USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 562 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 5 LYS NZ :NH3+ -115:sc= 0.533 (180deg=0) USER MOD Set 1.2: A 21 ASN : amide:sc= 0.485 K(o=1,f=-2.7) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.0242 (180deg=-0.509) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.4!) USER MOD Single : A 24 GLN : amide:sc= -0.084 K(o=-0.084,f=-1.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -92:sc= 0.198 USER MOD Single : A 31 ASN : amide:sc= -9.23! C(o=-9.2!,f=-16!) USER MOD Single : A 35 SER OG : rot -96:sc= 0.115 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -87:sc= -1.07 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 108:sc= -3.73! USER MOD Single : A 55 GLN : amide:sc= -0.0975 K(o=-0.097,f=-2.1!) USER MOD Single : A 59 GLN : amide:sc= -0.263 K(o=-0.26,f=-2!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -50:sc= 0.0378 USER MOD Single : A 66 ASN : amide:sc= -0.661 X(o=-0.66,f=-0.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.128 -12.614 -16.193 1.00 0.00 N ATOM 2 CA MET A 1 15.013 -11.547 -15.157 1.00 0.00 C ATOM 3 C MET A 1 15.013 -12.165 -13.756 1.00 0.00 C ATOM 4 O MET A 1 14.195 -13.005 -13.437 1.00 0.00 O ATOM 5 CB MET A 1 13.674 -10.865 -15.442 1.00 0.00 C ATOM 6 CG MET A 1 13.841 -9.347 -15.327 1.00 0.00 C ATOM 7 SD MET A 1 12.661 -8.701 -14.117 1.00 0.00 S ATOM 8 CE MET A 1 11.153 -9.094 -15.035 1.00 0.00 C ATOM 0 H1 MET A 1 15.127 -12.181 -17.139 1.00 0.00 H new ATOM 0 H2 MET A 1 16.015 -13.139 -16.054 1.00 0.00 H new ATOM 0 H3 MET A 1 14.323 -13.267 -16.110 1.00 0.00 H new ATOM 0 HA MET A 1 15.846 -10.845 -15.193 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.324 -11.129 -16.440 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.919 -11.213 -14.737 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.859 -9.104 -15.023 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.677 -8.878 -16.297 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.357 -8.411 -14.737 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.340 -8.989 -16.104 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.852 -10.119 -14.819 1.00 0.00 H new ATOM 20 N VAL A 2 15.925 -11.755 -12.916 1.00 0.00 N ATOM 21 CA VAL A 2 15.978 -12.320 -11.537 1.00 0.00 C ATOM 22 C VAL A 2 14.666 -12.039 -10.797 1.00 0.00 C ATOM 23 O VAL A 2 14.296 -10.902 -10.581 1.00 0.00 O ATOM 24 CB VAL A 2 17.140 -11.594 -10.858 1.00 0.00 C ATOM 25 CG1 VAL A 2 18.442 -11.915 -11.594 1.00 0.00 C ATOM 26 CG2 VAL A 2 16.891 -10.084 -10.897 1.00 0.00 C ATOM 0 H VAL A 2 16.635 -11.053 -13.125 1.00 0.00 H new ATOM 0 HA VAL A 2 16.116 -13.401 -11.539 1.00 0.00 H new ATOM 0 HB VAL A 2 17.218 -11.923 -9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 2 19.270 -11.398 -11.110 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.620 -12.990 -11.567 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.365 -11.586 -12.630 1.00 0.00 H new ATOM 0 HG21 VAL A 2 17.719 -9.566 -10.413 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.813 -9.755 -11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.963 -9.855 -10.373 1.00 0.00 H new ATOM 36 N ASP A 3 13.963 -13.067 -10.406 1.00 0.00 N ATOM 37 CA ASP A 3 12.677 -12.857 -9.679 1.00 0.00 C ATOM 38 C ASP A 3 12.949 -12.528 -8.208 1.00 0.00 C ATOM 39 O ASP A 3 13.622 -13.263 -7.512 1.00 0.00 O ATOM 40 CB ASP A 3 11.934 -14.189 -9.801 1.00 0.00 C ATOM 41 CG ASP A 3 10.494 -14.015 -9.314 1.00 0.00 C ATOM 42 OD1 ASP A 3 10.279 -13.191 -8.440 1.00 0.00 O ATOM 43 OD2 ASP A 3 9.629 -14.710 -9.824 1.00 0.00 O ATOM 0 H ASP A 3 14.222 -14.042 -10.558 1.00 0.00 H new ATOM 0 HA ASP A 3 12.100 -12.028 -10.089 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.941 -14.528 -10.837 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.439 -14.955 -9.212 1.00 0.00 H new ATOM 48 N SER A 4 12.433 -11.429 -7.730 1.00 0.00 N ATOM 49 CA SER A 4 12.666 -11.055 -6.304 1.00 0.00 C ATOM 50 C SER A 4 11.415 -10.398 -5.713 1.00 0.00 C ATOM 51 O SER A 4 10.538 -9.953 -6.427 1.00 0.00 O ATOM 52 CB SER A 4 13.825 -10.061 -6.343 1.00 0.00 C ATOM 53 OG SER A 4 14.566 -10.151 -5.133 1.00 0.00 O ATOM 0 H SER A 4 11.861 -10.774 -8.263 1.00 0.00 H new ATOM 0 HA SER A 4 12.890 -11.922 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 4 14.471 -10.273 -7.195 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.445 -9.048 -6.475 1.00 0.00 H new ATOM 0 HG SER A 4 15.311 -9.515 -5.158 1.00 0.00 H new ATOM 59 N LYS A 5 11.329 -10.331 -4.410 1.00 0.00 N ATOM 60 CA LYS A 5 10.137 -9.701 -3.767 1.00 0.00 C ATOM 61 C LYS A 5 8.895 -10.573 -3.977 1.00 0.00 C ATOM 62 O LYS A 5 8.270 -11.013 -3.033 1.00 0.00 O ATOM 63 CB LYS A 5 9.973 -8.352 -4.470 1.00 0.00 C ATOM 64 CG LYS A 5 10.030 -7.227 -3.434 1.00 0.00 C ATOM 65 CD LYS A 5 11.165 -6.263 -3.786 1.00 0.00 C ATOM 66 CE LYS A 5 10.900 -5.641 -5.159 1.00 0.00 C ATOM 67 NZ LYS A 5 12.199 -5.038 -5.563 1.00 0.00 N ATOM 0 H LYS A 5 12.033 -10.685 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 5 10.263 -9.586 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.760 -8.218 -5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.023 -8.321 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.080 -6.693 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.188 -7.643 -2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.240 -5.482 -3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.117 -6.793 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.573 -6.393 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.114 -4.888 -5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.099 -4.004 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.926 -5.276 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.481 -5.411 -6.492 1.00 0.00 H new ATOM 81 N LYS A 6 8.534 -10.831 -5.206 1.00 0.00 N ATOM 82 CA LYS A 6 7.333 -11.679 -5.475 1.00 0.00 C ATOM 83 C LYS A 6 6.070 -10.997 -4.960 1.00 0.00 C ATOM 84 O LYS A 6 5.202 -10.618 -5.722 1.00 0.00 O ATOM 85 CB LYS A 6 7.587 -12.983 -4.713 1.00 0.00 C ATOM 86 CG LYS A 6 9.002 -13.485 -5.013 1.00 0.00 C ATOM 87 CD LYS A 6 9.396 -14.546 -3.984 1.00 0.00 C ATOM 88 CE LYS A 6 8.488 -15.769 -4.138 1.00 0.00 C ATOM 89 NZ LYS A 6 9.395 -16.941 -3.983 1.00 0.00 N ATOM 0 H LYS A 6 9.019 -10.491 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 6 7.185 -11.850 -6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.468 -12.819 -3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.854 -13.735 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.045 -13.904 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.708 -12.655 -4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.438 -14.834 -4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.309 -14.140 -2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.702 -15.775 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.996 -15.776 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.846 -17.819 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.129 -16.912 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.844 -16.911 -3.045 1.00 0.00 H new ATOM 103 N ARG A 7 5.953 -10.839 -3.676 1.00 0.00 N ATOM 104 CA ARG A 7 4.734 -10.182 -3.118 1.00 0.00 C ATOM 105 C ARG A 7 3.490 -10.772 -3.798 1.00 0.00 C ATOM 106 O ARG A 7 3.582 -11.779 -4.471 1.00 0.00 O ATOM 107 CB ARG A 7 4.892 -8.692 -3.461 1.00 0.00 C ATOM 108 CG ARG A 7 6.375 -8.351 -3.648 1.00 0.00 C ATOM 109 CD ARG A 7 6.529 -6.842 -3.843 1.00 0.00 C ATOM 110 NE ARG A 7 6.985 -6.682 -5.251 1.00 0.00 N ATOM 111 CZ ARG A 7 6.141 -6.847 -6.234 1.00 0.00 C ATOM 112 NH1 ARG A 7 5.325 -5.883 -6.562 1.00 0.00 N ATOM 113 NH2 ARG A 7 6.115 -7.976 -6.887 1.00 0.00 N ATOM 0 H ARG A 7 6.644 -11.134 -2.986 1.00 0.00 H new ATOM 0 HA ARG A 7 4.621 -10.332 -2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.339 -8.459 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.467 -8.080 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.947 -8.677 -2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.776 -8.883 -4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.586 -6.323 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.253 -6.425 -3.143 1.00 0.00 H new ATOM 0 HE ARG A 7 7.957 -6.443 -5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.346 -5.001 -6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.666 -6.012 -7.330 