USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 751 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 10 GLN : amide:sc= -3.42! C(o=-7!,f=-15!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -3.6! C(o=-7!,f=-7.9!) USER MOD Single : A 1 MET CE :methyl -131:sc= -0.0098 (180deg=-0.342) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0 (180deg=-0.0116) USER MOD Single : A 3 THR OG1 : rot 83:sc= 0.0196 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 143:sc= -3.85! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -150:sc= -3.61! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 30:sc= -0.337 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.017) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.524 (180deg=0.501) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.4) USER MOD Single : A 89 ASN : amide:sc= -0.184 K(o=-0.18,f=-0.79) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.207 -18.142 0.009 1.00 0.00 N ATOM 2 CA MET A 1 9.018 -17.032 0.979 1.00 0.00 C ATOM 3 C MET A 1 9.944 -15.862 0.667 1.00 0.00 C ATOM 4 O MET A 1 10.852 -15.552 1.439 1.00 0.00 O ATOM 5 CB MET A 1 9.297 -17.561 2.386 1.00 0.00 C ATOM 6 CG MET A 1 8.044 -17.741 3.228 1.00 0.00 C ATOM 7 SD MET A 1 6.685 -18.476 2.299 1.00 0.00 S ATOM 8 CE MET A 1 7.234 -20.178 2.187 1.00 0.00 C ATOM 0 H1 MET A 1 8.983 -19.047 0.469 1.00 0.00 H new ATOM 0 H2 MET A 1 8.576 -18.003 -0.806 1.00 0.00 H new ATOM 0 H3 MET A 1 10.195 -18.154 -0.317 1.00 0.00 H new ATOM 0 HA MET A 1 7.993 -16.668 0.909 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.814 -18.518 2.310 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.972 -16.874 2.896 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.275 -18.371 4.087 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.731 -16.773 3.618 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.155 -20.519 1.155 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.272 -20.248 2.514 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.610 -20.804 2.825 1.00 0.00 H new ATOM 18 N LEU A 2 9.708 -15.214 -0.469 1.00 0.00 N ATOM 19 CA LEU A 2 10.519 -14.076 -0.882 1.00 0.00 C ATOM 20 C LEU A 2 9.702 -12.788 -0.849 1.00 0.00 C ATOM 21 O LEU A 2 8.477 -12.814 -0.978 1.00 0.00 O ATOM 22 CB LEU A 2 11.080 -14.305 -2.286 1.00 0.00 C ATOM 23 CG LEU A 2 10.055 -14.210 -3.418 1.00 0.00 C ATOM 24 CD1 LEU A 2 10.564 -13.300 -4.525 1.00 0.00 C ATOM 25 CD2 LEU A 2 9.739 -15.592 -3.968 1.00 0.00 C ATOM 0 H LEU A 2 8.961 -15.458 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 2 11.348 -13.977 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.869 -13.575 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.544 -15.291 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 2 9.137 -13.781 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.821 -13.245 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 2 10.740 -12.302 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.496 -13.700 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.008 -15.505 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.651 -16.047 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.331 -16.216 -3.173 1.00 0.00 H new ATOM 37 N THR A 3 10.387 -11.662 -0.673 1.00 0.00 N ATOM 38 CA THR A 3 9.725 -10.364 -0.623 1.00 0.00 C ATOM 39 C THR A 3 9.464 -9.824 -2.026 1.00 0.00 C ATOM 40 O THR A 3 10.397 -9.568 -2.787 1.00 0.00 O ATOM 41 CB THR A 3 10.564 -9.337 0.162 1.00 0.00 C ATOM 42 OG1 THR A 3 11.639 -9.971 0.869 1.00 0.00 O ATOM 43 CG2 THR A 3 9.702 -8.588 1.167 1.00 0.00 C ATOM 0 H THR A 3 11.400 -11.623 -0.563 1.00 0.00 H new ATOM 0 HA THR A 3 8.774 -10.513 -0.112 1.00 0.00 H new ATOM 0 HB THR A 3 10.974 -8.639 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.396 -10.106 0.261 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.316 -7.869 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.905 -8.061 0.642 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.266 -9.296 1.872 1.00 0.00 H new ATOM 51 N PRO A 4 8.183 -9.649 -2.388 1.00 0.00 N ATOM 52 CA PRO A 4 7.796 -9.140 -3.707 1.00 0.00 C ATOM 53 C PRO A 4 8.500 -7.835 -4.059 1.00 0.00 C ATOM 54 O PRO A 4 9.134 -7.209 -3.211 1.00 0.00 O ATOM 55 CB PRO A 4 6.291 -8.901 -3.573 1.00 0.00 C ATOM 56 CG PRO A 4 5.850 -9.812 -2.480 1.00 0.00 C ATOM 57 CD PRO A 4 7.016 -9.935 -1.536 1.00 0.00 C ATOM 0 HA PRO A 4 8.066 -9.837 -4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.077 -7.860 -3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.772 -9.123 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.976 -9.410 -1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.567 -10.787 -2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.940 -9.228 -0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.074 -10.931 -1.098 1.00 0.00 H new ATOM 65 N ALA A 5 8.369 -7.426 -5.315 1.00 0.00 N ATOM 66 CA ALA A 5 8.976 -6.189 -5.784 1.00 0.00 C ATOM 67 C ALA A 5 7.926 -5.091 -5.868 1.00 0.00 C ATOM 68 O ALA A 5 7.699 -4.512 -6.931 1.00 0.00 O ATOM 69 CB ALA A 5 9.643 -6.386 -7.137 1.00 0.00 C ATOM 0 H ALA A 5 7.846 -7.935 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 5 9.744 -5.893 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.088 -5.446 -7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.420 -7.146 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.899 -6.708 -7.866 1.00 0.00 H new ATOM 75 N PHE A 6 7.280 -4.814 -4.739 1.00 0.00 N ATOM 76 CA PHE A 6 6.244 -3.794 -4.675 1.00 0.00 C ATOM 77 C PHE A 6 6.800 -2.421 -5.033 1.00 0.00 C ATOM 78 O PHE A 6 8.012 -2.241 -5.155 1.00 0.00 O ATOM 79 CB PHE A 6 5.628 -3.761 -3.276 1.00 0.00 C ATOM 80 CG PHE A 6 6.528 -3.162 -2.233 1.00 0.00 C ATOM 81 CD1 PHE A 6 6.522 -1.796 -1.996 1.00 0.00 C ATOM 82 CD2 PHE A 6 7.377 -3.965 -1.488 1.00 0.00 C ATOM 83 CE1 PHE A 6 7.346 -1.242 -1.037 1.00 0.00 C ATOM 84 CE2 PHE A 6 8.205 -3.415 -0.526 1.00 0.00 C ATOM 85 CZ PHE A 6 8.190 -2.053 -0.301 1.00 0.00 C ATOM 0 H PHE A 6 7.459 -5.286 -3.853 1.00 0.00 H new ATOM 0 HA PHE A 6 5.473 -4.048 -5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.699 -3.192 -3.311 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.369 -4.777 -2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.865 -1.158 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.392 -5.031 -1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.331 -0.176 -0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.863 -4.051 0.049 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.837 -1.622 0.449 1.00 0.00 H new ATOM 95 N ASP A 7 5.903 -1.456 -5.202 1.00 0.00 N ATOM 96 CA ASP A 7 6.296 -0.098 -5.547 1.00 0.00 C ATOM 97 C ASP A 7 5.246 0.899 -5.071 1.00 0.00 C ATOM 98 O ASP A 7 4.057 0.586 -5.023 1.00 0.00 O ATOM 99 CB ASP A 7 6.495 0.029 -7.058 1.00 0.00 C ATOM 100 CG ASP A 7 7.407 1.184 -7.428 1.00 0.00 C ATOM 101 OD1 ASP A 7 7.938 1.839 -6.508 1.00 0.00 O ATOM 102 OD2 ASP A 7 7.590 1.431 -8.638 1.00 0.00 O ATOM 0 H ASP A 7 4.897 -1.591 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 7 7.239 0.125 -5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.914 -0.900 -7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.526 0.166 -7.539 1.00 0.00 H new ATOM 107 N LEU A 8 5.691 2.099 -4.719 1.00 0.00 N ATOM 108 CA LEU A 8 4.783 3.135 -4.248 1.00 0.00 C ATOM 109 C LEU A 8 4.772 4.326 -5.200 1.00 0.00 C ATOM 110 O LEU A 8 5.816 4.763 -5.683 1.00 0.00 O ATOM 111 CB LEU A 8 5.175 3.592 -2.841 1.00 0.00 C ATOM 112 CG LEU A 8 5.620 2.474 -1.897 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.355 3.052 -0.696 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.423 1.652 -1.445 1.00 0.00 C ATOM 0 H LEU A 8 6.672 2.377 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 8 3.779 2.712 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.982 4.320 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.326 4.108 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 8 6.304 1.819 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.664 2.243 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.234 3.599 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.693 3.729 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.757 0.861 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.716 2.296 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.937 1.209 -2.314 1.00 0.00 H new ATOM 126 N SER A 9 3.580 4.852 -5.447 1.00 0.00 N ATOM 127 CA SER A 9 3.408 6.005 -6.321 1.00 0.00 C ATOM 128 C SER A 9 2.374 6.939 -5.717 1.00 0.00 C ATOM 129 O SER A 9 1.314 6.495 -5.279 1.00 0.00 O ATOM 130 CB SER A 9 2.976 5.564 -7.723 1.00 0.00 C ATOM 131 OG SER A 9 2.577 6.673 -8.508 1.00 0.00 O ATOM 0 H SER A 9 2.711 4.495 -5.051 1.00 0.00 H new ATOM 0 HA SER A 9 4.360 6.528 -6.414 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.799 5.045 -8.214 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.152 4.854 -7.646 1.00 0.00 H new ATOM 0 HG SER A 9 2.308 6.364 -9.398 1.00 0.00 H new ATOM 137 N GLN A 10 2.690 8.224 -5.656 1.00 0.00 N ATOM 138 CA GLN A 10 1.780 9.185 -5.056 1.00 0.00 C ATOM 139 C GLN A 10 1.545 10.402 -5.944 1.00 0.00 C ATOM 140 O GLN A 10 2.459 10.904 -6.599 1.00 0.00 O ATOM 141 CB GLN A 10 2.330 9.636 -3.704 1.00 0.00 C ATOM 142 CG GLN A 10 3.367 10.742 -3.811 1.00 0.00 C ATOM 143 CD GLN A 10 4.685 10.251 -4.379 1.00 0.00 C ATOM 144 OE1 GLN A 10 4.716 9.536 -5.381 1.00 0.00 O ATOM 145 NE2 GLN A 10 5.784 10.633 -3.739 1.00 0.00 N ATOM 0 H GLN A 10 3.560 8.621 -6.011 1.00 0.00 H new ATOM 0 HA GLN A 10 0.819 8.686 -4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.505 9.981 -3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.775 8.779 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.978 11.540 -4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.538 11.172 -2.824 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.713 11.226 -2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.700 10.333 -4.074 1.00 0.00 H new ATOM 154 N ASP A 11 0.305 10.873 -5.932 1.00 0.00 N ATOM 155 CA ASP A 11 -0.100 12.042 -6.699 1.00 0.00 C ATOM 156 C ASP A 11 -0.219 13.254 -5.780 1.00 0.00 C ATOM 157 O ASP A 11 -0.327 13.111 -4.563 1.00 0.00 O ATOM 158 CB ASP A 11 -1.435 11.783 -7.400 1.00 0.00 C ATOM 159 CG ASP A 11 -1.260 11.384 -8.851 1.00 0.00 C ATOM 160 OD1 ASP A 11 -0.887 12.254 -9.666 1.00 0.00 O ATOM 161 OD2 ASP A 11 -1.494 10.200 -9.173 1.00 0.00 O ATOM 0 H ASP A 11 -0.450 10.454 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 11 0.658 12.243 -7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.972 10.995 -6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.051 12.681 -7.345 1.00 0.00 H new ATOM 166 N PRO A 12 -0.197 14.465 -6.352 1.00 0.00 N ATOM 167 CA PRO A 12 -0.298 15.710 -5.580 1.00 0.00 C ATOM 168 C PRO A 12 -1.624 15.850 -4.831 1.00 0.00 C ATOM 169 O PRO A 12 -1.811 16.798 -4.067 1.00 0.00 O ATOM 170 CB PRO A 12 -0.173 16.806 -6.646 1.00 0.00 C ATOM 171 CG PRO A 12 -0.528 16.139 -7.930 1.00 0.00 C ATOM 172 CD PRO A 12 -0.069 14.716 -7.795 1.00 0.00 C ATOM 0 HA PRO A 12 0.465 15.755 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.844 17.639 -6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.838 17.211 -6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.602 16.188 -8.112 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.040 16.629 -8.773 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.687 14.035 -8.380 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.958 14.588 -8.138 1.00 0.00 H new ATOM 180 N ASP A 13 -2.533 14.900 -5.028 1.00 0.00 N ATOM 181 CA ASP A 13 -3.824 14.922 -4.346 1.00 0.00 C ATOM 182 C ASP A 13 -4.189 13.536 -3.833 1.00 0.00 C ATOM 183 O ASP A 13 -5.327 13.304 -3.425 1.00 0.00 O ATOM 184 CB ASP A 13 -4.920 15.409 -5.290 1.00 0.00 C ATOM 185 CG ASP A 13 -4.658 16.804 -5.820 1.00 0.00 C ATOM 186 OD1 ASP A 13 -4.788 17.771 -5.038 1.00 0.00 O ATOM 187 OD2 ASP A 13 -4.320 16.931 -7.015 1.00 0.00 O ATOM 0 H ASP A 13 -2.400 14.106 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.741 15.606 -3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.006 14.717 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.876 15.397 -4.767 1.00 0.00 H new ATOM 192 N PHE A 14 -3.218 12.627 -3.847 1.00 0.00 N ATOM 193 CA PHE A 14 -3.441 11.257 -3.386 1.00 0.00 C ATOM 194 C PHE A 14 -2.137 10.474 -3.277 1.00 0.00 C ATOM 195 O PHE A 14 -1.084 10.922 -3.721 1.00 0.00 O ATOM 196 CB PHE A 14 -4.363 10.499 -4.354 1.00 0.00 C ATOM 197 CG PHE A 14 -5.665 11.179 -4.660 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.752 12.118 -5.674 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.805 10.873 -3.934 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.952 12.742 -5.958 1.00 0.00 C ATOM 201 CE2 PHE A 14 -8.007 11.493 -4.212 1.00 0.00 C ATOM 202 CZ PHE A 14 -8.081 12.430 -5.225 1.00 0.00 C ATOM 0 H PHE A 14 -2.269 12.813 -4.172 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.901 11.336 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.827 10.337 -5.289 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.575 9.516 -3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.872 12.366 -6.249 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.753 10.141 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.007 13.472 -6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.888 11.246 -3.639 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.020 12.918 -5.443 1.00 0.00 H new ATOM 212 N LEU A 15 -2.245 9.284 -2.700 1.00 0.00 N ATOM 213 CA LEU A 15 -1.110 8.381 -2.542 1.00 0.00 C ATOM 214 C LEU A 15 -1.547 6.967 -2.890 1.00 0.00 C ATOM 215 O LEU A 15 -2.353 6.373 -2.173 1.00 0.00 O ATOM 216 CB LEU A 15 -0.575 8.408 -1.110 1.00 0.00 C ATOM 217 CG LEU A 15 0.353 7.248 -0.748 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.443 6.074 -0.201 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.168 6.822 -1.960 1.00 0.00 C ATOM 0 H LEU A 15 -3.121 8.917 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.313 8.708 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.039 9.345 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.420 8.407 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 15 1.039 7.587 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.236 5.259 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.983 6.385 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.154 5.734 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.823 5.995 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.496 6.503 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.769 7.662 -2.308 1.00 0.00 H new ATOM 231 N THR A 16 -1.030 6.422 -3.985 1.00 0.00 N ATOM 232 CA THR A 16 -1.397 5.078 -4.395 1.00 0.00 C ATOM 233 C THR A 16 -0.266 4.097 -4.124 1.00 0.00 C ATOM 234 O THR A 16 0.912 4.443 -4.219 1.00 0.00 O ATOM 235 CB THR A 16 -1.757 5.023 -5.892 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.901 5.835 -6.185 1.00 0.00 O ATOM 237 CG2 THR A 16 -2.056 3.596 -6.324 1.00 0.00 C ATOM 0 H THR A 16 -0.361 6.888 -4.598 1.00 0.00 H new ATOM 0 HA THR A 16 -2.272 4.797 -3.808 1.00 0.00 H new ATOM 0 HB THR A 16 -0.895 5.404 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.783 6.264 -7.058 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.308 3.582 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.179 2.972 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.896 3.210 -5.747 1.00 0.00 H new ATOM 245 N ILE A 17 -0.638 2.876 -3.785 1.00 0.00 N ATOM 246 CA ILE A 17 0.327 1.829 -3.495 1.00 0.00 C ATOM 247 C ILE A 17 0.176 0.687 -4.492 1.00 0.00 C ATOM 248 O ILE A 17 -0.890 0.509 -5.083 1.00 0.00 O ATOM 249 CB ILE A 17 0.158 1.324 -2.051 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.008 2.523 -1.105 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.343 0.459 -1.644 1.00 0.00 C ATOM 252 CD1 ILE A 17 -0.507 2.162 0.269 1.00 0.00 C ATOM 0 H ILE A 17 -1.611 2.582 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 17 1.332 2.240 -3.592 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.740 0.709 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.976 3.014 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.670 3.247 -1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.205 0.112 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.413 -0.399 -2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.260 1.045 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.585 3.063 0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.490 1.699 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.182 1.463 0.744 1.00 0.00 H new ATOM 264 N ALA A 18 1.243 -0.077 -4.695 1.00 0.00 N ATOM 265 CA ALA A 18 1.205 -1.184 -5.642 1.00 0.00 C ATOM 266 C ALA A 18 2.017 -2.375 -5.146 1.00 0.00 C ATOM 267 O ALA A 18 3.212 -2.258 -4.876 1.00 0.00 O ATOM 268 CB ALA A 18 1.704 -0.741 -7.009 1.00 0.00 C ATOM 0 H ALA A 18 2.138 0.048 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 18 0.166 -1.500 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.667 -1.583 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.072 0.064 -7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.731 -0.386 -6.924 1.00 0.00 H new ATOM 274 N ILE A 19 1.357 -3.522 -5.037 1.00 0.00 N ATOM 275 CA ILE A 19 2.011 -4.741 -4.580 1.00 0.00 C ATOM 276 C ILE A 19 1.825 -5.870 -5.587 1.00 0.00 C ATOM 277 O ILE A 19 0.714 -6.117 -6.056 1.00 0.00 O ATOM 278 CB ILE A 19 1.459 -5.198 -3.218 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.920 -4.001 -2.434 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.536 -5.921 -2.425 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.088 -4.391 -1.231 1.00 0.00 C ATOM 0 H ILE A 19 0.368 -3.633 -5.259 1.00 0.00 H new ATOM 0 HA ILE A 19 3.072 -4.512 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 19 0.637 -5.893 -3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.758 -3.387 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.316 -3.384 -3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.130 -6.238 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.873 -6.795 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.378 -5.249 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.261 -3.492 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.770 -4.980 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.695 -4.983 -0.545 1.00 0.00 H new ATOM 293 N ARG A 20 2.913 -6.562 -5.910 1.00 0.00 N ATOM 294 CA ARG A 20 2.847 -7.670 -6.854 1.00 0.00 C ATOM 295 C ARG A 20 2.918 -9.001 -6.114 1.00 0.00 C ATOM 296 O ARG A 20 3.903 -9.298 -5.439 1.00 0.00 O ATOM 297 CB ARG A 20 3.988 -7.565 -7.873 1.00 0.00 C ATOM 298 CG ARG A 20 4.269 -8.855 -8.634 1.00 0.00 C ATOM 299 CD ARG A 20 5.762 -9.132 -8.717 1.00 0.00 C ATOM 300 NE ARG A 20 6.048 -10.460 -9.252 1.00 0.00 N ATOM 301 CZ ARG A 20 7.191 -10.782 -9.850 1.00 0.00 C ATOM 302 NH1 ARG A 20 8.146 -9.873 -9.991 1.00 0.00 N ATOM 303 NH2 ARG A 20 7.381 -12.013 -10.307 1.00 0.00 N ATOM 0 H ARG A 20 3.843 -6.377 -5.535 1.00 0.00 H new ATOM 0 HA ARG A 20 1.897 -7.620 -7.387 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.749 -6.779 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.896 -7.258 -7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.769 -9.688 -8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.853 -8.785 -9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.235 -8.379 -9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.203 -9.040 -7.724 1.00 0.00 H new ATOM 0 HE ARG A 20 5.332 -11.180 -9.162 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.004 -8.926 -9.641 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.022 -10.121 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.649 -12.715 -10.200 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.259 -12.257 -10.765 1.00 0.00 H new ATOM 317 N VAL A 21 1.857 -9.787 -6.238 1.00 0.00 N ATOM 318 CA VAL A 21 1.786 -11.080 -5.571 1.00 0.00 C ATOM 319 C VAL A 21 1.001 -12.094 -6.395 1.00 0.00 C ATOM 320 O VAL A 21 -0.125 -11.829 -6.816 1.00 0.00 O ATOM 321 CB VAL A 21 1.140 -10.949 -4.179 1.00 0.00 C ATOM 322 CG1 VAL A 21 2.115 -10.318 -3.196 1.00 0.00 C ATOM 323 CG2 VAL A 21 -0.143 -10.136 -4.261 1.00 0.00 C ATOM 0 H VAL A 21 1.034 -9.552 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 21 2.810 -11.436 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 21 0.890 -11.947 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.642 -10.233 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.005 -10.942 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.397 -9.326 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.586 -10.054 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.081 -9.140 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.845 -10.631 -4.932 1.00 0.00 H new ATOM 333 N SER A 22 1.604 -13.258 -6.618 1.00 0.00 N ATOM 334 CA SER A 22 0.966 -14.318 -7.385 1.00 0.00 C ATOM 335 C SER A 22 0.384 -15.379 -6.456 1.00 0.00 C ATOM 336 O SER A 22 -0.783 -15.750 -6.575 1.00 0.00 O ATOM 337 CB SER A 22 1.973 -14.956 -8.344 1.00 0.00 C ATOM 338 OG SER A 22 2.007 -14.269 -9.583 1.00 0.00 O ATOM 0 H SER A 22 2.537 -13.490 -6.276 1.00 0.00 H new ATOM 0 HA SER A 22 0.153 -13.881 -7.964 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.965 -14.947 -7.893 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.709 -16.000 -8.511 1.00 0.00 H new ATOM 0 HG SER A 22 2.660 -14.696 -10.176 1.00 0.00 H new ATOM 344 N TYR A 23 1.206 -15.859 -5.527 1.00 0.00 N ATOM 345 CA TYR A 23 0.772 -16.872 -4.571 1.00 0.00 C ATOM 346 C TYR A 23 -0.405 -16.364 -3.746 1.00 0.00 C ATOM 347 O TYR A 23 -1.095 -17.139 -3.083 1.00 0.00 O ATOM 348 CB TYR A 23 1.925 -17.259 -3.642 1.00 0.00 C ATOM 349 CG TYR A 23 2.948 -18.170 -4.284 1.00 0.00 C ATOM 350 CD1 TYR A 23 3.523 -17.850 -5.507 1.00 0.00 C ATOM 351 CD2 TYR A 23 3.342 -19.348 -3.661 1.00 0.00 C ATOM 352 CE1 TYR A 23 4.460 -18.680 -6.093 1.00 0.00 C ATOM 353 CE2 TYR A 23 4.278 -20.182 -4.241 1.00 0.00 C ATOM 354 CZ TYR A 23 4.834 -19.844 -5.457 1.00 0.00 C ATOM 355 OH TYR A 23 5.768 -20.671 -6.036 1.00 0.00 O ATOM 0 H TYR A 23 2.176 -15.563 -5.416 1.00 0.00 H new ATOM 0 HA TYR A 23 0.455 -17.752 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.424 -16.352 -3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.518 -17.751 -2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.233 -16.938 -6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.910 -19.616 -2.708 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.897 -18.418 -7.045 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.573 -21.095 -3.745 1.00 0.00 H new ATOM 0 HH TYR A 23 5.920 -21.448 -5.458 1.00 0.00 H new ATOM 365 N ALA A 24 -0.625 -15.053 -3.789 1.00 0.00 N ATOM 366 CA ALA A 24 -1.716 -14.436 -3.045 1.00 0.00 C ATOM 367 C ALA A 24 -3.054 -15.067 -3.413 1.00 0.00 C ATOM 368 O ALA A 24 -3.805 -14.527 -4.224 1.00 0.00 O ATOM 369 CB ALA A 24 -1.757 -12.936 -3.287 1.00 0.00 C ATOM 0 H ALA A 24 -0.062 -14.398 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.534 -14.610 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.579 -12.499 