USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 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 Single : A 1 LYS N :NH3+ 154:sc= 0.00404 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0134) USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= -1.26 (180deg=-2.03) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -12! C(o=-12!,f=-12!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.87! C(o=-1.9!,f=-1.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.789 K(o=-0.79,f=-0.22) USER MOD Single : A 41 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.3) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00695) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0291 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.306 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -17.225 1.152 3.914 1.00 0.00 N ATOM 2 CA LYS A 1 -16.268 2.270 4.148 1.00 0.00 C ATOM 3 C LYS A 1 -16.793 3.535 3.473 1.00 0.00 C ATOM 4 O LYS A 1 -17.298 3.490 2.351 1.00 0.00 O ATOM 5 CB LYS A 1 -14.890 1.889 3.579 1.00 0.00 C ATOM 6 CG LYS A 1 -13.788 2.659 4.317 1.00 0.00 C ATOM 7 CD LYS A 1 -12.418 2.184 3.830 1.00 0.00 C ATOM 8 CE LYS A 1 -11.321 2.991 4.530 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.135 2.475 5.916 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.718 0.245 3.961 1.00 0.00 H new ATOM 0 H2 LYS A 1 -17.967 1.172 4.642 1.00 0.00 H new ATOM 0 H3 LYS A 1 -17.659 1.257 2.975 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.168 2.457 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.728 0.816 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.852 2.115 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.897 3.729 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.878 2.502 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.293 1.122 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.341 2.306 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.387 2.915 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.591 4.047 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.334 2.964 6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.999 2.647 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.942 1.454 5.883 1.00 0.00 H new ATOM 25 N ASP A 2 -16.667 4.663 4.165 1.00 0.00 N ATOM 26 CA ASP A 2 -17.133 5.932 3.623 1.00 0.00 C ATOM 27 C ASP A 2 -16.189 6.422 2.530 1.00 0.00 C ATOM 28 O ASP A 2 -16.432 7.454 1.905 1.00 0.00 O ATOM 29 CB ASP A 2 -17.221 6.977 4.737 1.00 0.00 C ATOM 30 CG ASP A 2 -15.887 7.069 5.472 1.00 0.00 C ATOM 31 OD1 ASP A 2 -15.012 6.274 5.172 1.00 0.00 O ATOM 32 OD2 ASP A 2 -15.764 7.932 6.326 1.00 0.00 O ATOM 0 H ASP A 2 -16.250 4.724 5.094 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.123 5.783 3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.482 7.948 4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -18.013 6.710 5.436 1.00 0.00 H new ATOM 37 N ILE A 3 -15.114 5.670 2.300 1.00 0.00 N ATOM 38 CA ILE A 3 -14.137 6.029 1.271 1.00 0.00 C ATOM 39 C ILE A 3 -14.531 5.439 -0.077 1.00 0.00 C ATOM 40 O ILE A 3 -14.743 4.233 -0.210 1.00 0.00 O ATOM 41 CB ILE A 3 -12.744 5.526 1.668 1.00 0.00 C ATOM 42 CG1 ILE A 3 -12.240 6.306 2.895 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.760 5.700 0.506 1.00 0.00 C ATOM 44 CD1 ILE A 3 -12.091 7.812 2.587 1.00 0.00 C ATOM 0 H ILE A 3 -14.897 4.813 2.809 1.00 0.00 H new ATOM 0 HA ILE A 3 -14.117 7.115 1.184 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.812 4.466 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.935 6.170 3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.279 5.902 3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.776 5.338 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.110 5.131 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.693 6.755 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.733 8.332 3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.377 7.948 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.058 8.221 2.292 1.00 0.00 H new ATOM 56 N ASP A 4 -14.621 6.307 -1.073 1.00 0.00 N ATOM 57 CA ASP A 4 -14.975 5.884 -2.415 1.00 0.00 C ATOM 58 C ASP A 4 -13.886 4.979 -2.978 1.00 0.00 C ATOM 59 O ASP A 4 -14.168 4.039 -3.719 1.00 0.00 O ATOM 60 CB ASP A 4 -15.160 7.112 -3.315 1.00 0.00 C ATOM 61 CG ASP A 4 -16.579 7.666 -3.179 1.00 0.00 C ATOM 62 OD1 ASP A 4 -17.506 6.872 -3.189 1.00 0.00 O ATOM 63 OD2 ASP A 4 -16.718 8.873 -3.065 1.00 0.00 O ATOM 0 H ASP A 4 -14.453 7.308 -0.975 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.911 5.327 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.436 7.881 -3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.966 6.842 -4.353 1.00 0.00 H new ATOM 68 N GLY A 5 -12.638 5.276 -2.628 1.00 0.00 N ATOM 69 CA GLY A 5 -11.515 4.483 -3.107 1.00 0.00 C ATOM 70 C GLY A 5 -11.336 3.231 -2.267 1.00 0.00 C ATOM 71 O GLY A 5 -10.692 3.258 -1.218 1.00 0.00 O ATOM 0 H GLY A 5 -12.382 6.054 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.679 4.206 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.604 5.080 -3.075 1.00 0.00 H new ATOM 75 N ARG A 6 -11.913 2.134 -2.735 1.00 0.00 N ATOM 76 CA ARG A 6 -11.830 0.857 -2.029 1.00 0.00 C ATOM 77 C ARG A 6 -11.450 -0.277 -2.986 1.00 0.00 C ATOM 78 O ARG A 6 -11.996 -1.379 -2.905 1.00 0.00 O ATOM 79 CB ARG A 6 -13.172 0.568 -1.346 1.00 0.00 C ATOM 80 CG ARG A 6 -14.319 1.104 -2.204 1.00 0.00 C ATOM 81 CD ARG A 6 -14.320 0.407 -3.567 1.00 0.00 C ATOM 82 NE ARG A 6 -15.579 0.661 -4.258 1.00 0.00 N ATOM 83 CZ ARG A 6 -15.703 0.438 -5.561 1.00 0.00 C ATOM 84 NH1 ARG A 6 -14.689 -0.015 -6.247 1.00 0.00 N ATOM 85 NH2 ARG A 6 -16.839 0.675 -6.155 1.00 0.00 N ATOM 0 H ARG A 6 -12.446 2.099 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 6 -11.048 0.920 -1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.290 -0.505 -1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.196 1.033 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.271 0.937 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.213 2.181 -2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.486 0.768 -4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.178 -0.666 -3.436 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.377 1.016 -3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.800 -0.198 -5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.786 -0.186 -7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.630 1.031 -5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -16.936 0.504 -7.156 1.00 0.00 H new ATOM 99 N LYS A 7 -10.517 -0.008 -3.899 1.00 0.00 N ATOM 100 CA LYS A 7 -10.080 -1.013 -4.869 1.00 0.00 C ATOM 101 C LYS A 7 -8.581 -1.285 -4.737 1.00 0.00 C ATOM 102 O LYS A 7 -7.769 -0.729 -5.473 1.00 0.00 O ATOM 103 CB LYS A 7 -10.407 -0.528 -6.282 1.00 0.00 C ATOM 104 CG LYS A 7 -9.732 0.831 -6.558 1.00 0.00 C ATOM 105 CD LYS A 7 -10.570 1.631 -7.554 1.00 0.00 C ATOM 106 CE LYS A 7 -10.766 0.802 -8.825 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.492 0.107 -9.170 1.00 0.00 N ATOM 0 H LYS A 7 -10.050 0.895 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.608 -1.946 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.069 -1.263 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.487 -0.435 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.624 1.389 -5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.729 0.675 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.536 1.882 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.074 2.572 -7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.562 0.072 -8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.075 1.447 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.441 -0.033 -10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.686 0.685 -8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.460 -0.817 -8.693 1.00 0.00 H new ATOM 121 N PRO A 8 -8.201 -2.135 -3.821 1.00 0.00 N ATOM 122 CA PRO A 8 -6.772 -2.482 -3.608 1.00 0.00 C ATOM 123 C PRO A 8 -6.161 -3.082 -4.871 1.00 0.00 C ATOM 124 O PRO A 8 -6.848 -3.757 -5.637 1.00 0.00 O ATOM 125 CB PRO A 8 -6.795 -3.502 -2.451 1.00 0.00 C ATOM 126 CG PRO A 8 -8.139 -3.354 -1.807 1.00 0.00 C ATOM 127 CD PRO A 8 -9.084 -2.852 -2.893 1.00 0.00 C ATOM 0 HA PRO A 8 -6.160 -1.611 -3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.648 -4.517 -2.821 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.995 -3.303 -1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.483 -4.306 -1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.096 -2.651 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.599 -3.676 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.852 -2.196 -2.483 1.00 0.00 H new ATOM 135 N LEU A 9 -4.874 -2.828 -5.088 1.00 0.00 N ATOM 136 CA LEU A 9 -4.191 -3.350 -6.270 1.00 0.00 C ATOM 137 C LEU A 9 -3.091 -4.294 -5.842 1.00 0.00 C ATOM 138 O LEU A 9 -2.117 -3.872 -5.225 1.00 0.00 O ATOM 139 CB LEU A 9 -3.577 -2.197 -7.068 1.00 0.00 C ATOM 140 CG LEU A 9 -3.344 -2.637 -8.522 1.00 0.00 C ATOM 141 CD1 LEU A 9 -2.816 -1.451 -9.330 1.00 0.00 C ATOM 142 CD2 LEU A 9 -2.337 -3.797 -8.580 1.00 0.00 C ATOM 0 H LEU A 9 -4.287 -2.270 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.912 -3.880 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.239 -1.331 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.634 -1.891 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.289 -2.979 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.649 -1.759 -10.362 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.545 -0.641 -9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.876 -1.106 -8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.185 -4.095 -9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.387 -3.476 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.724 -4.643 -8.012 1.00 0.00 H new ATOM 154 N LEU A 10 -3.232 -5.565 -6.186 1.00 0.00 N ATOM 155 CA LEU A 10 -2.206 -6.548 -5.827 1.00 0.00 C ATOM 156 C LEU A 10 -1.208 -6.696 -6.969 1.00 0.00 C ATOM 157 O LEU A 10 -1.594 -6.972 -8.106 1.00 0.00 O ATOM 158 CB LEU A 10 -2.862 -7.902 -5.512 1.00 0.00 C ATOM 159 CG LEU A 10 -1.807 -8.986 -5.155 1.00 0.00 C ATOM 160 CD1 LEU A 10 -1.072 -9.510 -6.413 1.00 0.00 C ATOM 161 CD2 LEU A 10 -0.786 -8.426 -4.150 1.00 0.00 C ATOM 0 H LEU A 10 -4.027 -5.941 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.676 -6.203 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.557 -7.784 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.445 -8.232 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.339 -9.824 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.343 -10.266 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.795 -9.950 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.560 -8.684 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.053 -9.196 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.279 -7.566 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.302 -8.118 -3.240 1.00 0.00 H new ATOM 173 N ILE A 11 0.078 -6.495 -6.666 1.00 0.00 N ATOM 174 CA ILE A 11 1.135 -6.593 -7.676 1.00 0.00 C ATOM 175 C ILE A 11 1.895 -7.913 -7.533 1.00 0.00 C ATOM 176 O ILE A 11 2.211 -8.574 -8.522 1.00 0.00 O ATOM 177 CB ILE A 11 2.106 -5.415 -7.531 1.00 0.00 C ATOM 178 CG1 ILE A 11 2.368 -5.147 -6.049 1.00 0.00 C ATOM 179 CG2 ILE A 11 1.515 -4.153 -8.152 1.00 0.00 C ATOM 180 CD1 ILE A 11 3.482 -4.095 -5.888 1.00 0.00 C ATOM 0 H ILE A 11 0.412 -6.264 -5.730 1.00 0.00 H new ATOM 0 HA ILE A 11 0.675 -6.562 -8.664 1.00 0.00 H new ATOM 0 HB ILE A 11 3.034 -5.671 -8.042 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.455 -4.797 -5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.656 -6.072 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.219 -3.328 -8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.323 -4.324 -9.211 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.580 -3.904 -7.650 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.660 -3.912 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.398 -4.461 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.178 -3.166 -6.370 1.00 0.00 H new ATOM 192 N GLY A 12 2.178 -8.292 -6.293 1.00 0.00 N ATOM 193 CA GLY A 12 2.894 -9.530 -6.030 1.00 0.00 C ATOM 194 C GLY A 12 2.981 -9.800 -4.536 1.00 0.00 C ATOM 195 O GLY A 12 2.022 -9.590 -3.796 1.00 0.00 O ATOM 0 H GLY A 12 1.924 -7.762 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.388 -10.359 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.897 -9.471 -6.452 1.00 0.00 H new ATOM 199 N THR A 13 4.143 -10.276 -4.104 1.00 0.00 N ATOM 200 CA THR A 13 4.374 -10.594 -2.694 1.00 0.00 C ATOM 201 C THR A 13 5.712 -10.043 -2.225 1.00 0.00 C ATOM 202 O THR A 13 6.554 -9.653 -3.034 1.00 0.00 O ATOM 203 CB THR A 13 4.353 -12.111 -2.494 1.00 0.00 C ATOM 204 OG1 