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.753 -8.729 -6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.456 -8.106 -7.655 1.00 0.00 H new ATOM 127 N PRO A 8 2.362 -10.127 -3.615 1.00 0.00 N ATOM 128 CA PRO A 8 1.124 -10.621 -4.243 1.00 0.00 C ATOM 129 C PRO A 8 1.165 -10.352 -5.749 1.00 0.00 C ATOM 130 O PRO A 8 0.321 -9.669 -6.294 1.00 0.00 O ATOM 131 CB PRO A 8 0.020 -9.817 -3.566 1.00 0.00 C ATOM 132 CG PRO A 8 0.687 -8.567 -3.078 1.00 0.00 C ATOM 133 CD PRO A 8 2.141 -8.905 -2.831 1.00 0.00 C ATOM 0 HA PRO A 8 0.976 -11.695 -4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.785 -9.587 -4.265 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.424 -10.374 -2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.597 -7.769 -3.816 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.214 -8.210 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.799 -8.099 -3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.338 -9.070 -1.772 1.00 0.00 H new ATOM 141 N GLY A 9 2.156 -10.881 -6.419 1.00 0.00 N ATOM 142 CA GLY A 9 2.277 -10.657 -7.887 1.00 0.00 C ATOM 143 C GLY A 9 0.894 -10.734 -8.537 1.00 0.00 C ATOM 144 O GLY A 9 0.513 -9.877 -9.308 1.00 0.00 O ATOM 0 H GLY A 9 2.889 -11.460 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.726 -9.683 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.938 -11.405 -8.325 1.00 0.00 H new ATOM 148 N LYS A 10 0.138 -11.752 -8.230 1.00 0.00 N ATOM 149 CA LYS A 10 -1.222 -11.879 -8.831 1.00 0.00 C ATOM 150 C LYS A 10 -2.157 -10.812 -8.253 1.00 0.00 C ATOM 151 O LYS A 10 -2.323 -10.701 -7.054 1.00 0.00 O ATOM 152 CB LYS A 10 -1.698 -13.279 -8.437 1.00 0.00 C ATOM 153 CG LYS A 10 -3.101 -13.521 -9.002 1.00 0.00 C ATOM 154 CD LYS A 10 -3.037 -14.604 -10.083 1.00 0.00 C ATOM 155 CE LYS A 10 -4.455 -14.940 -10.552 1.00 0.00 C ATOM 156 NZ LYS A 10 -4.681 -16.346 -10.115 1.00 0.00 N ATOM 0 H LYS A 10 0.402 -12.501 -7.590 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.212 -11.740 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.006 -14.030 -8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.710 -13.378 -7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.778 -13.828 -8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.500 -12.597 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.436 -14.258 -10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.551 -15.497 -9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.188 -14.266 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.547 -14.843 -11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.634 -16.649 -10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.973 -16.965 -10.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.594 -16.406 -9.080 1.00 0.00 H new ATOM 170 N ASP A 11 -2.766 -10.023 -9.096 1.00 0.00 N ATOM 171 CA ASP A 11 -3.686 -8.961 -8.592 1.00 0.00 C ATOM 172 C ASP A 11 -2.982 -8.112 -7.529 1.00 0.00 C ATOM 173 O ASP A 11 -2.960 -8.453 -6.364 1.00 0.00 O ATOM 174 CB ASP A 11 -4.864 -9.719 -7.979 1.00 0.00 C ATOM 175 CG ASP A 11 -6.080 -9.606 -8.901 1.00 0.00 C ATOM 176 OD1 ASP A 11 -5.997 -8.875 -9.873 1.00 0.00 O ATOM 177 OD2 ASP A 11 -7.075 -10.254 -8.618 1.00 0.00 O ATOM 0 H ASP A 11 -2.667 -10.067 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.005 -8.280 -9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.600 -10.767 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.101 -9.311 -6.996 1.00 0.00 H new ATOM 182 N LEU A 12 -2.402 -7.010 -7.924 1.00 0.00 N ATOM 183 CA LEU A 12 -1.696 -6.145 -6.936 1.00 0.00 C ATOM 184 C LEU A 12 -2.082 -4.679 -7.137 1.00 0.00 C ATOM 185 O LEU A 12 -2.305 -4.232 -8.246 1.00 0.00 O ATOM 186 CB LEU A 12 -0.210 -6.348 -7.231 1.00 0.00 C ATOM 187 CG LEU A 12 0.496 -6.857 -5.976 1.00 0.00 C ATOM 188 CD1 LEU A 12 1.893 -7.359 -6.346 1.00 0.00 C ATOM 189 CD2 LEU A 12 0.615 -5.718 -4.961 1.00 0.00 C ATOM 0 H LEU A 12 -2.387 -6.672 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.952 -6.401 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.085 -7.061 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.238 -5.409 -7.557 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.080 -7.673 