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.816 -12.490 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.904 -12.743 -4.350 1.00 0.00 H new ATOM 375 N ARG A 25 -3.346 -16.215 -2.809 1.00 0.00 N ATOM 376 CA ARG A 25 -4.592 -16.923 -3.070 1.00 0.00 C ATOM 377 C ARG A 25 -5.623 -16.635 -1.982 1.00 0.00 C ATOM 378 O ARG A 25 -5.732 -17.380 -1.008 1.00 0.00 O ATOM 379 CB ARG A 25 -4.335 -18.427 -3.154 1.00 0.00 C ATOM 380 CG ARG A 25 -3.977 -18.901 -4.551 1.00 0.00 C ATOM 381 CD ARG A 25 -3.295 -20.256 -4.519 1.00 0.00 C ATOM 382 NE ARG A 25 -4.060 -21.273 -5.238 1.00 0.00 N ATOM 383 CZ ARG A 25 -5.003 -22.023 -4.676 1.00 0.00 C ATOM 384 NH1 ARG A 25 -5.297 -21.875 -3.391 1.00 0.00 N ATOM 385 NH2 ARG A 25 -5.655 -22.923 -5.400 1.00 0.00 N ATOM 0 H ARG A 25 -2.734 -16.674 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.988 -16.571 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.526 -18.688 -2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.223 -18.959 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.880 -18.961 -5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.320 -18.173 -5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.301 -20.172 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.160 -20.569 -3.484 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.859 -21.415 -6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.799 -21.184 -2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.021 -22.452 -2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.433 -23.040 -6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.378 -23.498 -4.968 1.00 0.00 H new ATOM 399 N VAL A 26 -6.375 -15.550 -2.148 1.00 0.00 N ATOM 400 CA VAL A 26 -7.390 -15.173 -1.170 1.00 0.00 C ATOM 401 C VAL A 26 -8.614 -14.554 -1.841 1.00 0.00 C ATOM 402 O VAL A 26 -8.500 -13.859 -2.851 1.00 0.00 O ATOM 403 CB VAL A 26 -6.833 -14.180 -0.130 1.00 0.00 C ATOM 404 CG1 VAL A 26 -6.553 -14.886 1.187 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.577 -13.498 -0.654 1.00 0.00 C ATOM 0 H VAL A 26 -6.301 -14.920 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.687 -16.092 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.586 -13.412 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.161 -14.169 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.477 -15.319 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.821 -15.677 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.201 -12.802 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.816 -14.249 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.813 -12.954 -1.568 1.00 0.00 H new ATOM 415 N SER A 27 -9.784 -14.811 -1.262 1.00 0.00 N ATOM 416 CA SER A 27 -11.042 -14.282 -1.786 1.00 0.00 C ATOM 417 C SER A 27 -11.440 -13.008 -1.048 1.00 0.00 C ATOM 418 O SER A 27 -12.565 -12.526 -1.182 1.00 0.00 O ATOM 419 CB SER A 27 -12.154 -15.324 -1.657 1.00 0.00 C ATOM 420 OG SER A 27 -12.680 -15.670 -2.928 1.00 0.00 O ATOM 0 H SER A 27 -9.888 -15.385 -0.425 1.00 0.00 H new ATOM 0 HA SER A 27 -10.897 -14.046 -2.840 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.765 -16.216 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.951 -14.933 -1.024 1.00 0.00 H new ATOM 0 HG SER A 27 -13.388 -16.339 -2.818 1.00 0.00 H new ATOM 426 N GLU A 28 -10.503 -12.460 -0.282 1.00 0.00 N ATOM 427 CA GLU A 28 -10.744 -11.233 0.468 1.00 0.00 C ATOM 428 C GLU A 28 -9.448 -10.715 1.077 1.00 0.00 C ATOM 429 O GLU A 28 -8.923 -11.298 2.026 1.00 0.00 O ATOM 430 CB GLU A 28 -11.784 -11.467 1.564 1.00 0.00 C ATOM 431 CG GLU A 28 -12.475 -10.194 2.027 1.00 0.00 C ATOM 432 CD GLU A 28 -13.832 -10.459 2.650 1.00 0.00 C ATOM 433 OE1 GLU A 28 -14.721 -10.975 1.941 1.00 0.00 O ATOM 434 OE2 GLU A 28 -14.007 -10.148 3.848 1.00 0.00 O ATOM 0 H GLU A 28 -9.567 -12.848 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.129 -10.483 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.536 -12.166 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.300 -11.939 2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.840 -9.684 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.595 -9.521 1.178 1.00 0.00 H new ATOM 441 N PHE A 29 -8.935 -9.618 0.535 1.00 0.00 N ATOM 442 CA PHE A 29 -7.699 -9.032 1.042 1.00 0.00 C ATOM 443 C PHE A 29 -7.992 -8.089 2.201 1.00 0.00 C ATOM 444 O PHE A 29 -9.045 -7.455 2.246 1.00 0.00 O ATOM 445 CB PHE A 29 -6.962 -8.267 -0.061 1.00 0.00 C ATOM 446 CG PHE A 29 -6.748 -9.057 -1.323 1.00 0.00 C ATOM 447 CD1 PHE A 29 -7.088 -10.399 -1.390 1.00 0.00 C ATOM 448 CD2 PHE A 29 -6.204 -8.449 -2.444 1.00 0.00 C ATOM 449 CE1 PHE A 29 -6.888 -11.120 -2.553 1.00 0.00 C ATOM 450 CE2 PHE A 29 -6.001 -9.165 -3.609 1.00 0.00 C ATOM 451 CZ PHE A 29 -6.344 -10.502 -3.663 1.00 0.00 C ATOM 0 H PHE A 29 -9.352 -9.118 -0.250 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.064 -9.847 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.526 -7.366 -0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.993 -7.945 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.513 -10.887 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.936 -7.404 -2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.157 -12.165 -2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.575 -8.680 -4.475 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.187 -11.064 -4.572 1.00 0.00 H new ATOM 461 N ASP A 30 -7.051 -7.994 3.132 1.00 0.00 N ATOM 462 CA ASP A 30 -7.215 -7.116 4.282 1.00 0.00 C ATOM 463 C ASP A 30 -6.347 -5.873 4.132 1.00 0.00 C ATOM 464 O ASP A 30 -5.120 -5.947 4.197 1.00 0.00 O ATOM 465 CB ASP A 30 -6.858 -7.855 5.573 1.00 0.00 C ATOM 466 CG ASP A 30 -8.056 -8.547 6.194 1.00 0.00 C ATOM 467 OD1 ASP A 30 -9.194 -8.257 5.771 1.00 0.00 O ATOM 468 OD2 ASP A 30 -7.855 -9.378 7.104 1.00 0.00 O ATOM 0 H ASP A 30 -6.172 -8.511 3.113 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.259 -6.808 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.084 -8.593 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.439 -7.148 6.289 1.00 0.00 H new ATOM 473 N VAL A 31 -6.993 -4.731 3.933 1.00 0.00 N ATOM 474 CA VAL A 31 -6.281 -3.471 3.776 1.00 0.00 C ATOM 475 C VAL A 31 -6.708 -2.472 4.839 1.00 0.00 C ATOM 476 O VAL A 31 -7.858 -2.034 4.868 1.00 0.00 O ATOM 477 CB VAL A 31 -6.517 -2.850 2.388 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.385 -1.897 2.032 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.662 -3.935 1.333 1.00 0.00 C ATOM 0 H VAL A 31 -8.008 -4.652 3.877 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.220 -3.695 3.885 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.446 -2.281 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.568 -1.467 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.334 -1.099 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.441 -2.442 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.828 -3.475 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.753 -4.535 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.509 -4.574 1.582 1.00 0.00 H new ATOM 489 N TYR A 32 -5.777 -2.117 5.710 1.00 0.00 N ATOM 490 CA TYR A 32 -6.058 -1.169 6.775 1.00 0.00 C ATOM 491 C TYR A 32 -5.108 0.017 6.704 1.00 0.00 C ATOM 492 O TYR A 32 -3.892 -0.137 6.826 1.00 0.00 O ATOM 493 CB TYR A 32 -5.959 -1.861 8.135 1.00 0.00 C ATOM 494 CG TYR A 32 -7.047 -2.887 8.358 1.00 0.00 C ATOM 495 CD1 TYR A 32 -8.356 -2.496 8.605 1.00 0.00 C ATOM 496 CD2 TYR A 32 -6.766 -4.248 8.312 1.00 0.00 C ATOM 497 CE1 TYR A 32 -9.356 -3.430 8.799 1.00 0.00 C ATOM 498 CE2 TYR A 32 -7.760 -5.187 8.506 1.00 0.00 C ATOM 499 CZ TYR A 32 -9.053 -4.774 8.749 1.00 0.00 C ATOM 500 OH TYR A 32 -10.046 -5.707 8.941 1.00 0.00 O ATOM 0 H TYR A 32 -4.821 -2.471 5.700 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.074 -0.795 6.649 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.987 -2.347 8.219 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.009 -1.110 8.923 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.597 -1.444 8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.755 -4.576 8.122 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.369 -3.109 8.989 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.526 -6.241 8.468 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.666 -6.608 8.873 1.00 0.00 H new ATOM 510 N PHE A 33 -5.674 1.200 6.505 1.00 0.00 N ATOM 511 CA PHE A 33 -4.884 2.420 6.418 1.00 0.00 C ATOM 512 C PHE A 33 -5.279 3.381 7.534 1.00 0.00 C ATOM 513 O PHE A 33 -6.398 3.896 7.556 1.00 0.00 O ATOM 514 CB PHE A 33 -5.074 3.074 5.047 1.00 0.00 C ATOM 515 CG PHE A 33 -6.500 3.441 4.743 1.00 0.00 C ATOM 516 CD1 PHE A 33 -7.031 4.642 5.187 1.00 0.00 C ATOM 517 CD2 PHE A 33 -7.307 2.586 4.010 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.341 4.982 4.906 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.618 2.921 3.727 1.00 0.00 C ATOM 520 CZ PHE A 33 -9.136 4.121 4.175 1.00 0.00 C ATOM 0 H PHE A 33 -6.679 1.340 6.401 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.830 2.170 6.536 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.458 3.972 4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.711 2.393 4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.414 5.320 5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.907 1.647 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.743 5.921 5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.237 2.245 3.156 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.160 4.385 3.954 1.00 0.00 H new ATOM 530 N GLU A 34 -4.364 3.606 8.472 1.00 0.00 N ATOM 531 CA GLU A 34 -4.635 4.492 9.598 1.00 0.00 C ATOM 532 C GLU A 34 -3.434 5.375 9.928 1.00 0.00 C ATOM 533 O GLU A 34 -2.334 4.881 10.177 1.00 0.00 O ATOM 534 CB GLU A 34 -5.029 3.671 10.827 1.00 0.00 C ATOM 535 CG GLU A 34 -4.617 2.211 10.737 1.00 0.00 C ATOM 536 CD GLU A 34 -4.634 1.514 12.083 1.00 0.00 C ATOM 537 OE1 GLU A 34 -4.878 2.195 13.101 1.00 0.00 O ATOM 538 OE2 GLU A 34 -4.404 0.287 12.119 1.00 0.00 O ATOM 0 H GLU A 34 -3.433 3.189 8.475 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.460 5.145 9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.574 4.115 11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.109 3.728 10.961 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.288 1.690 10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.616 2.146 10.311 1.00 0.00 H new ATOM 545 N GLY A 35 -3.663 6.683 9.946 1.00 0.00 N ATOM 546 CA GLY A 35 -2.609 7.631 10.265 1.00 0.00 C ATOM 547 C GLY A 35 -1.257 7.258 9.685 1.00 0.00 C ATOM 548 O GLY A 35 -0.301 7.031 10.426 1.00 0.00 O ATOM 0 H GLY A 35 -4.568 7.108 9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.894 8.616 9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.520 7.711 11.348 1.00 0.00 H new ATOM 552 N SER A 36 -1.169 7.211 8.360 1.00 0.00 N ATOM 553 CA SER A 36 0.084 6.884 7.687 1.00 0.00 C ATOM 554 C SER A 36 0.499 5.437 7.934 1.00 0.00 C ATOM 555 O SER A 36 1.673 5.093 7.801 1.00 0.00 O ATOM 556 CB SER A 36 1.198 7.821 8.155 1.00 0.00 C ATOM 557 OG SER A 36 0.699 8.805 9.044 1.00 0.00 O ATOM 0 H SER A 36 -1.950 7.395 7.730 1.00 0.00 H new ATOM 0 HA SER A 36 -0.080 7.013 6.617 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.979 7.243 8.649 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.656 8.305 7.293 1.00 0.00 H new ATOM 0 HG SER A 36 1.233 9.623 8.960 1.00 0.00 H new ATOM 563 N ASP A 37 -0.461 4.591 8.282 1.00 0.00 N ATOM 564 CA ASP A 37 -0.172 3.184 8.530 1.00 0.00 C ATOM 565 C ASP A 37 -0.923 2.308 7.535 1.00 0.00 C ATOM 566 O ASP A 37 -2.127 2.101 7.664 1.00 0.00 O ATOM 567 CB