THR A 13 5.401 -12.697 -3.251 1.00 0.00 O ATOM 205 CG2 THR A 13 3.007 -12.670 -2.955 1.00 0.00 C ATOM 0 H THR A 13 4.944 -10.452 -4.710 1.00 0.00 H new ATOM 0 HA THR A 13 3.580 -10.132 -2.106 1.00 0.00 H new ATOM 0 HB THR A 13 4.493 -12.344 -1.438 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.392 -13.669 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.994 -13.750 -2.812 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.206 -12.217 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.861 -12.442 -4.011 1.00 0.00 H new ATOM 213 N CYS A 14 5.901 -10.015 -0.910 1.00 0.00 N ATOM 214 CA CYS A 14 7.145 -9.510 -0.340 1.00 0.00 C ATOM 215 C CYS A 14 8.333 -10.317 -0.866 1.00 0.00 C ATOM 216 O CYS A 14 9.488 -9.997 -0.585 1.00 0.00 O ATOM 217 CB CYS A 14 7.087 -9.581 1.206 1.00 0.00 C ATOM 218 SG CYS A 14 6.825 -7.923 1.896 1.00 0.00 S ATOM 0 H CYS A 14 5.216 -10.333 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 14 7.274 -8.469 -0.638 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.280 -10.245 1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.014 -10.003 1.594 1.00 0.00 H new ATOM 223 N ILE A 15 8.041 -11.369 -1.623 1.00 0.00 N ATOM 224 CA ILE A 15 9.093 -12.215 -2.163 1.00 0.00 C ATOM 225 C ILE A 15 9.800 -11.518 -3.312 1.00 0.00 C ATOM 226 O ILE A 15 10.953 -11.820 -3.623 1.00 0.00 O ATOM 227 CB ILE A 15 8.503 -13.541 -2.635 1.00 0.00 C ATOM 228 CG1 ILE A 15 7.599 -14.119 -1.535 1.00 0.00 C ATOM 229 CG2 ILE A 15 9.635 -14.525 -2.938 1.00 0.00 C ATOM 230 CD1 ILE A 15 8.351 -14.187 -0.198 1.00 0.00 C ATOM 0 H ILE A 15 7.094 -11.653 -1.873 1.00 0.00 H new ATOM 0 HA ILE A 15 9.823 -12.410 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 15 7.915 -13.377 -3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.708 -13.500 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.262 -15.116 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.213 -15.472 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.275 -14.114 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.224 -14.691 -2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.694 -14.599 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.228 -14.825 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.665 -13.185 0.094 1.00 0.00 H new ATOM 242 N GLU A 16 9.095 -10.586 -3.947 1.00 0.00 N ATOM 243 CA GLU A 16 9.646 -9.844 -5.074 1.00 0.00 C ATOM 244 C GLU A 16 9.487 -8.345 -4.865 1.00 0.00 C ATOM 245 O GLU A 16 10.300 -7.558 -5.349 1.00 0.00 O ATOM 246 CB GLU A 16 8.933 -10.261 -6.355 1.00 0.00 C ATOM 247 CG GLU A 16 7.418 -10.177 -6.157 1.00 0.00 C ATOM 248 CD GLU A 16 6.715 -10.278 -7.506 1.00 0.00 C ATOM 249 OE1 GLU A 16 7.267 -9.789 -8.478 1.00 0.00 O ATOM 250 OE2 GLU A 16 5.634 -10.841 -7.547 1.00 0.00 O ATOM 0 H GLU A 16 8.140 -10.327 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 16 10.709 -10.070 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.238 -9.615 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.218 -11.278 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.083 -10.980 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.157 -9.237 -5.670 1.00 0.00 H new ATOM 257 N PHE A 17 8.435 -7.953 -4.144 1.00 0.00 N ATOM 258 CA PHE A 17 8.180 -6.535 -3.871 1.00 0.00 C ATOM 259 C PHE A 17 8.247 -6.258 -2.362 1.00 0.00 C ATOM 260 O PHE A 17 7.241 -6.388 -1.664 1.00 0.00 O ATOM 261 CB PHE A 17 6.808 -6.133 -4.402 1.00 0.00 C ATOM 262 CG PHE A 17 6.844 -6.160 -5.914 1.00 0.00 C ATOM 263 CD1 PHE A 17 7.689 -5.284 -6.613 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.051 -7.070 -6.618 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.734 -5.318 -8.009 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.097 -7.106 -8.016 1.00 0.00 C ATOM 267 CZ PHE A 17 6.940 -6.231 -8.712 1.00 0.00 C ATOM 0 H PHE A 17 7.749 -8.591 -3.740 1.00 0.00 H new ATOM 0 HA PHE A 17 8.947 -5.947 -4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.044 -6.816 -4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.543 -5.136 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.306 -4.582 -6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.402 -7.747 -6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.381 -4.640 -8.545 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.482 -7.809 -8.558 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.977 -6.261 -9.791 1.00 0.00 H new ATOM 277 N PRO A 18 9.400 -5.886 -1.848 1.00 0.00 N ATOM 278 CA PRO A 18 9.593 -5.604 -0.390 1.00 0.00 C ATOM 279 C PRO A 18 8.914 -4.310 0.031 1.00 0.00 C ATOM 280 O PRO A 18 8.266 -3.659 -0.767 1.00 0.00 O ATOM 281 CB PRO A 18 11.115 -5.511 -0.226 1.00 0.00 C ATOM 282 CG PRO A 18 11.627 -5.115 -1.575 1.00 0.00 C ATOM 283 CD PRO A 18 10.644 -5.682 -2.603 1.00 0.00 C ATOM 0 HA PRO A 18 9.148 -6.375 0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.386 -4.775 0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.537 -6.465 0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.694 -4.030 -1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.630 -5.510 -1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.496 -4.992 -3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.009 -6.617 -3.027 1.00 0.00 H new ATOM 291 N THR A 19 9.071 -3.942 1.290 1.00 0.00 N ATOM 292 CA THR A 19 8.446 -2.727 1.789 1.00 0.00 C ATOM 293 C THR A 19 8.668 -1.553 0.833 1.00 0.00 C ATOM 294 O THR A 19 7.733 -1.092 0.181 1.00 0.00 O ATOM 295 CB THR A 19 9.035 -2.384 3.160 1.00 0.00 C ATOM 296 OG1 THR A 19 8.636 -3.365 4.104 1.00 0.00 O ATOM 297 CG2 THR A 19 8.540 -1.011 3.608 1.00 0.00 C ATOM 0 H THR A 19 9.618 -4.458 1.979 1.00 0.00 H new ATOM 0 HA THR A 19 7.373 -2.901 1.870 1.00 0.00 H new ATOM 0 HB THR A 19 10.123 -2.366 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.014 -3.147 4.982 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.962 -0.773 4.584 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.851 -0.258 2.884 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.452 -1.021 3.676 1.00 0.00 H new ATOM 305 N GLU A 20 9.905 -1.075 0.768 1.00 0.00 N ATOM 306 CA GLU A 20 10.246 0.061 -0.088 1.00 0.00 C ATOM 307 C GLU A 20 9.551 -0.036 -1.447 1.00 0.00 C ATOM 308 O GLU A 20 8.659 0.753 -1.753 1.00 0.00 O ATOM 309 CB GLU A 20 11.779 0.131 -0.295 1.00 0.00 C ATOM 310 CG GLU A 20 12.399 -1.267 -0.119 1.00 0.00 C ATOM 311 CD GLU A 20 12.619 -1.563 1.361 1.00 0.00 C ATOM 312 