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.398 -7.723 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.808 -8.170 -7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.469 -6.543 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.119 -6.080 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.191 -4.902 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.380 -5.360 -4.698 1.00 0.00 H new ATOM 201 N ASP A 13 -2.151 -3.922 -6.075 1.00 0.00 N ATOM 202 CA ASP A 13 -2.510 -2.481 -6.209 1.00 0.00 C ATOM 203 C ASP A 13 -1.248 -1.637 -6.354 1.00 0.00 C ATOM 204 O ASP A 13 -0.286 -1.808 -5.633 1.00 0.00 O ATOM 205 CB ASP A 13 -3.245 -2.132 -4.914 1.00 0.00 C ATOM 206 CG ASP A 13 -4.735 -2.440 -5.072 1.00 0.00 C ATOM 207 OD1 ASP A 13 -5.099 -3.594 -4.924 1.00 0.00 O ATOM 208 OD2 ASP A 13 -5.486 -1.516 -5.338 1.00 0.00 O ATOM 0 H ASP A 13 -1.974 -4.239 -5.122 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.124 -2.288 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.831 -2.704 -4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.104 -1.078 -4.677 1.00 0.00 H new ATOM 213 N ARG A 14 -1.241 -0.732 -7.289 1.00 0.00 N ATOM 214 CA ARG A 14 -0.038 0.118 -7.491 1.00 0.00 C ATOM 215 C ARG A 14 0.517 0.587 -6.142 1.00 0.00 C ATOM 216 O ARG A 14 1.712 0.730 -5.967 1.00 0.00 O ATOM 217 CB ARG A 14 -0.534 1.310 -8.311 1.00 0.00 C ATOM 218 CG ARG A 14 0.592 1.814 -9.215 1.00 0.00 C ATOM 219 CD ARG A 14 0.960 0.726 -10.227 1.00 0.00 C ATOM 220 NE ARG A 14 1.344 1.467 -11.462 1.00 0.00 N ATOM 221 CZ ARG A 14 0.511 1.542 -12.463 1.00 0.00 C ATOM 222 NH1 ARG A 14 -0.776 1.526 -12.246 1.00 0.00 N ATOM 223 NH2 ARG A 14 0.965 1.634 -13.683 1.00 0.00 N ATOM 0 H ARG A 14 -2.017 -0.544 -7.923 1.00 0.00 H new ATOM 0 HA ARG A 14 0.767 -0.419 -7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.394 1.018 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.866 2.108 -7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.277 2.718 -9.736 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.463 2.078 -8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.783 0.110 -9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.119 0.058 -10.412 1.00 0.00 H new ATOM 0 HE ARG A 14 2.258 1.915 -11.524 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.132 1.455 -11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.426 1.585 -13.030 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.971 1.647 -13.853 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.314 1.693 -14.466 1.00 0.00 H new ATOM 237 N ILE A 15 -0.341 0.835 -5.189 1.00 0.00 N ATOM 238 CA ILE A 15 0.139 1.304 -3.855 1.00 0.00 C ATOM 239 C ILE A 15 0.770 0.152 -3.074 1.00 0.00 C ATOM 240 O ILE A 15 1.554 0.361 -2.171 1.00 0.00 O ATOM 241 CB ILE A 15 -1.113 1.811 -3.138 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.969 2.633 -4.109 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.696 2.689 -1.958 1.00 0.00 C ATOM 244 CD1 ILE A 15 -1.069 3.564 -4.927 1.00 0.00 C ATOM 0 H ILE A 15 -1.352 0.734 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 15 0.902 2.077 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.694 0.962 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.522 1.969 -4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.705 3.216 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.585 3.053 -1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.090 2.104 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.115 3.536 -2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.680 4.147 -5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.536 4.237 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.350 2.971 -5.492 1.00 0.00 H new ATOM 256 N ASP A 16 0.435 -1.062 -3.407 1.00 0.00 N ATOM 257 CA ASP A 16 1.017 -2.219 -2.671 1.00 0.00 C ATOM 258 C ASP A 16 2.349 -2.636 -3.295 1.00 0.00 C ATOM 259 O ASP A 16 3.368 -2.674 -2.633 1.00 0.00 O ATOM 260 CB ASP A 16 -0.016 -3.337 -2.813 1.00 0.00 C ATOM 261 CG ASP A 16 -1.109 -3.159 -1.758 1.00 0.00 C ATOM 262 OD1 ASP A 16 -0.898 -2.384 -0.840 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.138 -3.802 -1.885 1.00 0.00 O ATOM 0 H ASP A 16 -0.215 -1.304 -4.155 