ASP A 37 -0.556 2.804 9.961 1.00 0.00 C ATOM 568 CG ASP A 37 0.467 1.893 10.609 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.549 0.712 10.208 1.00 0.00 O ATOM 570 OD2 ASP A 37 1.189 2.360 11.515 1.00 0.00 O ATOM 0 H ASP A 37 -1.440 4.851 8.399 1.00 0.00 H new ATOM 0 HA ASP A 37 0.898 3.023 8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.663 3.709 10.559 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.527 2.309 9.955 1.00 0.00 H new ATOM 575 N PHE A 38 -0.203 1.806 6.539 1.00 0.00 N ATOM 576 CA PHE A 38 -0.800 0.963 5.509 1.00 0.00 C ATOM 577 C PHE A 38 -0.469 -0.508 5.734 1.00 0.00 C ATOM 578 O PHE A 38 0.699 -0.891 5.786 1.00 0.00 O ATOM 579 CB PHE A 38 -0.311 1.401 4.127 1.00 0.00 C ATOM 580 CG PHE A 38 -0.808 0.530 3.010 1.00 0.00 C ATOM 581 CD1 PHE A 38 -2.089 0.693 2.509 1.00 0.00 C ATOM 582 CD2 PHE A 38 0.004 -0.452 2.462 1.00 0.00 C ATOM 583 CE1 PHE A 38 -2.552 -0.102 1.481 1.00 0.00 C ATOM 584 CE2 PHE A 38 -0.455 -1.252 1.433 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.734 -1.078 0.941 1.00 0.00 C ATOM 0 H PHE A 38 0.797 1.968 6.422 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.882 1.078 5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.631 2.427 3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.779 1.401 4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.733 1.452 2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.005 -0.593 2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.552 0.038 1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.186 -2.013 1.014 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.094 -1.702 0.137 1.00 0.00 H new ATOM 595 N LYS A 39 -1.507 -1.328 5.862 1.00 0.00 N ATOM 596 CA LYS A 39 -1.327 -2.758 6.078 1.00 0.00 C ATOM 597 C LYS A 39 -2.078 -3.568 5.023 1.00 0.00 C ATOM 598 O LYS A 39 -3.264 -3.345 4.781 1.00 0.00 O ATOM 599 CB LYS A 39 -1.804 -3.145 7.478 1.00 0.00 C ATOM 600 CG LYS A 39 -0.794 -2.830 8.568 1.00 0.00 C ATOM 601 CD LYS A 39 -1.407 -2.965 9.953 1.00 0.00 C ATOM 602 CE LYS A 39 -1.274 -1.676 10.746 1.00 0.00 C ATOM 603 NZ LYS A 39 -1.513 -1.891 12.199 1.00 0.00 N ATOM 0 H LYS A 39 -2.481 -1.027 5.820 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.264 -2.985 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.736 -2.622 7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.026 -4.212 7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.059 -3.502 8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.416 -1.816 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.460 -3.231 9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.918 -3.777 10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.277 -1.261 10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.984 -0.941 10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.413 -0.988 12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.474 -2.263 12.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.820 -2.573 12.568 1.00 0.00 H new ATOM 617 N PHE A 40 -1.374 -4.507 4.398 1.00 0.00 N ATOM 618 CA PHE A 40 -1.962 -5.353 3.366 1.00 0.00 C ATOM 619 C PHE A 40 -1.737 -6.827 3.676 1.00 0.00 C ATOM 620 O PHE A 40 -0.598 -7.271 3.807 1.00 0.00 O ATOM 621 CB PHE A 40 -1.351 -5.029 2.004 1.00 0.00 C ATOM 622 CG PHE A 40 -1.954 -5.824 0.880 1.00 0.00 C ATOM 623 CD1 PHE A 40 -3.228 -5.537 0.414 1.00 0.00 C ATOM 624 CD2 PHE A 40 -1.247 -6.862 0.293 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.784 -6.271 -0.616 1.00 0.00 C ATOM 626 CE2 PHE A 40 -1.798 -7.599 -0.737 1.00 0.00 C ATOM 627 CZ PHE A 40 -3.068 -7.303 -1.192 1.00 0.00 C ATOM 0 H PHE A 40 -0.391 -4.701 4.590 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.034 -5.155 3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.480 -3.966 1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.278 -5.219 2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.792 -4.731 0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.254 -7.097 0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.777 -6.038 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.237 -8.405 -1.186 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.501 -7.878 -1.997 1.00 0.00 H new ATOM 637 N TYR A 41 -2.821 -7.585 3.795 1.00 0.00 N ATOM 638 CA TYR A 41 -2.714 -9.006 4.091 1.00 0.00 C ATOM 639 C TYR A 41 -3.577 -9.834 3.144 1.00 0.00 C ATOM 640 O TYR A 41 -4.774 -9.588 3.001 1.00 0.00 O ATOM 641 CB TYR A 41 -3.125 -9.280 5.539 1.00 0.00 C ATOM 642 CG TYR A 41 -2.468 -8.361 6.545 1.00 0.00 C ATOM 643 CD1 TYR A 41 -1.169 -8.592 6.980 1.00 0.00 C ATOM 644 CD2 TYR A 41 -3.148 -7.265 7.061 1.00 0.00 C ATOM 645 CE1 TYR A 41 -0.566 -7.756 7.902 1.00 0.00 C ATOM 646 CE2 TYR A 41 -2.552 -6.425 7.982 1.00 0.00 C ATOM 647 CZ TYR A 41 -1.261 -6.674 8.399 1.00 0.00 C ATOM 648 OH TYR A 41 -0.665 -5.839 9.316 1.00 0.00 O ATOM 0 H TYR A 41 -3.776 -7.242 3.692 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.673 -9.298 3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.207 -9.182 5.624 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.878 -10.312 5.788 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.621 -9.438 6.592 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.159 -7.066 6.737 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.444 -7.950 8.231 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.095 -5.577 8.374 1.00 0.00 H new ATOM 0 HH TYR A 41 0.303 -5.824 9.164 1.00 0.00 H new ATOM 658 N ALA A 42 -2.963 -10.834 2.522 1.00 0.00 N ATOM 659 CA ALA A 42 -3.673 -11.724 1.612 1.00 0.00 C ATOM 660 C ALA A 42 -3.797 -13.101 2.248 1.00 0.00 C ATOM 661 O ALA A 42 -4.818 -13.438 2.847 1.00 0.00 O ATOM 662 CB ALA A 42 -2.959 -11.820 0.272 1.00 0.00 C ATOM 0 H ALA A 42 -1.972 -11.049 2.632 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.668 -11.318 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.511 -12.490 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.902 -10.831 -0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.952 -12.208 0.423 1.00 0.00 H new ATOM 668 N LYS A 43 -2.726 -13.874 2.143 1.00 0.00 N ATOM 669 CA LYS A 43 -2.665 -15.200 2.733 1.00 0.00 C ATOM 670 C LYS A 43 -1.231 -15.468 3.187 1.00 0.00 C ATOM 671 O LYS A 43 -0.967 -15.584 4.383 1.00 0.00 O ATOM 672 CB LYS A 43 -3.174 -16.267 1.748 1.00 0.00 C ATOM 673 CG LYS A 43 -2.401 -17.579 1.778 1.00 0.00 C ATOM 674 CD LYS A 43 -2.790 -18.429 2.976 1.00 0.00 C ATOM 675 CE LYS A 43 -1.707 -19.441 3.315 1.00 0.00 C ATOM 676 NZ LYS A 43 -2.042 -20.227 4.536 1.00 0.00 N ATOM 0 H LYS A 43 -1.878 -13.599 1.648 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.321 -15.251 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.222 -16.473 1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.133 -15.859 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.590 -18.135 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.331 -17.371 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.971 -17.785 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.724 -18.950 2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.568 -20.120 2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.760 -18.922 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.279 -20.905 4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.149 -19.583 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.932 -20.743 4.384 1.00 0.00 H new ATOM 690 N PRO A 44 -0.274 -15.541 2.242 1.00 0.00 N ATOM 691 CA PRO A 44 1.128 -15.760 2.549 1.00 0.00 C ATOM 692 C PRO A 44 1.922 -14.464 2.531 1.00 0.00 C ATOM 693 O PRO A 44 3.115 -14.448 2.837 1.00 0.00 O ATOM 694 CB PRO A 44 1.557 -16.620 1.375 1.00 0.00 C ATOM 695 CG PRO A 44 0.785 -16.064 0.216 1.00 0.00 C ATOM 696 CD PRO A 44 -0.459 -15.412 0.785 1.00 0.00 C ATOM 0 HA PRO A 44 1.287 -16.193 3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.632 -16.557 1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.322 -17.671 1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.384 -15.338 -0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.520 -16.855 -0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.541 -14.369 0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.366 -15.914 0.449 1.00 0.00 H new ATOM 704 N TYR A 45 1.263 -13.386 2.121 1.00 0.00 N ATOM 705 CA TYR A 45 1.924 -12.097 2.009 1.00 0.00 C ATOM 706 C TYR A 45 1.397 -11.068 3.005 1.00 0.00 C ATOM 707 O TYR A 45 0.207 -10.752 3.019 1.00 0.00 O ATOM 708 CB TYR A 45 1.750 -11.559 0.592 1.00 0.00 C ATOM 709 CG TYR A 45 2.616 -12.261 -0.426 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.995 -12.107 -0.413 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.055 -13.082 -1.395 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.792 -12.752 -1.337 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.846 -13.731 -2.325 1.00 0.00 C ATOM 714 CZ TYR A 45 4.213 -13.562 -2.292 1.00 0.00 C ATOM 715 OH TYR A 45 5.004 -14.205 -3.215 1.00 0.00 O ATOM 0 H TYR A 45 0.276 -13.381 1.862 1.00 0.00 H new ATOM 0 HA TYR A 45 2.977 -12.258 2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.705 -11.658 0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.983 -10.494 0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.452 -11.472 0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.984 -13.216 -1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.864 -12.623 -1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.395 -14.367 -3.073 1.00 0.00 H new ATOM 0 HH TYR A 45 4.440 -14.736 -3.815 1.00 0.00 H new ATOM 725 N PHE A 46 2.299 -10.534 3.822 1.00 0.00 N ATOM 726 CA PHE A 46 1.944 -9.520 4.809 1.00 0.00 C ATOM 727 C PHE A 46 2.735 -8.242 4.541 1.00 0.00 C ATOM 728 O PHE A 46 3.966 -8.257 4.543 1.00 0.00 O ATOM 729 CB PHE A 46 2.228 -10.026 6.228 1.00 0.00 C ATOM 730 CG PHE A 46 2.904 -11.370 6.271 1.00 0.00 C ATOM 731 CD1 PHE A 46 2.340 -12.466 5.638 1.00 0.00 C ATOM 732 CD2 PHE A 46 4.104 -11.535 6.945 1.00 0.00 C ATOM 733 CE1 PHE A 46 2.959 -13.701 5.676 1.00 0.00 C ATOM 734 CE2 PHE A 46 4.728 -12.768 6.986 1.00 0.00 C ATOM 735 CZ PHE A 46 4.155 -13.852 6.350 1.00 0.00 C ATOM 0 H PHE A 46 3.287 -10.788 3.820 1.00 0.00 H new ATOM 0 HA PHE A 46 0.878 -9.308 4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.854 -9.298 6.744 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.288 -10.085 6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.405 -12.354 5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.557 -10.691 7.444 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.508 -14.547 5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.663 -12.884 7.515 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.641 -14.816 6.380 1.00 0.00 H new ATOM 745 N LEU A 47 2.033 -7.138 4.292 1.00 0.00 N ATOM 746 CA LEU A 47 2.699 -5.870 4.005 1.00 0.00 C ATOM 747 C LEU A 47 2.323 -4.776 4.997 1.00 0.00 C ATOM 748 O LEU A 47 1.202 -4.274 4.991 1.00 0.00 O ATOM 749 CB LEU A 47 2.368 -5.397 2.587 1.00 0.00 C ATOM 750 CG LEU A 47 3.569 -5.244 1.645 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.271 -4.208 0.573 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.821 -4.859 2.420 1.00 0.00 C ATOM 0 H LEU A 47 1.014 -7.096 4.283 1.00 0.00 H new ATOM 0 HA LEU A 47 3.769 -6.055 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.667 -6.103 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.856 -4.437 2.653 1.00 0.00 H new ATOM 0 HG LEU A 47 3.749 -6.205 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.132 -4.110 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.403 -4.523 