OE1 GLU A 20 13.074 -0.673 2.060 1.00 0.00 O ATOM 313 OE2 GLU A 20 12.327 -2.673 1.774 1.00 0.00 O ATOM 0 H GLU A 20 10.690 -1.455 1.297 1.00 0.00 H new ATOM 0 HA GLU A 20 9.901 0.967 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.003 0.514 -1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.219 0.826 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.743 -2.021 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.347 -1.322 -0.653 1.00 0.00 H new ATOM 320 N LYS A 21 9.981 -0.986 -2.263 1.00 0.00 N ATOM 321 CA LYS A 21 9.419 -1.138 -3.603 1.00 0.00 C ATOM 322 C LYS A 21 7.905 -1.277 -3.560 1.00 0.00 C ATOM 323 O LYS A 21 7.185 -0.549 -4.232 1.00 0.00 O ATOM 324 CB LYS A 21 10.026 -2.388 -4.273 1.00 0.00 C ATOM 325 CG LYS A 21 10.573 -2.034 -5.661 1.00 0.00 C ATOM 326 CD LYS A 21 11.286 -3.245 -6.274 1.00 0.00 C ATOM 327 CE LYS A 21 12.494 -3.642 -5.421 1.00 0.00 C ATOM 328 NZ LYS A 21 13.450 -4.417 -6.261 1.00 0.00 N ATOM 0 H LYS A 21 10.710 -1.659 -2.027 1.00 0.00 H new ATOM 0 HA LYS A 21 9.663 -0.243 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.826 -2.790 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.268 -3.166 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.758 -1.716 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.265 -1.196 -5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.594 -4.084 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.610 -3.009 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.981 -2.752 -5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.172 -4.240 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.274 -4.690 -5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.981 -5.272 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.764 -3.831 -7.060 1.00 0.00 H new ATOM 342 N CYS A 22 7.433 -2.225 -2.779 1.00 0.00 N ATOM 343 CA CYS A 22 6.006 -2.470 -2.672 1.00 0.00 C ATOM 344 C CYS A 22 5.229 -1.162 -2.612 1.00 0.00 C ATOM 345 O CYS A 22 4.390 -0.890 -3.470 1.00 0.00 O ATOM 346 CB CYS A 22 5.741 -3.303 -1.427 1.00 0.00 C ATOM 347 SG CYS A 22 3.959 -3.555 -1.207 1.00 0.00 S ATOM 0 H CYS A 22 8.014 -2.839 -2.208 1.00 0.00 H new ATOM 0 HA CYS A 22 5.670 -3.012 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.244 -4.266 -1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.155 -2.803 -0.552 1.00 0.00 H new ATOM 352 N ASN A 23 5.524 -0.350 -1.607 1.00 0.00 N ATOM 353 CA ASN A 23 4.849 0.925 -1.461 1.00 0.00 C ATOM 354 C ASN A 23 5.198 1.857 -2.611 1.00 0.00 C ATOM 355 O ASN A 23 4.313 2.405 -3.254 1.00 0.00 O ATOM 356 CB ASN A 23 5.248 1.575 -0.129 1.00 0.00 C ATOM 357 CG ASN A 23 6.744 1.867 -0.107 1.00 0.00 C ATOM 358 OD1 ASN A 23 7.505 1.187 0.579 1.00 0.00 O ATOM 359 ND2 ASN A 23 7.211 2.861 -0.800 1.00 0.00 N ATOM 0 H ASN A 23 6.220 -0.551 -0.889 1.00 0.00 H new ATOM 0 HA ASN A 23 3.774 0.748 -1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.688 2.499 0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.988 0.914 0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.208 3.077 -0.775 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.581 3.426 -1.370 1.00 0.00 H new ATOM 366 N LYS A 24 6.481 2.041 -2.868 1.00 0.00 N ATOM 367 CA LYS A 24 6.908 2.939 -3.928 1.00 0.00 C ATOM 368 C LYS A 24 6.140 2.659 -5.211 1.00 0.00 C ATOM 369 O LYS A 24 5.704 3.579 -5.897 1.00 0.00 O ATOM 370 CB LYS A 24 8.419 2.769 -4.157 1.00 0.00 C ATOM 371 CG LYS A 24 9.215 3.799 -3.342 1.00 0.00 C ATOM 372 CD LYS A 24 10.714 3.529 -3.503 1.00 0.00 C ATOM 373 CE LYS A 24 11.498 4.571 -2.706 1.00 0.00 C ATOM 374 NZ LYS A 24 12.957 4.317 -2.852 1.00 0.00 N ATOM 0 H LYS A 24 7.240 1.585 -2.362 1.00 0.00 H new ATOM 0 HA LYS A 24 6.701 3.967 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.723 1.761 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.646 2.884 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.978 4.808 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.935 3.741 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.955 2.526 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.993 3.573 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.256 5.573 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.215 4.528 -1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.489 5.027 -2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.182 3.367 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.221 4.379 -3.856 1.00 0.00 H new ATOM 388 N THR A 25 5.966 1.393 -5.524 1.00 0.00 N ATOM 389 CA THR A 25 5.246 1.019 -6.720 1.00 0.00 C ATOM 390 C THR A 25 3.801 1.477 -6.621 1.00 0.00 C ATOM 391 O THR A 25 3.216 1.970 -7.590 1.00 0.00 O ATOM 392 CB THR A 25 5.315 -0.499 -6.924 1.00 0.00 C ATOM 393 OG1 THR A 25 6.667 -0.931 -6.812 1.00 0.00 O ATOM 394 CG2 THR A 25 4.769 -0.863 -8.308 1.00 0.00 C ATOM 0 H THR A 25 6.312 0.610 -4.970 1.00 0.00 H new ATOM 0 HA THR A 25 5.708 1.505 -7.579 1.00 0.00 H new ATOM 0 HB THR A 25 4.712 -0.993 -6.163 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.902 -1.028 -5.866 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.821 -1.943 -8.447 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.732 -0.536 -8.388 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.365 -0.369 -9.076 1.00 0.00 H new ATOM 402 N CYS A 26 3.232 1.312 -5.444 1.00 0.00 N ATOM 403 CA CYS A 26 1.859 1.713 -5.227 1.00 0.00 C ATOM 404 C CYS A 26 1.716 3.225 -5.355 1.00 0.00 C ATOM 405 O CYS A 26 0.676 3.730 -5.773 1.00 0.00 O ATOM 406 CB CYS A 26 1.407 1.264 -3.837 1.00 0.00 C ATOM 407 SG CYS A 26 1.113 -0.519 -3.825 1.00 0.00 S ATOM 0 H CYS A 26 3.695 0.907 -4.630 1.00 0.00 H new ATOM 0 HA CYS A 26 1.232 1.241 -5.983 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.167 1.520 -3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.497 1.792 -3.554 1.00 0.00 H new ATOM 412 N ILE A 27 2.768 3.936 -5.000 1.00 0.00 N ATOM 413 CA ILE A 27 2.760 5.388 -5.079 1.00 0.00 C ATOM 414 C ILE A 27 2.653 5.838 -6.520 1.00 0.00 C ATOM 415 O ILE A 27 1.982 6.820 -6.831 1.00 0.00 O ATOM 416 CB ILE A 27 4.033 5.960 -4.440 1.00 0.00 C ATOM 417 CG1 ILE A 27 4.157 5.454 -2.985 1.00 0.00 C ATOM 418 CG2 ILE A 27 3.998 7.496 -4.486 1.00 0.00 C ATOM 419 CD1 ILE A 27 3.450 6.390 -2.007 1.00 0.00 C ATOM 0 H ILE A 27 3.640 3.535 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 27 1.893 5.761 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 27 4.905 5.622 