1.00 0.00 H new ATOM 0 HA ASP A 16 1.222 -1.981 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.453 -3.318 -3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.465 -4.308 -2.694 1.00 0.00 H new ATOM 268 N ARG A 17 2.356 -2.954 -4.561 1.00 0.00 N ATOM 269 CA ARG A 17 3.631 -3.371 -5.208 1.00 0.00 C ATOM 270 C ARG A 17 4.676 -2.273 -5.060 1.00 0.00 C ATOM 271 O ARG A 17 5.840 -2.537 -4.834 1.00 0.00 O ATOM 272 CB ARG A 17 3.284 -3.597 -6.680 1.00 0.00 C ATOM 273 CG ARG A 17 2.741 -2.305 -7.290 1.00 0.00 C ATOM 274 CD ARG A 17 3.881 -1.549 -7.977 1.00 0.00 C ATOM 275 NE ARG A 17 4.353 -2.467 -9.052 1.00 0.00 N ATOM 276 CZ ARG A 17 5.083 -2.006 -10.030 1.00 0.00 C ATOM 277 NH1 ARG A 17 4.516 -1.411 -11.043 1.00 0.00 N ATOM 278 NH2 ARG A 17 6.382 -2.140 -9.995 1.00 0.00 N ATOM 0 H ARG A 17 1.539 -2.943 -5.172 1.00 0.00 H new ATOM 0 HA ARG A 17 4.049 -4.270 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.169 -3.923 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.543 -4.392 -6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.955 -2.532 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.293 -1.684 -6.514 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.535 -0.601 -8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.682 -1.317 -7.275 1.00 0.00 H new ATOM 0 HE ARG A 17 4.105 -3.456 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.502 -1.306 -11.070 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.087 -1.051 -11.808 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.826 -2.605 -9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.953 -1.780 -10.760 1.00 0.00 H new ATOM 292 N ASN A 18 4.268 -1.047 -5.149 1.00 0.00 N ATOM 293 CA ASN A 18 5.236 0.067 -4.976 1.00 0.00 C ATOM 294 C ASN A 18 5.628 0.164 -3.508 1.00 0.00 C ATOM 295 O ASN A 18 6.786 0.315 -3.172 1.00 0.00 O ATOM 296 CB ASN A 18 4.489 1.325 -5.421 1.00 0.00 C ATOM 297 CG ASN A 18 5.495 2.383 -5.879 1.00 0.00 C ATOM 298 OD1 ASN A 18 6.658 2.324 -5.529 1.00 0.00 O ATOM 299 ND2 ASN A 18 5.095 3.353 -6.653 1.00 0.00 N ATOM 0 H ASN A 18 3.306 -0.764 -5.334 1.00 0.00 H new ATOM 0 HA ASN A 18 6.150 -0.075 -5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.803 1.085 -6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.887 1.713 -4.599 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.758 4.063 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.119 3.402 -6.946 1.00 0.00 H new ATOM 306 N ILE A 19 4.676 0.042 -2.626 1.00 0.00 N ATOM 307 CA ILE A 19 5.001 0.087 -1.180 1.00 0.00 C ATOM 308 C ILE A 19 5.800 -1.158 -0.804 1.00 0.00 C ATOM 309 O ILE A 19 6.649 -1.126 0.065 1.00 0.00 O ATOM 310 CB ILE A 19 3.651 0.100 -0.465 1.00 0.00 C ATOM 311 CG1 ILE A 19 3.084 1.522 -0.471 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.833 -0.367 0.979 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.775 1.554 0.320 1.00 0.00 C ATOM 0 H ILE A 19 3.689 -0.087 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 19 5.602 0.955 -0.910 1.00 0.00 H new ATOM 0 HB ILE A 19 2.962 -0.570 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.803 2.213 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.910 1.851 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.870 -0.358 1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.237 -1.379 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.522 0.302 1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.372 2.567 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.056 0.875 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.963 1.243 1.348 1.00 0.00 H new ATOM 325 N LEU A 20 5.549 -2.257 -1.470 1.00 0.00 N ATOM 326 CA LEU A 20 6.311 -3.496 -1.165 1.00 0.00 C ATOM 327 C LEU A 20 7.732 -3.367 -1.709 1.00 0.00 C ATOM 328 O LEU A 20 8.690 -3.744 -1.065 1.00 0.00 O ATOM 329 CB LEU A 20 5.564 -4.613 -1.888 1.00 0.00 C ATOM 330 CG LEU A 20 4.360 -5.044 -1.055 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.330 -5.722 -1.959 1.00 0.00 C ATOM 332 CD2 LEU A 20 4.814 -6.027 0.026 1.00 0.00 C ATOM 0 H LEU A 20 4.851 -2.345 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 20 6.385 -3.688 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.236 -4.270 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.228 -5.462 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 20 3.911 -4.168 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.470 -6.030 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.006 -5.023 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.778 -6.598 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.955 -6.335 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.263 -6.902 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.548 -5.545 0.671 1.00 0.00 H new ATOM 344 N ASN A 21 7.879 -2.810 -2.884 1.00 0.00 N ATOM 345 CA ASN A 21 9.241 -2.634 -3.451 1.00 0.00 C ATOM 346 C ASN A 21 9.999 -1.596 -2.629 1.00 0.00 C ATOM 347 O ASN A 21 11.209 -1.632 -2.522 1.00 0.00 O ATOM 348 CB ASN A 21 9.020 -2.138 -4.879 1.00 0.00 C ATOM 349 CG ASN A 21 10.325 -1.560 -5.426 1.00 0.00 C ATOM 350 OD1 ASN A 21 11.370 -2.169 -5.304 1.00 0.00 O ATOM 351 ND2 ASN A 21 10.311 -0.403 -6.030 1.00 0.00 N ATOM 0 H ASN A 21 7.115 -2.472 -3.470 1.00 0.00 H new ATOM 0 HA ASN A 21 9.826 -3.553 -3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.680 -2.958 -5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.239 -1.378 -4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.177 -0.010 -6.400 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.434 0.108 -6.133 1.00 0.00 H new ATOM 358 N GLU A 22 9.288 -0.681 -2.026 1.00 0.00 N ATOM 359 CA GLU A 22 9.956 0.347 -1.186 1.00 0.00 C ATOM 360 C GLU A 22 10.276 -0.239 0.186 1.00 0.00 C ATOM 361 O GLU A 22 11.220 0.158 0.838 1.00 0.00 O ATOM 362 CB GLU A 22 8.939 1.482 -1.063 1.00 0.00 C ATOM 363 CG GLU A 22 8.879 2.260 -2.378 1.00 0.00 C ATOM 364 CD GLU A 22 10.295 2.641 -2.814 1.00 0.00 C ATOM 365 OE1 GLU A 22 10.808 3.621 -2.301 1.00 0.00 O ATOM 366 OE2 GLU A 22 10.843 1.944 -3.651 1.00 0.00 O ATOM 0 H GLU A 22 8.272 -0.604 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 22 10.896 0.693 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.956 1.078 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.219 2.148 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.401 1.655 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.272 3.157 -2.254 1.00 0.00 H new ATOM 373 N LEU A 23 9.510 -1.203 0.620 1.00 0.00 N ATOM 374 CA LEU A 23 9.792 -1.833 1.935 1.00 0.00 C ATOM 375 C LEU A 23 11.048 -2.697 1.822 1.00 0.00 C ATOM 376 O LEU A 23 11.834 -2.796 2.743 1.00 0.00 O ATOM 377 CB LEU A 23 8.568 -2.697 2.234 1.00 0.00 C ATOM 378 CG LEU A 23 7.724 -2.034 3.326 1.00 0.00 C ATOM 379 CD1 LEU A 23 8.619 -1.659 4.509 1.00 0.00 C ATOM 380 CD2 LEU A 23 7.066 -0.774 2.765 1.00 0.00 C ATOM 0 H LEU A 23 8.704 -1.579 0.120 1.00 0.00 H new ATOM 0 HA LEU A 23 9.967 -1.102 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.973 -2.828 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.881 -3.690 2.556 1.00 0.00 H new ATOM 0 HG LEU A 23 6.954 -2.729 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.017 -1.187 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.088 -2.558 4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.390 -0.965 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.465 -0.301 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.836 -0.080 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.427 -1.041 1.924 1.00 0.00 H new ATOM 392 N GLN A 24 11.250 -3.306 0.684 1.00 0.00 N ATOM 393 CA GLN A 24 12.464 -4.146 0.491 1.00 0.00 C ATOM 394 C GLN A 24 13.692 -3.249 0.330 1.00 0.00 C ATOM 395 O GLN A 24 14.747 -3.521 0.866 1.00 0.00 O ATOM 396 CB GLN A 24 12.203 -4.928 -0.796 1.00 0.00 C ATOM 397 CG GLN A 24 12.184 -6.425 -0.489 1.00 0.00 C ATOM 398 CD GLN A 24 13.595 -6.887 -0.122 1.00 0.00 C ATOM 399 OE1 GLN A 24 14.570 -6.313 -0.564 1.00 0.00 O ATOM 400 NE2 GLN A 24 13.748 -7.910 0.675 1.00 0.00 N ATOM 0 H GLN A 24 10.625 -3.257 -0.120 1.00 0.00 H new ATOM 0 HA GLN A 24 12.653 -4.807 1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.252 -4.624 -1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.976 -4.707 -1.532 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.497 -6.630 0.332 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.821 -6.980 