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.064 -3.247 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.659 -4.756 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.655 -3.911 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.047 -5.633 3.153 1.00 0.00 H new ATOM 764 N ARG A 48 3.284 -4.391 5.826 1.00 0.00 N ATOM 765 CA ARG A 48 3.074 -3.331 6.803 1.00 0.00 C ATOM 766 C ARG A 48 4.022 -2.173 6.510 1.00 0.00 C ATOM 767 O ARG A 48 5.241 -2.324 6.596 1.00 0.00 O ATOM 768 CB ARG A 48 3.296 -3.856 8.223 1.00 0.00 C ATOM 769 CG ARG A 48 3.495 -2.756 9.254 1.00 0.00 C ATOM 770 CD ARG A 48 4.966 -2.571 9.588 1.00 0.00 C ATOM 771 NE ARG A 48 5.192 -2.462 11.027 1.00 0.00 N ATOM 772 CZ ARG A 48 6.355 -2.734 11.611 1.00 0.00 C ATOM 773 NH1 ARG A 48 7.384 -3.142 10.882 1.00 0.00 N ATOM 774 NH2 ARG A 48 6.487 -2.600 12.924 1.00 0.00 N ATOM 0 H ARG A 48 4.219 -4.798 5.841 1.00 0.00 H new ATOM 0 HA ARG A 48 2.045 -2.979 6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.440 -4.465 8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.169 -4.509 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.086 -1.820 8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.942 -3.000 10.161 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.536 -3.413 9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.340 -1.674 9.094 1.00 0.00 H new ATOM 0 HE ARG A 48 4.415 -2.161 11.616 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.284 -3.247 9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.276 -3.351 11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.696 -2.288 13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.380 -2.809 13.371 1.00 0.00 H new ATOM 788 N LEU A 49 3.463 -1.025 6.141 1.00 0.00 N ATOM 789 CA LEU A 49 4.277 0.140 5.813 1.00 0.00 C ATOM 790 C LEU A 49 3.695 1.424 6.390 1.00 0.00 C ATOM 791 O LEU A 49 2.478 1.605 6.435 1.00 0.00 O ATOM 792 CB LEU A 49 4.408 0.276 4.295 1.00 0.00 C ATOM 793 CG LEU A 49 5.000 -0.940 3.580 1.00 0.00 C ATOM 794 CD1 LEU A 49 5.113 -0.679 2.086 1.00 0.00 C ATOM 795 CD2 LEU A 49 6.359 -1.296 4.164 1.00 0.00 C ATOM 0 H LEU A 49 2.457 -0.877 6.062 1.00 0.00 H new ATOM 0 HA LEU A 49 5.259 -0.013 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.421 0.478 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.030 1.144 4.077 1.00 0.00 H new ATOM 0 HG LEU A 49 4.330 -1.786 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.536 -1.555 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.124 -0.476 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.760 0.181 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.763 -2.163 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.038 -0.452 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.250 -1.528 5.223 1.00 0.00 H new ATOM 807 N THR A 50 4.580 2.320 6.813 1.00 0.00 N ATOM 808 CA THR A 50 4.173 3.601 7.373 1.00 0.00 C ATOM 809 C THR A 50 4.589 4.740 6.447 1.00 0.00 C ATOM 810 O THR A 50 5.772 4.915 6.156 1.00 0.00 O ATOM 811 CB THR A 50 4.782 3.829 8.768 1.00 0.00 C ATOM 812 OG1 THR A 50 5.510 2.679 9.216 1.00 0.00 O ATOM 813 CG2 THR A 50 3.696 4.143 9.788 1.00 0.00 C ATOM 0 H THR A 50 5.590 2.180 6.778 1.00 0.00 H new ATOM 0 HA THR A 50 3.088 3.584 7.471 1.00 0.00 H new ATOM 0 HB THR A 50 5.464 4.675 8.681 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.886 2.855 10.104 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.150 4.300 10.766 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.163 5.045 9.486 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.996 3.309 9.843 1.00 0.00 H new ATOM 821 N LEU A 51 3.610 5.501 5.974 1.00 0.00 N ATOM 822 CA LEU A 51 3.873 6.611 5.065 1.00 0.00 C ATOM 823 C LEU A 51 4.446 7.817 5.805 1.00 0.00 C ATOM 824 O LEU A 51 4.243 7.980 7.009 1.00 0.00 O ATOM 825 CB LEU A 51 2.592 6.995 4.326 1.00 0.00 C ATOM 826 CG LEU A 51 1.784 5.809 3.797 1.00 0.00 C ATOM 827 CD1 LEU A 51 0.447 6.272 3.240 1.00 0.00 C ATOM 828 CD2 LEU A 51 2.574 5.058 2.737 1.00 0.00 C ATOM 0 H LEU A 51 2.625 5.370 6.205 1.00 0.00 H new ATOM 0 HA LEU A 51 4.620 6.286 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.961 7.577 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.851 7.644 3.489 1.00 0.00 H new ATOM 0 HG LEU A 51 1.589 5.131 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.110 5.412 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.125 6.763 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.616 6.974 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.984 4.217 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.801 5.729 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.504 4.688 3.170 1.00 0.00 H new ATOM 840 N PRO A 52 5.184 8.675 5.081 1.00 0.00 N ATOM 841 CA PRO A 52 5.810 9.874 5.650 1.00 0.00 C ATOM 842 C PRO A 52 4.789 10.936 6.047 1.00 0.00 C ATOM 843 O PRO A 52 5.105 11.861 6.796 1.00 0.00 O ATOM 844 CB PRO A 52 6.699 10.401 4.512 1.00 0.00 C ATOM 845 CG PRO A 52 6.758 9.300 3.504 1.00 0.00 C ATOM 846 CD PRO A 52 5.477 8.534 3.651 1.00 0.00 C ATOM 0 HA PRO A 52 6.355 9.640 6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.281 11.309 4.077 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.695 10.652 4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.860 9.700 2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.620 8.656 3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.682 8.950 3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.593 7.490 3.362 1.00 0.00 H new ATOM 854 N GLY A 53 3.568 10.803 5.541 1.00 0.00 N ATOM 855 CA GLY A 53 2.529 11.767 5.858 1.00 0.00 C ATOM 856 C GLY A 53 1.306 11.123 6.479 1.00 0.00 C ATOM 857 O GLY A 53 1.414 10.388 7.460 1.00 0.00 O ATOM 0 H GLY A 53 3.279 10.048 4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.929 12.514 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.236 12.292 4.949 1.00 0.00 H new ATOM 861 N ARG A 54 0.139 11.408 5.912 1.00 0.00 N ATOM 862 CA ARG A 54 -1.112 10.857 6.417 1.00 0.00 C ATOM 863 C ARG A 54 -2.157 10.785 5.306 1.00 0.00 C ATOM 864 O ARG A 54 -2.159 11.607 4.390 1.00 0.00 O ATOM 865 CB ARG A 54 -1.633 11.707 7.577 1.00 0.00 C ATOM 866 CG ARG A 54 -0.805 11.575 8.847 1.00 0.00 C ATOM 867 CD ARG A 54 0.124 12.765 9.037 1.00 0.00 C ATOM 868 NE ARG A 54 -0.330 13.645 10.110 1.00 0.00 N ATOM 869 CZ ARG A 54 0.486 14.321 10.916 1.00 0.00 C ATOM 870 NH1 ARG A 54 1.803 14.230 10.772 1.00 0.00 N ATOM 871 NH2 ARG A 54 -0.016 15.093 11.870 1.00 0.00 N ATOM 0 H ARG A 54 0.034 12.018 5.101 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.922 9.846 6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.650 12.753 7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.662 11.421 7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.469 11.490 9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.218 10.658 8.805 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.129 12.408 9.261 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.186 13.329 8.107 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.335 13.748 10.251 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.196 13.639 10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.421 14.751 11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.027 15.169 11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.608 15.611 12.488 1.00 0.00 H new ATOM 885 N ILE A 55 -3.047 9.801 5.398 1.00 0.00 N ATOM 886 CA ILE A 55 -4.096 9.629 4.397 1.00 0.00 C ATOM 887 C ILE A 55 -5.477 9.765 5.024 1.00 0.00 C ATOM 888 O ILE A 55 -5.793 9.086 6.002 1.00 0.00 O ATOM 889 CB ILE A 55 -3.993 8.257 3.705 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.618 8.088 3.057 1.00 0.00 C ATOM 891 CG2 ILE A 55 -5.097 8.101 2.671 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.317 9.128 2.001 1.00 0.00 C ATOM 0 H ILE A 55 -3.063 9.114 6.151 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.956 10.414 3.653 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.115 7.478 4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.852 8.135 3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.556 7.097 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.011 7.126 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.068 8.180 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.005 8.885 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.326 8.947 1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.061 9.066 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.346 10.121 2.450 1.00 0.00 H new ATOM 904 N VAL A 56 -6.290 10.658 4.470 1.00 0.00 N ATOM 905 CA VAL A 56 -7.631 10.896 4.993 1.00 0.00 C ATOM 906 C VAL A 56 -8.483 9.631 4.971 1.00 0.00 C ATOM 907 O VAL A 56 -8.232 8.710 4.193 1.00 0.00 O ATOM 908 CB VAL A 56 -8.350 12.001 4.200 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.400 11.653 2.721 1.00 0.00 C ATOM 910 CG2 VAL A 56 -9.749 12.229 4.751 1.00 0.00 C ATOM 0 H VAL A 56 -6.045 11.228 3.660 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.507 11.215 6.028 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.786 12.927 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.912 12.447 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.385 11.547 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.938 10.715 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.242 13.014 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.325 11.307 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.684 12.530 5.797 1.00 0.00 H new ATOM 920 N GLU A 57 -9.498 9.602 5.831 1.00 0.00 N ATOM 921 CA GLU A 57 -10.401 8.459 5.919 1.00 0.00 C ATOM 922 C GLU A 57 -11.815 8.859 5.507 1.00 0.00 C ATOM 923 O GLU A 57 -12.396 9.788 6.068 1.00 0.00 O ATOM 924 CB GLU A 57 -10.422 7.886 7.342 1.00 0.00 C ATOM 925 CG GLU A 57 -9.353 8.450 8.268 1.00 0.00 C ATOM 926 CD GLU A 57 -8.101 7.596 8.300 1.00 0.00 C ATOM 927 OE1 GLU A 57 -7.459 7.442 7.241 1.00 0.00 O ATOM 928 OE2 GLU A 57 -7.762 7.081 9.387 1.00 0.00 O ATOM 0 H GLU A 57 -9.716 10.360 6.478 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.034 7.692 5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.401 8.075 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.302 6.804 7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.093 9.458 7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.758 8.533 9.277 1.00 0.00 H new ATOM 935 N ASN A 58 -12.362 8.153 4.522 1.00 0.00 N ATOM 936 CA ASN A 58 -13.707 8.437 4.034 1.00 0.00 C ATOM 937 C ASN A 58 -14.305 7.208 3.355 1.00 0.00 C ATOM 938 O ASN A 58 -15.466 6.866 3.574 1.00 0.00 O ATOM 939 CB ASN A 58 -13.675 9.611 3.053 1.00 0.00 C ATOM 940 CG ASN A 58 -15.063 10.065 2.645 1.00 0.00 C ATOM 941 OD1 ASN A 58 -15.598 11.032 3.188 1.00 0.00 O ATOM 942 ND2 ASN A 58 -15.654 9.366 1.682 1.00 0.00 N ATOM 0 H ASN A 58 -11.895 7.381 4.047 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.332 8.701 4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.142 10.446 3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.115 9.322 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.588 9.624 1.365 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.173 8.572 1.260 1.00 0.00 H new ATOM 949 N GLY A 59 -13.498 6.557 2.528 1.00 0.00 N ATOM 950 CA GLY A 59 -13.953 5.374 1.821 1.00 0.00 C ATOM 951 C GLY A 59 -14.124 5.622 0.336 1.00 0.00 C ATOM 952 O GLY A 59 -14.514 4.726 -0.410 1.00 0.00 O ATOM 0 H GLY A 59 -12.534 6.827 2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.238 4.566 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.902 5.043 2.244 1.00 0.00 H new ATOM 956 N SER A 60 -13.826 6.845 -0.093 1.00 0.00 N ATOM 957 CA SER A 60 -13.942 7.212 -1.497 1.00 0.00 C ATOM 958 C SER A 60 -12.635 6.940 -2.234 1.00 0.00 C ATOM 959 O SER A 60 -12.274 7.656 -3.168 1.00 0.00 O ATOM 960 CB SER A 60 -14.318 8.690 -1.628 1.00 0.00 C ATOM 961 OG SER A 60 -15.705 8.846 -1.871 1.00 0.00 O ATOM 0 H SER A 60 -13.502 7.598 0.514 1.00 0.00 H new ATOM 0 HA SER A 60 -14.727 6.604 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.044 9.220 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.750 9.142 -2.442 1.00 0.00 H new ATOM 0 HG SER A 60 -15.918 9.799 -1.949 1.00 0.00 H new ATOM 967 N GLU A 61 -11.928 5.901 -1.801 1.00 0.00 N ATOM 968 CA GLU A 61 -10.658 5.531 -2.412 1.00 0.00 C ATOM 969 C GLU A 61 -10.877 4.781 -3.720 1.00 0.00 C ATOM 970 O GLU A 61 -12.005 4.659 -4.199 1.00 0.00 O ATOM 971 CB GLU A 61 -9.842 4.663 -1.451 1.00 0.00 C ATOM 972 CG GLU A 61 -10.514 3.345 -1.103 1.00 0.00 C ATOM 973 CD GLU A 61 -9.929 2.700 0.138 1.00 0.00 C ATOM 974 OE1 GLU A 61 -8.823 3.105 0.551 1.00 0.00 O ATOM 975 OE2 GLU A 61 -10.577 1.789 0.694 1.00 0.00 O ATOM 0 H GLU A 61 -12.214 5.300 -1.028 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.109 6.448 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.869 4.459 -1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.661 5.223 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.580 3.514 -0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.417 2.659 -1.944 1.00 0.00 H new ATOM 982 N GLN A 62 -9.787 4.281 -4.291 1.00 0.00 N ATOM 983 CA GLN A 62 -9.847 3.539 -5.544 1.00 0.00 C ATOM 984 C GLN A 62 -8.975 2.290 -5.468 1.00 0.00 C ATOM 985 O GLN A 62 -7.816 2.356 -5.061 1.00 0.00 O ATOM 986 CB GLN A 62 -9.394 4.426 -6.704 1.00 0.00 C ATOM 987 CG GLN A 62 -10.430 5.460 -7.119 1.00 0.00 C ATOM 988 CD GLN A 62 -11.305 4.982 -8.263 1.00 0.00 C ATOM 989 OE1 GLN A 62 -11.519 3.783 -8.438 1.00 0.00 O ATOM 990 NE2 GLN A 62 -11.815 5.924 -9.049 1.00 0.00 N ATOM 0 H GLN A 62 -8.848 4.377 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.879 3.232 -5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.474 4.938 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.157 3.796 -7.562 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.059 5.703 -6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.923 6.379 -7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.611 6.906 -8.866 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.411 5.665 -9.835 1.00 0.00 H new ATOM 999 N GLY A 63 -9.540 1.151 -5.857 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.795 -0.093 -5.817 1.00 0.00 C ATOM 1001 C GLY A 63 -8.874 -0.868 -7.117 1.00 0.00 C ATOM 1002 O GLY A 63 -9.947 -0.993 -7.710 1.00 0.00 O ATOM 0 H GLY A 63 -10.498 1.068 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.751 0.122 -5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.176 -0.713 -5.006 1.00 0.00 H new ATOM 1006 N SER A 64 -7.736 -1.394 -7.558 1.00 0.00 N ATOM 1007 CA SER A 64 -7.674 -2.166 -8.794 1.00 0.00 C ATOM 1008 C SER A 64 -6.756 -3.373 -8.627 1.00 0.00 C ATOM 1009 O SER A 64 -5.532 -3.235 -8.608 1.00 0.00 O ATOM 1010 CB SER A 64 -7.178 -1.289 -9.945 1.00 0.00 C ATOM 1011 OG SER A 64 -8.246 -0.914 -10.798 1.00 0.00 O ATOM 0 H SER A 64 -6.842 -1.299 -7.076 1.00 0.00 H new ATOM 0 HA SER A 64 -8.678 -2.520 -9.026 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.697 -0.396 -9.545 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.423 -1.828 -10.518 1.00 0.00 H new ATOM 0 HG SER A 64 -7.903 -0.353 -11.524 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.352 -4.552 -8.502 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.586 -5.780 -8.332 1.00 0.00 C ATOM 1019 C TYR A 65 -6.406 -6.506 -9.661 1.00 0.00 C ATOM 1020 O TYR A 65 -7.374 -6.974 -10.261 1.00 0.00 O ATOM 1021 CB TYR A 65 -7.277 -6.702 -7.326 1.00 0.00 C ATOM 1022 CG TYR A 65 -6.589 -8.037 -7.162 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -5.216 -8.112 -6.968 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -7.312 -9.222 -7.201 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -4.581 -9.329 -6.819 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -6.685 -10.445 -7.053 1.00 0.00 C ATOM 1027 CZ TYR A 65 -5.320 -10.492 -6.862 1.00 0.00 C ATOM 1028 OH TYR A 65 -4.693 -11.707 -6.715 1.00 0.00 O ATOM 0 H TYR A 65 -8.363 -4.684 -8.515 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.601 -5.509 -7.953 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.320 -6.203 -6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.306 -6.869 -7.645 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.635 -7.202 -6.933 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.381 -9.187 -7.349 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.512 -9.370 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.261 -11.358 -7.087 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.357 -12.426 -6.769 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.160 -6.603 -10.113 1.00 0.00 N ATOM 1039 CA ASP A 66 -4.851 -7.276 -11.368 1.00 0.00 C ATOM 1040 C ASP A 66 -4.212 -8.636 -11.109 1.00 0.00 C ATOM 1041 O ASP A 66 -3.057 -8.721 -10.692 1.00 0.00 O ATOM 1042 CB ASP A 66 -3.915 -6.415 -12.218 1.00 0.00 C ATOM 1043 CG ASP A 66 -4.590 -5.893 -13.472 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -4.533 -6.588 -14.508 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -5.174 -4.791 -13.418 1.00 0.00 O ATOM 0 H ASP A 66 -4.347 -6.223 -9.628 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.785 -7.427 -11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.559 -5.574 -11.623 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.039 -7.001 -12.497 1.00 0.00 H new ATOM 1050 N ALA A 67 -4.969 -9.700 -11.359 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.472 -11.055 -11.153 1.00 0.00 C ATOM 1052 C ALA A 67 -3.571 -11.484 -12.305 1.00 0.00 C ATOM 1053 O ALA A 67 -2.535 -12.116 -12.097 1.00 0.00 O ATOM 1054 CB ALA A 67 -5.620 -12.039 -10.990 1.00 0.00 C ATOM 0 H ALA A 67 -5.928 -9.650 -11.704 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.885 -11.056 -10.234 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.221 -13.042 -10.838 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.224 -11.754 -10.128 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.239 -12.027 -11.887 1.00 0.00 H new ATOM 1060 N ASP A 68 -3.973 -11.135 -13.524 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.202 -11.483 -14.711 1.00 0.00 C ATOM 1062 C ASP A 68 -1.770 -10.975 -14.593 1.00 0.00 C ATOM 1063 O ASP A 68 -0.815 -11.721 -14.807 1.00 0.00 O ATOM 1064 CB ASP A 68 -3.857 -10.900 -15.966 1.00 0.00 C ATOM 1065 CG ASP A 68 -5.368 -10.848 -15.866 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -5.995 -11.924 -15.775 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -5.926 -9.731 -15.881 1.00 0.00 O ATOM 0 H ASP A 68 -4.828 -10.612 -13.714 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.182 -12.570 -14.793 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.473 -9.894 -16.137 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.575 -11.500 -16.831 1.00 0.00 H new ATOM 1072 N LYS A 69 -1.631 -9.696 -14.256 1.00 0.00 N ATOM 1073 CA LYS A 69 -0.318 -9.079 -14.113 1.00 0.00 C ATOM 1074 C LYS A 69 0.221 -9.254 -12.698 1.00 0.00 C ATOM 1075 O LYS A 69 1.415 -9.082 -12.454 1.00 0.00 O ATOM 1076 CB LYS A 69 -0.399 -7.591 -14.457 1.00 0.00 C ATOM 1077 CG LYS A 69 0.944 -6.880 -14.413 1.00 0.00 C ATOM 1078 CD LYS A 69 0.807 -5.412 -14.784 1.00 0.00 C ATOM 1079 CE LYS A 69 -0.276 -4.729 -13.963 1.00 0.00 C ATOM 1080 NZ LYS A 69 -1.477 -4.410 -14.784 1.00 0.00 N ATOM 0 H LYS A 69 -2.413 -9.067 -14.077 1.00 0.00 H new ATOM 0 HA LYS A 69 0.366 -9.574 -14.803 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.826 -7.480 -15.454 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.082 -7.103 -13.761 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.370 -6.966 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.638 -7.367 -15.098 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.759 -4.905 -14.626 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.571 -5.324 -15.845 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.564 -5.375 -13.134 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.122 -3.811 -13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.192 -3.946 -14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.207 -3.773 -15.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.872 -5.288 -15.177 1.00 0.00 H new ATOM 1094 N GLY A 70 -0.666 -9.595 -11.768 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.255 -9.782 -10.388 1.00 0.00 C ATOM 1096 C GLY A 70 0.211 -8.489 -9.748 1.00 0.00 C ATOM 1097 O GLY A 70 1.374 -8.363 -9.366 1.00 0.00 O ATOM 0 H GLY A 70 -1.659 -9.745 -11.945 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.088 -10.189 -9.815 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.550 -10.516 -10.347 1.00 0.00 H new ATOM 1101 N ILE A 71 -0.699 -7.525 -9.635 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.372 -6.233 -9.041 1.00 0.00 C ATOM 1103 C ILE A 71 -1.624 -5.514 -8.545 1.00 0.00 C ATOM 1104 O ILE A 71 -2.528 -5.215 -9.326 1.00 0.00 O ATOM 1105 CB ILE A 71 0.350 -5.314 -10.047 1.00 0.00 C ATOM 1106 CG1 ILE A 71 1.655 -5.952 -10.529 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.623 -3.957 -9.419 1.00 0.00 C ATOM 1108 CD1 ILE A 71 2.369 -5.140 -11.588 1.00 0.00 C ATOM 0 H ILE A 71 -1.666 -7.614 -9.946 1.00 0.00 H new ATOM 0 HA ILE A 71 0.288 -6.441 -8.199 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.300 -5.176 -10.911 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.320 -6.088 -9.676 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.440 -6.944 -10.927 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.133 -3.318 -10.140 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.320 -3.494 -9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.252 -4.084 -8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.285 -5.652 -11.883 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.721 -5.026 -12.457 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.615 -4.157 -11.188 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.664 -5.224 -7.249 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.800 -4.523 -6.659 1.00 0.00 C ATOM 1122 C PHE A 72 -2.474 -3.043 -6.476 1.00 0.00 C ATOM 1123 O PHE A 72 -1.575 -2.685 -5.716 1.00 0.00 O ATOM 1124 CB PHE A 72 -3.179 -5.145 -5.314 1.00 0.00 C ATOM 1125 CG PHE A 72 -4.175 -4.327 -4.541 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -5.302 -3.814 -5.163 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.983 -4.070 -3.194 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -6.219 -3.060 -4.455 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.896 -3.316 -2.480 1.00 0.00 C ATOM 1130 CZ PHE A 72 -6.015 -2.810 -3.112 1.00 0.00 C ATOM 0 H PHE A 72 -0.925 -5.463 -6.588 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.648 -4.617 -7.337 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.590 -6.140 -5.485 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.278 -5.271 -4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.466 -4.006 -6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.110 -4.463 -2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.094 -2.667 -4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.734 -3.123 -1.430 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.729 -2.220 -2.557 1.00 0.00 H new ATOM 1140 N THR