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.729 4.454 -2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.210 5.372 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.905 7.894 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.937 7.828 -5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.128 7.857 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.557 6.005 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.896 7.383 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.392 6.451 -2.262 1.00 0.00 H new ATOM 431 N GLU A 28 3.339 5.122 -7.393 1.00 0.00 N ATOM 432 CA GLU A 28 3.339 5.469 -8.798 1.00 0.00 C ATOM 433 C GLU A 28 1.948 5.288 -9.396 1.00 0.00 C ATOM 434 O GLU A 28 1.545 6.026 -10.297 1.00 0.00 O ATOM 435 CB GLU A 28 4.336 4.582 -9.553 1.00 0.00 C ATOM 436 CG GLU A 28 5.734 4.726 -8.936 1.00 0.00 C ATOM 437 CD GLU A 28 6.410 6.002 -9.431 1.00 0.00 C ATOM 438 OE1 GLU A 28 6.505 6.172 -10.636 1.00 0.00 O ATOM 439 OE2 GLU A 28 6.827 6.788 -8.597 1.00 0.00 O ATOM 0 H GLU A 28 3.898 4.303 -7.154 1.00 0.00 H new ATOM 0 HA GLU A 28 3.631 6.515 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.015 3.541 -9.510 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.363 4.864 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.657 4.747 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.343 3.861 -9.196 1.00 0.00 H new ATOM 446 N SER A 29 1.224 4.302 -8.884 1.00 0.00 N ATOM 447 CA SER A 29 -0.119 4.017 -9.361 1.00 0.00 C ATOM 448 C SER A 29 -1.086 5.078 -8.875 1.00 0.00 C ATOM 449 O SER A 29 -2.268 5.047 -9.212 1.00 0.00 O ATOM 450 CB SER A 29 -0.574 2.644 -8.871 1.00 0.00 C ATOM 451 OG SER A 29 0.155 1.636 -9.555 1.00 0.00 O ATOM 0 H SER A 29 1.546 3.686 -8.137 1.00 0.00 H new ATOM 0 HA SER A 29 -0.106 4.020 -10.451 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.415 2.558 -7.796 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.642 2.518 -9.046 1.00 0.00 H new ATOM 0 HG SER A 29 -0.134 0.754 -9.241 1.00 0.00 H new ATOM 457 N ASN A 30 -0.569 6.012 -8.084 1.00 0.00 N ATOM 458 CA ASN A 30 -1.376 7.100 -7.538 1.00 0.00 C ATOM 459 C ASN A 30 -2.216 6.618 -6.360 1.00 0.00 C ATOM 460 O ASN A 30 -3.341 7.078 -6.155 1.00 0.00 O ATOM 461 CB ASN A 30 -2.298 7.667 -8.623 1.00 0.00 C ATOM 462 CG ASN A 30 -1.580 7.683 -9.966 1.00 0.00 C ATOM 463 OD1 ASN A 30 -2.147 7.274 -10.979 1.00 0.00 O ATOM 464 ND2 ASN A 30 -0.358 8.128 -10.030 1.00 0.00 N ATOM 0 H ASN A 30 0.412 6.038 -7.805 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.699 7.880 -7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.203 7.064 -8.693 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.608 8.677 -8.356 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.135 8.139 -10.923 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.107 8.466 -9.187 1.00 0.00 H new ATOM 471 N PHE A 31 -1.660 5.689 -5.588 1.00 0.00 N ATOM 472 CA PHE A 31 -2.350 5.136 -4.421 1.00 0.00 C ATOM 473 C PHE A 31 -1.671 5.606 -3.142 1.00 0.00 C ATOM 474 O PHE A 31 -0.542 6.100 -3.169 1.00 0.00 O ATOM 475 CB PHE A 31 -2.336 3.599 -4.484 1.00 0.00 C ATOM 476 CG PHE A 31 -3.463 3.105 -5.369 1.00 0.00 C ATOM 477 CD1 PHE A 31 -3.528 3.518 -6.703 1.00 0.00 C ATOM 478 CD2 PHE A 31 -4.441 2.241 -4.857 1.00 0.00 C ATOM 479 CE1 PHE A 31 -4.570 3.072 -7.526 1.00 0.00 C ATOM 480 CE2 PHE A 31 -5.482 1.795 -5.680 1.00 0.00 C ATOM 481 CZ PHE A 31 -5.548 2.212 -7.014 1.00 0.00 C ATOM 0 H PHE A 31 -0.731 5.301 -5.748 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.383 5.485 -4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.379 3.252 -4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.442 3.185 -3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.774 4.182 -7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.391 1.919 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.619 3.392 -8.556 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.235 1.129 -5.285 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.353 1.870 -7.648 1.00 0.00 H new ATOM 491 N ALA A 32 -2.367 5.444 -2.023 1.00 0.00 N ATOM 492 CA ALA A 32 -1.829 5.853 -0.730 1.00 0.00 C ATOM 493 C ALA A 32 -0.666 4.949 -0.322 1.00 0.00 C ATOM 494 O ALA A 32 -0.329 4.855 0.859 1.00 0.00 O ATOM 495 CB ALA A 32 -2.936 5.800 0.341 1.00 0.00 C ATOM 0 H ALA A 32 -3.300 5.035 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.461 6.875 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.526 6.107 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.746 6.473 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.320 4.783 0.418 1.00 0.00 H new ATOM 501 N GLY A 33 -0.059 4.286 -1.303 1.00 0.00 N ATOM 502 CA GLY A 33 1.061 3.390 -1.042 1.00 0.00 C ATOM 503 C GLY A 33 0.559 1.975 -0.783 1.00 0.00 C ATOM 504 O GLY A 33 -0.641 1.715 -0.845 1.00 0.00 O ATOM 0 H GLY A 33 -0.325 4.353 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.742 3.391 -1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.627 3.746 -0.181 1.00 0.00 H new ATOM 508 N GLY A 34 1.488 1.064 -0.504 1.00 0.00 N ATOM 509 CA GLY A 34 1.139 -0.332 -0.250 1.00 0.00 C ATOM 510 C GLY A 34 2.086 -0.954 0.764 1.00 0.00 C ATOM 511 O GLY A 34 3.097 -0.358 1.135 1.00 0.00 O ATOM 0 H GLY A 34 2.486 1.266 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.115 -0.393 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.177 -0.896 -1.182 1.00 0.00 H new ATOM 515 N LYS A 35 1.742 -2.154 1.217 1.00 0.00 N ATOM 516 CA LYS A 35 2.560 -2.854 2.199 1.00 0.00 C ATOM 517 C LYS A 35 2.318 -4.357 2.125 1.00 0.00 C ATOM 518 O LYS A 35 1.555 -4.828 1.283 1.00 0.00 O ATOM 519 CB LYS A 35 2.209 -2.344 3.600 1.00 0.00 C ATOM 520 CG LYS A 35 0.817 -2.876 4.029 1.00 0.00 C ATOM 521 CD LYS A 35 0.082 -1.821 4.854 1.00 0.00 C ATOM 522 CE LYS A 35 0.878 -1.526 6.125 1.00 0.00 C ATOM 523 NZ LYS A 35 0.035 -0.737 7.066 1.00 0.00 N ATOM 0 H LYS A 35 0.907 -2.660 0.922 1.00 0.00 H new ATOM 0 HA LYS A 35 3.612 -2.663 1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.966 -2.668 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.209 -1.254 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.230 -3.133 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.932 -3.789 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.043 -0.909 4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.916 -2.175 5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.192 -2.458 