ATOM 513 CG LYS A 32 25.324 -14.226 -19.003 1.00 0.00 C ATOM 514 CD LYS A 32 24.143 -13.603 -19.741 1.00 0.00 C ATOM 515 CE LYS A 32 23.147 -13.044 -18.726 1.00 0.00 C ATOM 516 NZ LYS A 32 22.473 -14.133 -17.999 1.00 0.00 N ATOM 0 H LYS A 32 28.375 -17.250 -20.213 1.00 0.00 H new ATOM 0 HA LYS A 32 27.799 -14.536 -19.769 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.590 -15.316 -20.848 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.366 -16.339 -19.443 1.00 0.00 H new ATOM 0 HG2 LYS A 32 25.018 -14.540 -18.005 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.117 -13.489 -18.876 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.491 -12.808 -20.401 1.00 0.00 H new ATOM 0 HD3 LYS A 32 23.658 -14.350 -20.369 1.00 0.00 H new ATOM 0 HE2 LYS A 32 23.666 -12.396 -18.020 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.406 -12.429 -19.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 21.551 -13.800 -17.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.330 -14.941 -18.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.061 -14.429 -17.194 1.00 0.00 H new ATOM 530 N CYS A 33 27.606 -15.102 -17.242 1.00 0.00 N ATOM 531 CA CYS A 33 27.670 -15.478 -15.841 1.00 0.00 C ATOM 532 C CYS A 33 26.335 -16.076 -15.414 1.00 0.00 C ATOM 533 O CYS A 33 25.521 -16.435 -16.263 1.00 0.00 O ATOM 534 CB CYS A 33 28.001 -14.241 -15.001 1.00 0.00 C ATOM 535 SG CYS A 33 29.664 -13.576 -15.295 1.00 0.00 S ATOM 0 H CYS A 33 27.483 -14.103 -17.405 1.00 0.00 H new ATOM 0 HA CYS A 33 28.450 -16.225 -15.690 1.00 0.00 H new ATOM 0 HB2 CYS A 33 27.267 -13.463 -15.212 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.903 -14.494 -13.945 1.00 0.00 H new ATOM 0 HG CYS A 33 29.969 -13.710 -16.551 1.00 0.00 H new ATOM 540 N ILE A 34 26.169 -16.293 -14.106 1.00 0.00 N ATOM 541 CA ILE A 34 25.017 -17.023 -13.601 1.00 0.00 C ATOM 542 C ILE A 34 24.458 -16.313 -12.374 1.00 0.00 C ATOM 543 O ILE A 34 23.489 -15.565 -12.479 1.00 0.00 O ATOM 544 CB ILE A 34 25.438 -18.450 -13.263 1.00 0.00 C ATOM 545 CG1 ILE A 34 25.831 -19.188 -14.538 1.00 0.00 C ATOM 546 CG2 ILE A 34 24.288 -19.179 -12.577 1.00 0.00 C ATOM 547 CD1 ILE A 34 27.230 -18.755 -14.969 1.00 0.00 C ATOM 0 H ILE A 34 26.817 -15.973 -13.386 1.00 0.00 H new ATOM 0 HA ILE A 34 24.235 -17.059 -14.359 1.00 0.00 H new ATOM 0 HB ILE A 34 26.294 -18.420 -12.589 1.00 0.00 H new ATOM 0 HG12 ILE A 34 25.808 -20.265 -14.369 1.00 0.00 H new ATOM 0 HG13 ILE A 34 25.113 -18.975 -15.330 1.00 0.00 H new ATOM 0 HG21 ILE A 34 24.594 -20.197 -12.338 1.00 0.00 H new ATOM 0 HG22 ILE A 34 24.021 -18.655 -11.659 1.00 0.00 H new ATOM 0 HG23 ILE A 34 23.426 -19.206 -13.243 1.00 0.00 H new ATOM 0 HD11 ILE A 34 27.510 -19.283 -15.880 1.00 0.00 H new ATOM 0 HD12 ILE A 34 27.237 -17.681 -15.155 1.00 0.00 H new ATOM 0 HD13 ILE A 34 27.943 -18.991 -14.179 1.00 0.00 H new ATOM 559 N GLY A 35 24.995 -16.644 -11.197 1.00 0.00 N ATOM 560 CA GLY A 35 24.556 -16.030 -9.959 1.00 0.00 C ATOM 561 C GLY A 35 23.035 -16.049 -9.881 1.00 0.00 C ATOM 562 O GLY A 35 22.439 -14.996 -10.198 1.00 0.00 O ATOM 563 OXT GLY A 35 22.496 -17.139 -9.595 1.00 0.00 O ATOM 0 H GLY A 35 25.736 -17.336 -11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 35 24.979 -16.564 -9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 35 24.919 -15.004 -9.903 1.00 0.00 H new TER 567 GLY A 35