A 73 -3.210 -2.189 -7.178 1.00 0.00 N ATOM 1141 CA THR A 73 -2.999 -0.748 -7.095 1.00 0.00 C ATOM 1142 C THR A 73 -4.205 -0.051 -6.476 1.00 0.00 C ATOM 1143 O THR A 73 -5.312 -0.115 -7.009 1.00 0.00 O ATOM 1144 CB THR A 73 -2.726 -0.142 -8.485 1.00 0.00 C ATOM 1145 OG1 THR A 73 -2.168 -1.115 -9.379 1.00 0.00 O ATOM 1146 CG2 THR A 73 -1.762 1.029 -8.388 1.00 0.00 C ATOM 0 H THR A 73 -3.959 -2.469 -7.811 1.00 0.00 H new ATOM 0 HA THR A 73 -2.127 -0.590 -6.460 1.00 0.00 H new ATOM 0 HB THR A 73 -3.685 0.200 -8.874 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.007 -0.702 -10.253 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.586 1.439 -9.383 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.190 1.801 -7.748 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.818 0.689 -7.964 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.989 0.607 -5.339 1.00 0.00 N ATOM 1155 CA ILE A 74 -5.068 1.304 -4.647 1.00 0.00 C ATOM 1156 C ILE A 74 -4.700 2.751 -4.331 1.00 0.00 C ATOM 1157 O ILE A 74 -3.736 3.014 -3.611 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.434 0.588 -3.334 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.492 1.385 -2.570 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -4.193 0.389 -2.477 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.836 0.694 -2.505 1.00 0.00 C ATOM 0 H ILE A 74 -3.080 0.671 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.924 1.298 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.848 -0.391 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.136 1.567 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.615 2.359 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.467 -0.118 -1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.468 -0.216 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.753 1.358 -2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.538 1.315 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.213 0.536 -3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.727 -0.268 -2.004 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.479 3.686 -4.868 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.243 5.109 -4.639 1.00 0.00 C ATOM 1175 C ARG A 75 -5.919 5.567 -3.352 1.00 0.00 C ATOM 1176 O ARG A 75 -7.010 5.110 -3.012 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.753 5.932 -5.823 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.568 5.243 -7.166 1.00 0.00 C ATOM 1179 CD ARG A 75 -6.336 5.953 -8.271 1.00 0.00 C ATOM 1180 NE ARG A 75 -6.172 7.404 -8.213 1.00 0.00 N ATOM 1181 CZ ARG A 75 -6.754 8.244 -9.063 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -7.528 7.778 -10.034 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -6.564 9.551 -8.942 1.00 0.00 N ATOM 0 H ARG A 75 -6.280 3.484 -5.466 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.169 5.264 -4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.812 6.147 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.233 6.890 -5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.508 5.216 -7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.905 4.209 -7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.995 5.589 -9.240 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.395 5.705 -8.192 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.579 7.793 -7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.677 6.774 -10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.974 8.424 -10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.970 9.913 -8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.011 10.194 -9.595 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.252 6.463 -2.633 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.777 6.973 -1.374 1.00 0.00 C ATOM 1199 C LEU A 76 -5.708 8.498 -1.315 1.00 0.00 C ATOM 1200 O LEU A 76 -4.734 9.103 -1.761 1.00 0.00 O ATOM 1201 CB LEU A 76 -4.992 6.375 -0.208 1.00 0.00 C ATOM 1202 CG LEU A 76 -4.925 4.849 -0.185 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.481 4.377 -0.262 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -5.597 4.308 1.068 1.00 0.00 C ATOM 0 H LEU A 76 -4.347 6.850 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.825 6.681 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.975 6.767 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.440 6.717 0.725 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.458 4.466 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.453 3.288 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.029 4.737 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.924 4.768 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.541 3.219 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.090 4.699 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.642 4.618 1.083 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.747 9.137 -0.753 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.805 10.595 -0.624 1.00 0.00 C ATOM 1218 C PRO A 77 -5.927 11.104 0.516 1.00 0.00 C ATOM 1219 O PRO A 77 -5.743 10.423 1.528 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.281 10.857 -0.327 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.754 9.624 0.365 1.00 0.00 C ATOM 1222 CD PRO A 77 -7.942 8.481 -0.191 1.00 0.00 C ATOM 0 HA PRO A 77 -6.439 11.107 -1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.408 11.738 0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.843 11.037 -1.243 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.618 9.708 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.818 9.465 0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.676 7.764 0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.494 7.933 -0.955 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.388 12.308 0.352 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.529 12.896 1.371 1.00 0.00 C ATOM 1232 C LYS A 78 -5.322 13.778 2.326 1.00 0.00 C ATOM 1233 O LYS A 78 -6.382 14.299 1.978 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.419 13.720 0.716 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.731 13.008 -0.437 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.282 13.443 -0.572 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.449 12.391 -1.284 1.00 0.00 C ATOM 1238 NZ LYS A 78 0.903 12.245 -0.676 1.00 0.00 N ATOM 0 H LYS A 78 -5.530 12.892 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.089 12.079 1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.840 14.658 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.675 13.975 1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.776 11.930 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.263 13.217 -1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.233 14.382 -1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.864 13.632 0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.968 11.433 -1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.347 12.660 -2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.420 11.483 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.427 13.137 -0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.807 12.013 0.333 1.00 0.00 H new ATOM 1252 N GLU A 79 -4.786 13.950 3.528 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.422 14.780 4.539 1.00 0.00 C ATOM 1254 C GLU A 79 -5.061 16.246 4.318 1.00 0.00 C ATOM 1255 O GLU A 79 -5.700 17.146 4.863 1.00 0.00 O ATOM 1256 CB GLU A 79 -4.989 14.333 5.937 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.416 15.283 7.043 1.00 0.00 C ATOM 1258 CD GLU A 79 -5.722 14.562 8.342 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -4.867 13.776 8.802 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -6.817 14.786 8.901 1.00 0.00 O ATOM 0 H GLU A 79 -3.909 13.523 3.826 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.503 14.669 4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.405 13.346 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.904 14.232 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.626 16.014 7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.298 15.836 6.722 1.00 0.00 H new ATOM 1267 N THR A 80 -4.032 16.471 3.505 1.00 0.00 N ATOM 1268 CA THR A 80 -3.575 17.818 3.194 1.00 0.00 C ATOM 1269 C THR A 80 -3.234 17.943 1.713 1.00 0.00 C ATOM 1270 O THR A 80 -2.176 17.493 1.270 1.00 0.00 O ATOM 1271 CB THR A 80 -2.333 18.196 4.023 1.00 0.00 C ATOM 1272 OG1 THR A 80 -2.500 17.850 5.404 1.00 0.00 O ATOM 1273 CG2 THR A 80 -2.052 19.687 3.931 1.00 0.00 C ATOM 0 H THR A 80 -3.498 15.732 3.049 1.00 0.00 H new ATOM 0 HA THR A 80 -4.390 18.498 3.444 1.00 0.00 H new ATOM 0 HB THR A 80 -1.495 17.635 3.609 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.695 18.101 5.904 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.170 19.928 4.525 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.875 19.960 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.909 20.243 4.311 1.00 0.00 H new ATOM 1281 N PRO A 81 -4.129 18.556 0.925 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.918 18.740 -0.511 1.00 0.00 C ATOM 1283 C PRO A 81 -2.506 19.227 -0.822 1.00 0.00 C ATOM 1284 O PRO A 81 -1.898 19.940 -0.024 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.951 19.803 -0.878 1.00 0.00 C ATOM 1286 CG PRO A 81 -6.057 19.605 0.102 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.412 19.122 1.377 1.00 0.00 C ATOM 0 HA PRO A 81 -4.027 17.812 -1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.531 20.806 -0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.302 19.678 -1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.600 20.536 0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.779 18.877 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.263 19.938 2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.026 18.373 1.878 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.988 18.840 -1.984 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.652 19.254 -2.368 1.00 0.00 C ATOM 1297 C GLY A 82 0.432 18.514 -1.608 1.00 0.00 C ATOM 1298 O GLY A 82 1.620 18.755 -1.820 1.00 0.00 O ATOM 0 H GLY A 82 -2.468 18.250 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.518 19.088 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.544 20.325 -2.195 1.00 0.00 H new ATOM 1302 N GLN A 83 0.025 17.608 -0.723 1.00 0.00 N ATOM 1303 CA GLN A 83 0.978 16.831 0.064 1.00 0.00 C ATOM 1304 C GLN A 83 1.620 15.746 -0.794 1.00 0.00 C ATOM 1305 O GLN A 83 0.933 15.029 -1.520 1.00 0.00 O ATOM 1306 CB GLN A 83 0.286 16.200 1.275 1.00 0.00 C ATOM 1307 CG GLN A 83 1.155 15.206 2.024 1.00 0.00 C ATOM 1308 CD GLN A 83 1.148 15.440 3.523 1.00 0.00 C ATOM 1309 OE1 GLN A 83 0.126 15.811 4.101 1.00 0.00 O ATOM 1310 NE2 GLN A 83 2.292 15.225 4.161 1.00 0.00 N ATOM 0 H GLN A 83 -0.954 17.394 -0.533 1.00 0.00 H new ATOM 0 HA GLN A 83 1.758 17.505 0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.020 16.990 1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.622 15.697 0.942 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.806 14.195 1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.178 15.272 1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.115 14.918 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.348 15.367 5.170 1.00 0.00 H new ATOM 1319 N HIS A 84 2.941 15.634 -0.709 1.00 0.00 N ATOM 1320 CA HIS A 84 3.671 14.639 -1.482 1.00 0.00 C ATOM 1321 C HIS A 84 4.583 13.807 -0.586 1.00 0.00 C ATOM 1322 O HIS A 84 5.424 14.346 0.133 1.00 0.00 O ATOM 1323 CB HIS A 84 4.498 15.320 -2.574 1.00 0.00 C ATOM 1324 CG HIS A 84 4.866 14.407 -3.702 1.00 0.00 