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.784 -0.972 5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.576 -0.536 7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.243 0.158 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.817 -1.282 7.309 1.00 0.00 H new ATOM 537 N CYS A 36 2.966 -5.102 3.020 1.00 0.00 N ATOM 538 CA CYS A 36 2.812 -6.555 3.063 1.00 0.00 C ATOM 539 C CYS A 36 1.916 -6.953 4.229 1.00 0.00 C ATOM 540 O CYS A 36 2.168 -6.583 5.376 1.00 0.00 O ATOM 541 CB CYS A 36 4.194 -7.216 3.202 1.00 0.00 C ATOM 542 SG CYS A 36 4.872 -7.543 1.556 1.00 0.00 S ATOM 0 H CYS A 36 3.601 -4.724 3.723 1.00 0.00 H new ATOM 0 HA CYS A 36 2.347 -6.894 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.866 -6.565 3.762 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.110 -8.146 3.764 1.00 0.00 H new ATOM 547 N VAL A 37 0.867 -7.713 3.924 1.00 0.00 N ATOM 548 CA VAL A 37 -0.075 -8.167 4.948 1.00 0.00 C ATOM 549 C VAL A 37 -0.371 -9.651 4.773 1.00 0.00 C ATOM 550 O VAL A 37 -0.119 -10.225 3.712 1.00 0.00 O ATOM 551 CB VAL A 37 -1.375 -7.373 4.850 1.00 0.00 C ATOM 552 CG1 VAL A 37 -1.084 -5.890 5.080 1.00 0.00 C ATOM 553 CG2 VAL A 37 -1.985 -7.564 3.463 1.00 0.00 C ATOM 0 H VAL A 37 0.647 -8.028 2.979 1.00 0.00 H new ATOM 0 HA VAL A 37 0.374 -8.007 5.928 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.076 -7.727 5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.012 -5.322 5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.649 -5.754 6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.384 -5.535 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.913 -6.997 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.285 -7.210 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.192 -8.621 3.299 1.00 0.00 H new ATOM 563 N HIS A 38 -0.912 -10.267 5.823 1.00 0.00 N ATOM 564 CA HIS A 38 -1.253 -11.689 5.797 1.00 0.00 C ATOM 565 C HIS A 38 -2.767 -11.858 5.771 1.00 0.00 C ATOM 566 O HIS A 38 -3.510 -10.961 6.169 1.00 0.00 O ATOM 567 CB HIS A 38 -0.673 -12.392 7.034 1.00 0.00 C ATOM 568 CG HIS A 38 -0.754 -11.467 8.218 1.00 0.00 C ATOM 569 ND1 HIS A 38 -1.814 -11.499 9.110 1.00 0.00 N ATOM 570 CD2 HIS A 38 0.087 -10.480 8.670 1.00 0.00 C ATOM 571 CE1 HIS A 38 -1.588 -10.557 10.044 1.00 0.00 C ATOM 572 NE2 HIS A 38 -0.441 -9.907 9.823 1.00 0.00 N ATOM 0 H HIS A 38 -1.124 -9.802 6.706 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.827 -12.138 4.900 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.225 -13.310 7.237 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.363 -12.677 6.852 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.017 -10.192 8.202 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.252 -10.351 10.871 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.039 -9.153 10.380 1.00 0.00 H new ATOM 580 N ILE A 39 -3.215 -13.013 5.288 1.00 0.00 N ATOM 581 CA ILE A 39 -4.643 -13.308 5.193 1.00 0.00 C ATOM 582 C ILE A 39 -4.981 -14.586 5.951 1.00 0.00 C ATOM 583 O ILE A 39 -4.318 -15.612 5.789 1.00 0.00 O ATOM 584 CB ILE A 39 -5.031 -13.471 3.727 1.00 0.00 C ATOM 585 CG1 ILE A 39 -4.796 -12.150 2.998 1.00 0.00 C ATOM 586 CG2 ILE A 39 -6.511 -13.853 3.634 1.00 0.00 C ATOM 587 CD1 ILE A 39 -4.866 -12.375 1.486 1.00 0.00 C ATOM 0 H ILE A 39 -2.609 -13.763 4.955 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.200 -12.482 5.636 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.426 -14.254 3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.545 -11.418 3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.823 -11.742 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.791 -13.970 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.678 -14.792 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.118 -13.069 4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.698 -11.430 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.101 -13.092 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.849 -12.763 1.221 1.00 0.00 H new ATOM 599 N GLY A 40 -6.019 -14.520 6.777 1.00 0.00 N ATOM 600 CA GLY A 40 -6.439 -15.678 7.555 1.00 0.00 C ATOM 601 C GLY A 40 -5.256 -16.303 8.274 1.00 0.00 C ATOM 602 O GLY A 40 -4.786 -15.781 9.283 1.00 0.00 O ATOM 0 H GLY A 40 -6.582 -13.682 6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.195 -15.379 8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.902 -16.415 6.898 1.00 0.00 H new ATOM 606 N GLN A 41 -4.779 -17.429 7.751 1.00 0.00 N ATOM 607 CA GLN A 41 -3.647 -18.122 8.360 1.00 0.00 C ATOM 608 C GLN A 41 -2.727 -18.687 7.282 1.00 0.00 C ATOM 609 O GLN A 41 -2.087 -19.718 7.476 1.00 0.00 O ATOM 610 CB GLN A 41 -4.161 -19.258 9.258 1.00 0.00 C ATOM 611 CG GLN A 41 -3.103 -19.610 10.304 1.00 0.00 C ATOM 612 CD GLN A 41 -3.010 -18.495 11.340 1.00 0.00 C ATOM 613 OE1 GLN A 41 -4.008 -18.151 11.972 1.00 0.00 O ATOM 614 NE2 GLN A 41 -1.867 -17.905 11.550 1.00 0.00 N ATOM 0 H GLN A 41 -5.154 -17.878 6.915 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.081 -17.412 8.963 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.085 -18.955 9.750 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.394 -20.135 8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.359 -20.551 10.791 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.136 -19.753 9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.041 -18.192 11.025 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.799 -17.156 12.239 1.00 0.00 H new ATOM 623 N SER A 42 -2.667 -18.005 6.141 1.00 0.00 N ATOM 624 CA SER A 42 -1.820 -18.455 5.040 1.00 0.00 C ATOM 625 C SER A 42 -0.402 -17.936 5.200 1.00 0.00 C ATOM 626 O SER A 42 0.489 -18.279 4.424 1.00 0.00 O ATOM 627 CB SER A 42 -2.379 -17.953 3.721 1.00 0.00 C ATOM 628 OG SER A 42 -3.611 -18.614 3.446 1.00 0.00 O ATOM 0 H SER A 42 -3.188 -17.148 5.956 1.00 0.00 H new ATOM 0 HA SER A 42 -1.804 -19.545 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.534 -16.875 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.667 -18.139 2.917 1.00 0.00 H new ATOM 0 HG SER A 42 -3.974 -18.289 2.595 1.00 0.00 H new ATOM 634 N LEU A 43 -0.206 -17.097 6.203 1.00 0.00 N ATOM 635 CA LEU A 43 1.104 -16.518 6.460 1.00 0.00 C ATOM 636 C LEU A 43 1.746 -16.046 5.150 1.00 0.00 C ATOM 637 O LEU A 43 2.966 -16.046 5.003 1.00 0.00 O ATOM 638 CB LEU A 43 2.006 -17.559 7.157 1.00 0.00 C ATOM 639 CG LEU A 43 2.875 -16.883 8.223 1.00 0.00 C ATOM 640 CD1 LEU A 43 3.721 -17.940 8.939 