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.930 -8.393 1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.685 -8.226 0.925 1.00 0.00 H new ATOM 409 N LYS A 25 13.556 -2.171 -0.397 1.00 0.00 N ATOM 410 CA LYS A 25 14.712 -1.249 -0.584 1.00 0.00 C ATOM 411 C LYS A 25 14.950 -0.454 0.692 1.00 0.00 C ATOM 412 O LYS A 25 16.065 -0.085 1.009 1.00 0.00 O ATOM 413 CB LYS A 25 14.299 -0.326 -1.736 1.00 0.00 C ATOM 414 CG LYS A 25 13.461 0.838 -1.199 1.00 0.00 C ATOM 415 CD LYS A 25 14.386 1.972 -0.756 1.00 0.00 C ATOM 416 CE LYS A 25 13.978 3.266 -1.462 1.00 0.00 C ATOM 417 NZ LYS A 25 14.880 3.359 -2.643 1.00 0.00 N ATOM 0 H LYS A 25 12.696 -1.891 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 25 15.640 -1.777 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.185 0.056 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.727 -0.887 -2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.777 1.193 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.851 0.504 -0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.329 2.101 0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.421 1.726 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.931 3.237 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.096 4.128 -0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.661 4.223 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.869 3.391 -2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.740 2.528 -3.253 1.00 0.00 H new ATOM 431 N ASP A 26 13.918 -0.199 1.433 1.00 0.00 N ATOM 432 CA ASP A 26 14.087 0.558 2.696 1.00 0.00 C ATOM 433 C ASP A 26 13.493 -0.231 3.866 1.00 0.00 C ATOM 434 O ASP A 26 12.466 0.125 4.409 1.00 0.00 O ATOM 435 CB ASP A 26 13.316 1.861 2.482 1.00 0.00 C ATOM 436 CG ASP A 26 14.271 3.048 2.620 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.469 2.823 2.606 1.00 0.00 O ATOM 438 OD2 ASP A 26 13.787 4.161 2.737 1.00 0.00 O ATOM 0 H ASP A 26 12.962 -0.482 1.219 1.00 0.00 H new ATOM 0 HA ASP A 26 15.135 0.739 2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.855 1.865 1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.510 1.943 3.211 1.00 0.00 H new ATOM 443 N GLY A 27 14.128 -1.304 4.255 1.00 0.00 N ATOM 444 CA GLY A 27 13.594 -2.119 5.387 1.00 0.00 C ATOM 445 C GLY A 27 13.698 -1.321 6.688 1.00 0.00 C ATOM 446 O GLY A 27 14.304 -1.756 7.647 1.00 0.00 O ATOM 0 H GLY A 27 14.992 -1.652 3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.555 -2.388 5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.154 -3.050 5.474 1.00 0.00 H new ATOM 450 N ARG A 28 13.107 -0.158 6.731 1.00 0.00 N ATOM 451 CA ARG A 28 13.168 0.669 7.968 1.00 0.00 C ATOM 452 C ARG A 28 12.396 1.974 7.764 1.00 0.00 C ATOM 453 O ARG A 28 12.802 3.026 8.216 1.00 0.00 O ATOM 454 CB ARG A 28 14.655 0.956 8.179 1.00 0.00 C ATOM 455 CG ARG A 28 15.198 1.742 6.983 1.00 0.00 C ATOM 456 CD ARG A 28 16.053 0.819 6.111 1.00 0.00 C ATOM 457 NE ARG A 28 17.373 0.754 6.799 1.00 0.00 N ATOM 458 CZ ARG A 28 18.026 -0.376 6.855 1.00 0.00 C ATOM 459 NH1 ARG A 28 18.059 -1.164 5.815 1.00 0.00 N ATOM 460 NH2 ARG A 28 18.649 -0.716 7.951 1.00 0.00 N ATOM 0 H ARG A 28 12.583 0.256 5.960 1.00 0.00 H new ATOM 0 HA ARG A 28 12.724 0.165 8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.800 1.525 9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.204 0.021 8.293 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.374 2.151 6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.793 2.587 7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.604 -0.170 6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.154 1.213 5.100 1.00 0.00 H new ATOM 0 HE ARG A 28 17.767 1.592 7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.575 -0.898 4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.569 -2.046 5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.626 -0.099 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.159 -1.598 7.995 1.00 0.00 H new ATOM 474 N ILE A 29 11.287 1.913 7.077 1.00 0.00 N ATOM 475 CA ILE A 29 10.493 3.152 6.834 1.00 0.00 C ATOM 476 C ILE A 29 9.098 3.017 7.436 1.00 0.00 C ATOM 477 O ILE A 29 8.443 2.004 7.295 1.00 0.00 O ATOM 478 CB ILE A 29 10.413 3.274 5.312 