C ATOM 1325 ND1 HIS A 84 6.172 14.120 -4.042 1.00 0.00 N ATOM 1326 CD2 HIS A 84 4.093 13.715 -4.570 1.00 0.00 C ATOM 1327 CE1 HIS A 84 6.184 13.292 -5.072 1.00 0.00 C ATOM 1328 NE2 HIS A 84 4.935 13.031 -5.410 1.00 0.00 N ATOM 0 H HIS A 84 3.526 16.219 -0.113 1.00 0.00 H new ATOM 0 HA HIS A 84 2.943 13.973 -1.944 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.936 16.166 -2.970 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.409 15.722 -2.131 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.013 13.703 -4.597 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.065 12.896 -5.555 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.643 12.420 -6.172 1.00 0.00 H new ATOM 1337 N PHE A 85 4.412 12.490 -0.638 1.00 0.00 N ATOM 1338 CA PHE A 85 5.220 11.583 0.163 1.00 0.00 C ATOM 1339 C PHE A 85 6.552 11.302 -0.525 1.00 0.00 C ATOM 1340 O PHE A 85 6.668 10.376 -1.327 1.00 0.00 O ATOM 1341 CB PHE A 85 4.461 10.278 0.391 1.00 0.00 C ATOM 1342 CG PHE A 85 3.294 10.418 1.327 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.839 11.670 1.712 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.651 9.295 1.823 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.765 11.798 2.572 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.577 9.417 2.684 1.00 0.00 C ATOM 1347 CZ PHE A 85 1.133 10.670 3.059 1.00 0.00 C ATOM 0 H PHE A 85 3.720 12.028 -1.228 1.00 0.00 H new ATOM 0 HA PHE A 85 5.422 12.052 1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.104 9.902 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.149 9.532 0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.330 12.555 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.993 8.313 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.420 12.779 2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.085 8.533 3.063 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.294 10.768 3.731 1.00 0.00 H new ATOM 1357 N GLU A 86 7.549 12.122 -0.215 1.00 0.00 N ATOM 1358 CA GLU A 86 8.871 11.989 -0.808 1.00 0.00 C ATOM 1359 C GLU A 86 9.643 10.805 -0.229 1.00 0.00 C ATOM 1360 O GLU A 86 9.203 10.159 0.723 1.00 0.00 O ATOM 1361 CB GLU A 86 9.666 13.277 -0.595 1.00 0.00 C ATOM 1362 CG GLU A 86 8.872 14.538 -0.895 1.00 0.00 C ATOM 1363 CD GLU A 86 9.662 15.802 -0.618 1.00 0.00 C ATOM 1364 OE1 GLU A 86 10.416 15.824 0.378 1.00 0.00 O ATOM 1365 OE2 GLU A 86 9.527 16.770 -1.396 1.00 0.00 O ATOM 0 H GLU A 86 7.464 12.891 0.449 1.00 0.00 H new ATOM 0 HA GLU A 86 8.736 11.806 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.013 13.313 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.552 13.256 -1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.563 14.529 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.963 14.543 -0.294 1.00 0.00 H new ATOM 1372 N GLY A 87 10.809 10.547 -0.813 1.00 0.00 N ATOM 1373 CA GLY A 87 11.665 9.464 -0.363 1.00 0.00 C ATOM 1374 C GLY A 87 10.907 8.218 0.057 1.00 0.00 C ATOM 1375 O GLY A 87 11.312 7.533 0.997 1.00 0.00 O ATOM 0 H GLY A 87 11.180 11.077 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.357 9.204 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.266 9.813 0.477 1.00 0.00 H new ATOM 1379 N LEU A 88 9.814 7.910 -0.634 1.00 0.00 N ATOM 1380 CA LEU A 88 9.031 6.723 -0.305 1.00 0.00 C ATOM 1381 C LEU A 88 9.901 5.475 -0.400 1.00 0.00 C ATOM 1382 O LEU A 88 10.119 4.785 0.597 1.00 0.00 O ATOM 1383 CB LEU A 88 7.823 6.601 -1.231 1.00 0.00 C ATOM 1384 CG LEU A 88 6.526 7.181 -0.669 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.395 7.045 -1.678 1.00 0.00 C ATOM 1386 CD2 LEU A 88 6.163 6.494 0.640 1.00 0.00 C ATOM 0 H LEU A 88 9.453 8.457 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 88 8.669 6.821 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.051 7.102 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.664 5.548 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 88 6.679 8.242 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.481 7.464 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.655 7.582 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.238 5.991 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.237 6.918 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.029 5.426 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.963 6.645 1.364 1.00 0.00 H new ATOM 1398 N ASN A 89 10.416 5.195 -1.596 1.00 0.00 N ATOM 1399 CA ASN A 89 11.281 4.040 -1.798 1.00 0.00 C ATOM 1400 C ASN A 89 12.701 4.349 -1.328 1.00 0.00 C ATOM 1401 O ASN A 89 13.612 3.535 -1.488 1.00 0.00 O ATOM 1402 CB ASN A 89 11.298 3.633 -3.273 1.00 0.00 C ATOM 1403 CG ASN A 89 9.936 3.769 -3.926 1.00 0.00 C ATOM 1404 OD1 ASN A 89 8.904 3.595 -3.279 1.00 0.00 O ATOM 1405 ND2 ASN A 89 9.928 4.081 -5.216 1.00 0.00 N ATOM 0 H ASN A 89 10.249 5.751 -2.435 1.00 0.00 H new ATOM 0 HA ASN A 89 10.886 3.211 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.018 4.251 -3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.637 2.601 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.042 4.186 -5.710 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.808 4.216 -5.713 1.00 0.00 H new ATOM 1412 N MET A 90 12.871 5.523 -0.727 1.00 0.00 N ATOM 1413 CA MET A 90 14.161 5.945 -0.205 1.00 0.00 C ATOM 1414 C MET A 90 14.061 6.128 1.302 1.00 0.00 C ATOM 1415 O MET A 90 14.873 6.819 1.916 1.00 0.00 O ATOM 1416 CB MET A 90 14.604 7.250 -0.867 1.00 0.00 C ATOM 1417 CG MET A 90 15.089 7.073 -2.297 1.00 0.00 C ATOM 1418 SD MET A 90 15.599 8.627 -3.053 1.00 0.00 S ATOM 1419 CE MET A 90 17.369 8.381 -3.169 1.00 0.00 C ATOM 0 H MET A 90 12.122 6.202 -0.590 1.00 0.00 H new ATOM 0 HA MET A 90 14.904 5.179 -0.428 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.771 7.953 -0.859 1.00 0.00 H new ATOM 0 HB3 MET A 90 15.403 7.696 -0.274 1.00 0.00 H new ATOM 0 HG2 MET A 90 15.926 6.375 -2.309 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.294 6.627 -2.894 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.830 9.260 -3.619 1.00 0.00 H new ATOM 0 HE2 MET A 90 17.781 8.225 -2.172 1.00 0.00 H new ATOM 0 HE3 MET A 90 17.575 7.507 -3.787 1.00 0.00 H new ATOM 1429 N LEU A 91 13.050 5.494 1.887 1.00 0.00 N ATOM 1430 CA LEU A 91 12.815 5.565 3.321 1.00 0.00 C ATOM 1431 C LEU A 91 13.387 4.333 4.011 1.00 0.00 C ATOM 1432 O LEU A 91 13.914 3.433 3.357 1.00 0.00 O ATOM 1433 CB LEU A 91 11.310 5.689 3.603 1.00 0.00 C ATOM 1434 CG LEU A 91 10.592 4.382 3.960 1.00 0.00 C ATOM 1435 CD1 LEU A 91 9.135 4.649 4.304 1.00 0.00 C ATOM 1436 CD2 LEU A 91 10.692 3.380 2.819 1.00 0.00 C ATOM 0 H LEU A 91 12.375 4.920 1.382 1.00 0.00 H new ATOM 0 HA LEU A 91 13.318 6.447 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.169 6.395 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.828 6.119 2.725 1.00 0.00 H new ATOM 0 HG LEU A 91 11.082 3.955 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.642 3.710 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.081 5.326 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.636 5.103 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.175 2.461 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.232 3.800 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 91 11.741 3.160 2.618 1.00 0.00 H new ATOM 1448 N THR A 92 13.282 4.293 5.334 1.00 0.00 N ATOM 1449 CA THR A 92 13.791 3.165 6.101 1.00 0.00 C ATOM 1450 C THR A 92 12.785 2.735 7.163 1.00 0.00 C ATOM 1451 O THR A 92 11.812 3.441 7.426 1.00 0.00 O ATOM 1452 CB THR A 92 15.135 3.504 6.772 1.00 0.00 C ATOM 1453 OG1 THR A 92 15.103 4.801 7.381 1.00 0.00 O ATOM 1454 CG2 THR A 92 16.264 3.477 5.753 1.00 0.00 C ATOM 0 H THR A 92 12.850 5.027 5.896 1.00 0.00 H new ATOM 0 HA THR A 92 13.949 2.343 5.403 1.00 0.00 H new ATOM 0 HB THR A 92 15.308 2.751 7.541 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.969 4.987 7.800 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.205 3.719 6.246 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.331 2.483 5.311 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.066 4.210 4.971 1.00 0.00 H new ATOM 1462 N ALA A 93 13.014 1.572 7.762 1.00 0.00 N ATOM 1463 CA ALA A 93 12.113 1.054 8.784 1.00 0.00 C ATOM 1464 C ALA A 93 12.618 1.367 10.189 1.00 0.00 C ATOM 1465 O ALA A 93 13.775 1.111 10.519 1.00 0.00 O ATOM 1466 CB ALA A 93 11.920 -0.448 8.624 1.00 0.00 C ATOM 0 H ALA A 93 13.813 0.972 7.558 1.00 0.00 H new ATOM 0 HA ALA A 93 11.152 1.551 8.650 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.244 -0.812 9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.495 -0.658 7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.883 -0.951 8.717 1.00 0.00 H new ATOM 1472 N LEU A 94 11.731 1.916 11.014 1.00 0.00 N ATOM 1473 CA LEU A 94 12.069 2.256 12.391 1.00 0.00 C ATOM 1474 C LEU A 94 11.189 1.476 13.357 1.00 0.00 C ATOM 1475 O LEU A 94 9.969 1.427 13.197 1.00 0.00 O ATOM 1476 CB LEU A 94 11.895 3.757 12.627 1.00 0.00 C ATOM 1477 CG LEU A 94 11.100 4.490 11.550 1.00 0.00 C ATOM 1478 CD1 LEU A 94 10.520 5.783 12.099 1.00 0.00 C ATOM 1479 CD2 LEU A 94 11.982 4.763 10.344 1.00 0.00 C ATOM 0 H LEU A 94 10.770 2.135 10.751 1.00 0.00 H new ATOM 0 HA LEU A 94 13.111 1.990 12.566 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.399 3.904 13.587 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.881 4.214 12.704 1.00 0.00 H new ATOM 0 HG LEU A 94 10.271 3.856 11.236 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.957 6.291 11.316 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.857 5.559 12.935 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.329 6.429 12.441 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.405 5.286 9.582 1.00 0.00 H new ATOM 0 HD22 LEU A 94 12.829 5.380 10.645 1.00 0.00 H new ATOM 0 HD23 LEU A 94 12.346 3.819 9.939 1.00 0.00 H new ATOM 1491 N LEU A 95 11.809 0.860 14.356 1.00 0.00 N ATOM 1492 CA LEU A 95 11.071 0.079 15.335 1.00 0.00 C ATOM 1493 C LEU A 95 10.473 0.975 16.416 1.00 0.00 C ATOM 1494 O LEU A 95 11.193 1.676 17.126 1.00 0.00 O ATOM 1495 CB LEU A 95 11.979 -0.977 15.968 1.00 0.00 C ATOM 1496 CG LEU A 95 12.028 -2.315 15.228 1.00 0.00 C ATOM 1497 CD1 LEU A 95 12.304 -2.098 13.748 1.00 0.00 C ATOM 1498 CD2 LEU A 95 13.084 -3.223 15.841 1.00 0.00 C ATOM 0 H LEU A 95 12.817 0.887 14.508 1.00 0.00 H new ATOM 0 HA LEU A 95 10.253 -0.422 14.818 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.990 -0.575 16.029 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.645 -1.156 16.990 1.00 0.00 H new ATOM 0 HG LEU A 95 11.057 -2.799 15.328 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.335 -3.061 13.239 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.513 -1.485 13.316 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.262 -1.592 13.627 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.106 -4.171 15.303 1.00 0.00 H new ATOM 0 HD22 LEU A 95 14.061 -2.744 15.772 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.843 -3.406 16.888 1.00 0.00 H new ATOM 1510 N ALA A 96 9.149 0.943 16.533 1.00 0.00 N ATOM 1511 CA ALA A 96 8.446 1.750 17.523 1.00 0.00 C ATOM 1512 C ALA A 96 8.464 3.225 17.138 1.00 0.00 C ATOM 1513 O ALA A 96 7.858 4.034 17.872 1.00 0.00 O ATOM 1514 CB ALA A 96 9.047 1.561 18.907 1.00 0.00 C ATOM 1515 OXT ALA A 96 9.084 3.559 16.106 1.00 0.00 O ATOM 0 H ALA A 96 8.541 0.365 15.953 1.00 0.00 H new ATOM 0 HA ALA A 96 7.410 1.412 17.548 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.504 2.174 19.626 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.974 0.512 19.195 1.00 0.00 H new ATOM 0 HB3 ALA A 96 10.095 1.861 18.893 1.00 0.00 H new TER 1521 ALA A 96