1.00 0.00 C ATOM 641 CD2 LEU A 43 3.791 -15.862 7.555 1.00 0.00 C ATOM 0 H LEU A 43 -0.935 -16.801 6.852 1.00 0.00 H new ATOM 0 HA LEU A 43 0.988 -15.654 7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.391 -18.333 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.640 -18.052 6.420 1.00 0.00 H new ATOM 0 HG LEU A 43 2.237 -16.379 8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.339 -17.459 9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.066 -18.670 9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.361 -18.445 8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.410 -15.379 8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.430 -16.366 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.188 -15.110 7.046 1.00 0.00 H new ATOM 653 N ASP A 44 0.915 -15.650 4.195 1.00 0.00 N ATOM 654 CA ASP A 44 1.413 -15.179 2.907 1.00 0.00 C ATOM 655 C ASP A 44 1.414 -13.655 2.872 1.00 0.00 C ATOM 656 O ASP A 44 0.386 -13.022 3.107 1.00 0.00 O ATOM 657 CB ASP A 44 0.539 -15.726 1.784 1.00 0.00 C ATOM 658 CG ASP A 44 1.212 -15.470 0.442 1.00 0.00 C ATOM 659 OD1 ASP A 44 2.212 -14.774 0.428 1.00 0.00 O ATOM 660 OD2 ASP A 44 0.719 -15.977 -0.551 1.00 0.00 O ATOM 0 H ASP A 44 -0.101 -15.645 4.285 1.00 0.00 H new ATOM 0 HA ASP A 44 2.434 -15.534 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.377 -16.795 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.441 -15.250 1.807 1.00 0.00 H new ATOM 665 N PHE A 45 2.571 -13.068 2.579 1.00 0.00 N ATOM 666 CA PHE A 45 2.689 -11.617 2.517 1.00 0.00 C ATOM 667 C PHE A 45 2.387 -11.138 1.105 1.00 0.00 C ATOM 668 O PHE A 45 3.088 -11.490 0.159 1.00 0.00 O ATOM 669 CB PHE A 45 4.107 -11.197 2.905 1.00 0.00 C ATOM 670 CG PHE A 45 4.303 -11.366 4.394 1.00 0.00 C ATOM 671 CD1 PHE A 45 3.596 -10.551 5.287 1.00 0.00 C ATOM 672 CD2 PHE A 45 5.186 -12.338 4.884 1.00 0.00 C ATOM 673 CE1 PHE A 45 3.773 -10.705 6.668 1.00 0.00 C ATOM 674 CE2 PHE A 45 5.362 -12.491 6.265 1.00 0.00 C ATOM 675 CZ PHE A 45 4.656 -11.676 7.156 1.00 0.00 C ATOM 0 H PHE A 45 3.435 -13.573 2.382 1.00 0.00 H new ATOM 0 HA PHE A 45 1.977 -11.171 3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.836 -11.800 2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.278 -10.158 2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.914 -9.803 4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.730 -12.969 4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.229 -10.075 7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.044 -13.239 6.642 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.792 -11.796 8.221 1.00 0.00 H new ATOM 685 N VAL A 46 1.339 -10.331 0.977 1.00 0.00 N ATOM 686 CA VAL A 46 0.922 -9.800 -0.318 1.00 0.00 C ATOM 687 C VAL A 46 1.138 -8.296 -0.360 1.00 0.00 C ATOM 688 O VAL A 46 0.815 -7.589 0.596 1.00 0.00 O ATOM 689 CB VAL A 46 -0.559 -10.111 -0.552 1.00 0.00 C ATOM 690 CG1 VAL A 46 -0.756 -11.626 -0.612 1.00 0.00 C ATOM 691 CG2 VAL A 46 -1.394 -9.531 0.591 1.00 0.00 C ATOM 0 H VAL A 46 0.759 -10.028 1.759 1.00 0.00 H new ATOM 0 HA VAL A 46 1.520 -10.268 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.879 -9.664 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.810 -11.850 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.164 -12.038 -1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.435 -12.072 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.447 -9.754 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.077 -9.974 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.254 -8.451 0.632 1.00 0.00 H new ATOM 701 N CYS A 47 1.678 -7.814 -1.477 1.00 0.00 N ATOM 702 CA CYS A 47 1.935 -6.389 -1.645 1.00 0.00 C ATOM 703 C CYS A 47 0.749 -5.742 -2.326 1.00 0.00 C ATOM 704 O CYS A 47 0.542 -5.924 -3.523 1.00 0.00 O ATOM 705 CB CYS A 47 3.174 -6.181 -2.517 1.00 0.00 C ATOM 706 SG CYS A 47 3.339 -4.425 -2.918 1.00 0.00 S ATOM 0 H CYS A 47 1.945 -8.389 -2.276 1.00 0.00 H new ATOM 0 HA CYS A 47 2.097 -5.941 -0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.064 -6.531 -1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.091 -6.768 -3.432 1.00 0.00 H new ATOM 711 N VAL A 48 -0.038 -4.992 -1.558 1.00 0.00 N ATOM 712 CA VAL A 48 -1.224 -4.342 -2.106 1.00 0.00 C ATOM 713 C VAL A 48 -1.192 -2.853 -1.827 1.00 0.00 C ATOM 714 O VAL A 48 -0.555 -2.401 -0.876 1.00 0.00 O ATOM 715 CB VAL A 48 -2.485 -4.964 -1.493 1.00 0.00 C ATOM 716 CG1 VAL A 48 -2.697 -4.440 -0.065 1.00 0.00 C ATOM 717 CG2 VAL A 48 -3.695 -4.610 -2.358 1.00 0.00 C ATOM 0 H VAL A 48 0.122 -4.821 -0.565 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.237 -4.490 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.366 -6.047 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.595 -4.890 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.836 -4.702 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.810 -3.356 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.593 -5.051 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.807 -3.527 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.549 -5.000 -3.365 1.00 0.00 H new ATOM 727 N CYS A 49 -1.883 -2.088 -2.663 1.00 0.00 N ATOM 728 CA CYS A 49 -1.923 -0.644 -2.500 1.00 0.00 C ATOM 729 C CYS A 49 -3.208 -0.231 -1.803 1.00 0.00 C ATOM 730 O CYS A 49 -4.092 -1.056 -1.577 1.00 0.00 O ATOM 731 CB CYS A 49 -1.848 0.040 -3.864 1.00 0.00 C ATOM 732 SG CYS A 49 -0.582 -0.756 -4.881 1.00 0.00 S ATOM 0 H CYS A 49 -2.419 -2.442 -3.455 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.069 -0.340 -1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.816 -0.016 -4.362 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.615 1.097 -3.738 1.00 0.00 H new ATOM 737 N PHE A 50 -3.310 1.051 -1.469 1.00 0.00 N ATOM 738 CA PHE A 50 -4.504 1.571 -0.810 1.00 0.00 C ATOM 739 C PHE A 50 -4.951 2.876 -1.486 1.00 0.00 C ATOM 740 O PHE A 50 -4.211 3.855 -1.479 1.00 0.00 O ATOM 741 CB PHE A 50 -4.212 1.832 0.669 1.00 0.00 C ATOM 742 CG PHE A 50 -4.111 0.499 1.375 1.00 0.00 C ATOM 743 CD1 PHE A 50 -5.273 -0.239 1.653 1.00 0.00 C ATOM 744 CD2 PHE A 50 -2.861 -0.008 1.733 1.00 0.00 C ATOM 745 CE1 PHE A 50 -5.178 -1.480 2.292 1.00 0.00 C ATOM 746 CE2 PHE A 50 -2.764 -1.249 2.371 1.00 0.00 C ATOM 747 CZ PHE A 50 -3.922 -1.985 2.653 1.00 0.00 C ATOM 0 H PHE A 50 -2.585 1.747 -1.642 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.302 0.833 -0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.283 2.392 0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.003 2.437 1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.240 0.152 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.967 0.559 1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.071 -2.048 2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.796 -1.640 2.646 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.847 -2.942 3.149 1.00 0.00 H new ATOM 757 N PRO A 51 -6.138 2.919 -2.061 1.00 0.00 N ATOM 758 CA PRO A 51 -6.654 4.154 -2.736 1.00 0.00 C ATOM 759 C PRO A 51 -6.515 5.399 -1.856 1.00 0.00 C ATOM 760 O PRO A 51 -6.968 5.415 -0.711 1.00 0.00 O ATOM 761 CB PRO A 51 -8.141 3.830 -2.950 1.00 0.00 C ATOM 762 CG PRO A 51 -8.206 2.345 -3.058 1.00 0.00 C ATOM 763 CD PRO A 51 -7.101 1.805 -2.163 1.00 0.00 C ATOM 0 HA PRO A 51 -6.105 4.382 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.746 4.191 -2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.522 4.307 -3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.180 1.974 -2.740 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.063 2.023 -4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.486 1.521 -1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.638 0.917 -2.594 1.00 0.00 H new ATOM 771 N LYS A 52 -5.902 6.447 -2.409 1.00 0.00 N ATOM 772 CA LYS A 52 -5.723 7.694 -1.690 1.00 0.00 C ATOM 773 C LYS A 52 -6.838 8.671 -2.059 1.00 0.00 C ATOM 774 O LYS A 52 -7.597 9.115 -1.200 1.00 0.00 O ATOM 775 CB LYS A 52 -4.357 8.294 -2.047 1.00 0.00 C ATOM 776 CG LYS A 52 -4.200 9.655 -1.375 1.00 0.00 C ATOM 777 CD LYS A 52 -2.802 10.210 -1.650 1.00 0.00 C ATOM 778 CE LYS A 52 -2.727 11.650 -1.148 1.00 0.00 C ATOM 779 NZ LYS A 52 -2.628 11.666 0.340 1.00 0.00 N ATOM 0 H LYS A 52 -5.523 6.449 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.764 7.505 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.560 7.624 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.267 8.399 -3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.956 10.345 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.359 9.561 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.050 9.599 -1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.586 10.173 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.863 12.151 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.611 12.202 -1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.526 12.647 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.489 11.250 0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.800 11.112 0.639 1.00 0.00 H new ATOM 793 N TYR A 53 -6.920 9.001 -3.349 1.00 0.00 N ATOM 794 CA TYR A 53 -7.941 9.934 -3.846 1.00 0.00 C ATOM 795 C TYR A 53 -8.615 9.378 -5.102 1.00 0.00 C ATOM 796 O TYR A 53 -9.028 10.132 -5.982 1.00 0.00 O ATOM 797 CB TYR A 53 -7.292 11.292 -4.162 1.00 0.00 C ATOM 798 CG TYR A 53 -6.398 11.167 -5.376 1.00 0.00 C ATOM 799 CD1 TYR A 53 -5.114 10.633 -5.248 1.00 0.00 C ATOM 800 CD2 TYR A 53 -6.865 11.571 -6.633 1.00 0.00 C ATOM 801 CE1 TYR A 53 -4.292 10.504 -6.372 1.00 0.00 C ATOM 802 CE2 TYR A 53 -6.046 11.439 -7.758 1.00 0.00 C ATOM 803 CZ TYR A 53 -4.759 10.905 -7.629 1.00 0.00 C ATOM 804 OH TYR A 53 -3.952 10.772 -8.740 1.00 0.00 O ATOM 0 H TYR A 53 -6.295 8.639 -4.069 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.700 10.063 -3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.064 12.040 -4.344 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.711 11.635 -3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.755 10.319 -4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.858 11.984 -6.733 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.298 10.095 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.407 11.749 -8.727 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.429 11.097 -9.532 1.00 0.00 H new ATOM 814 N TYR A 54 -8.712 8.058 -5.181 1.00 0.00 N ATOM 815 CA TYR A 54 -9.313 7.421 -6.335 1.00 0.00 C ATOM 816 C TYR A 54 -10.750 7.877 -6.495 1.00 0.00 C ATOM 817 O TYR A 54 -11.659 7.328 -5.878 1.00 0.00 O ATOM 818 CB TYR A 54 -9.268 5.899 -6.169 1.00 0.00 C ATOM 819 CG TYR A 54 -9.959 5.248 -7.340 1.00 0.00 C ATOM 820 CD1 TYR A 54 -9.256 5.031 -8.528 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.301 4.867 -7.239 1.00 0.00 C ATOM 822 CE1 TYR A 54 -9.895 4.434 -9.618 1.00 0.00 C ATOM 823 CE2 TYR A 54 -11.941 4.269 -8.328 1.00 0.00 C ATOM 824 CZ TYR A 54 -11.240 4.053 -9.521 1.00 0.00 C ATOM 825 OH TYR A 54 -11.870 3.459 -10.595 1.00 0.00 O ATOM 0 H TYR A 54 -8.383 7.414 -4.462 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.752 7.703 -7.226 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.234 5.559 -6.108 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.755 5.609 -5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.219 5.325 -8.604 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.842 5.035 -6.320 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -9.352 4.266 -10.536 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.977 3.973 -8.250 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.799 3.257 -10.358 1.00 0.00 H new ATOM 835 N ILE A 55 -10.943 8.888 -7.336 1.00 0.00 N ATOM 836 CA ILE A 55 -12.277 9.432 -7.590 1.00 0.00 C ATOM 837 C ILE A 55 -12.396 9.858 -9.060 1.00 0.00 C ATOM 838 O ILE A 55 -13.412 9.554 -9.662 1.00 0.00 O ATOM 839 CB ILE A 55 -12.534 10.630 -6.636 1.00 0.00 C ATOM 840 CG1 ILE A 55 -13.174 10.141 -5.312 1.00 0.00 C ATOM 841 CG2 ILE A 55 -13.451 11.671 -7.288 1.00 0.00 C ATOM 842 CD1 ILE A 55 -14.696 9.976 -5.474 1.00 0.00 C ATOM 843 OXT ILE A 55 -11.471 10.484 -9.556 1.00 0.00 O ATOM 0 H ILE A 55 -10.195 9.348 -7.854 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.031 8.669 -7.399 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.571 11.095 -6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.729 9.191 -5.016 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.963 10.854 -4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -13.613 12.498 -6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.985 12.046 -8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.408 11.210 -7.533 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -15.127 9.632 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -15.139 10.934 -5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -14.902 9.245 -6.256 1.00 0.00 H new TER 855 ILE A 55