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.547 4.480 4.940 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.792 2.003 4.728 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.216 4.428 3.446 1.00 0.00 C ATOM 0 H ILE A 29 10.897 1.061 6.674 1.00 0.00 H new ATOM 0 HA ILE A 29 10.948 4.030 7.292 1.00 0.00 H new ATOM 0 HB ILE A 29 11.416 3.408 4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.629 4.477 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.073 5.405 5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.735 2.091 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.408 1.143 4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.789 1.868 5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.599 5.286 3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.140 4.452 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.673 3.509 3.225 1.00 0.00 H new ATOM 493 N SER A 30 8.638 4.035 8.107 1.00 0.00 N ATOM 494 CA SER A 30 7.286 3.971 8.718 1.00 0.00 C ATOM 495 C SER A 30 6.218 4.290 7.668 1.00 0.00 C ATOM 496 O SER A 30 6.493 4.903 6.657 1.00 0.00 O ATOM 497 CB SER A 30 7.297 5.039 9.811 1.00 0.00 C ATOM 498 OG SER A 30 8.308 5.996 9.523 1.00 0.00 O ATOM 0 H SER A 30 9.142 4.909 8.258 1.00 0.00 H new ATOM 0 HA SER A 30 7.057 2.982 9.115 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.324 5.527 9.868 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.481 4.580 10.782 1.00 0.00 H new ATOM 0 HG SER A 30 9.142 5.734 9.966 1.00 0.00 H new ATOM 504 N ASN A 31 5.002 3.877 7.899 1.00 0.00 N ATOM 505 CA ASN A 31 3.920 4.156 6.910 1.00 0.00 C ATOM 506 C ASN A 31 3.915 5.636 6.531 1.00 0.00 C ATOM 507 O ASN A 31 3.873 5.981 5.372 1.00 0.00 O ATOM 508 CB ASN A 31 2.626 3.778 7.625 1.00 0.00 C ATOM 509 CG ASN A 31 2.464 2.257 7.609 1.00 0.00 C ATOM 510 OD1 ASN A 31 2.702 1.598 8.601 1.00 0.00 O ATOM 511 ND2 ASN A 31 2.068 1.668 6.514 1.00 0.00 N ATOM 0 H ASN A 31 4.710 3.359 8.728 1.00 0.00 H new ATOM 0 HA ASN A 31 4.052 3.596 5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.645 4.142 8.652 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.775 4.251 7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.958 0.654 6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.868 2.221 5.681 1.00 0.00 H new ATOM 518 N VAL A 32 3.971 6.516 7.495 1.00 0.00 N ATOM 519 CA VAL A 32 3.985 7.969 7.162 1.00 0.00 C ATOM 520 C VAL A 32 4.904 8.209 5.965 1.00 0.00 C ATOM 521 O VAL A 32 4.464 8.592 4.898 1.00 0.00 O ATOM 522 CB VAL A 32 4.531 8.660 8.411 1.00 0.00 C ATOM 523 CG1 VAL A 32 4.661 10.161 8.149 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.572 8.429 9.581 1.00 0.00 C ATOM 0 H VAL A 32 4.007 6.294 8.490 1.00 0.00 H new ATOM 0 HA VAL A 32 2.999 8.349 6.895 1.00 0.00 H new ATOM 0 HB VAL A 32 5.510 8.248 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.050 10.653 9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.343 10.327 7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.682 10.574 7.905 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.960 8.921 10.472 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.593 8.841 9.336 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.478 7.359 9.769 1.00 0.00 H new ATOM 534 N GLU A 33 6.172 7.939 6.116 1.00 0.00 N ATOM 535 CA GLU A 33 7.097 8.101 4.966 1.00 0.00 C ATOM 536 C GLU A 33 6.676 7.139 3.860 1.00 0.00 C ATOM 537 O GLU A 33 6.785 7.432 2.688 1.00 0.00 O ATOM 538 CB GLU A 33 8.479 7.730 5.507 1.00 0.00 C ATOM 539 CG GLU A 33 9.560 8.360 4.626 1.00 0.00 C ATOM 540 CD GLU A 33 10.266 9.476 5.399 1.00 0.00 C ATOM 541 OE1 GLU A 33 9.899 9.704 6.540 1.00 0.00 O ATOM 542 OE2 GLU A 33 11.162 10.084 4.836 1.00 0.00 O ATOM 0 H GLU A 33 6.603 7.615 6.982 1.00 0.00 H new ATOM 0 HA GLU A 33 7.093 9.109 4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.584 8.078 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.595 6.646 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.282 7.602 4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.114 8.760 3.716 1.00 0.00 H new ATOM 549 N LEU A 34 6.160 6.000 4.238 1.00 0.00 N ATOM 550 CA LEU A 34 5.687 5.013 3.231 1.00 0.00 C ATOM 551 C LEU A 34 4.456 5.560 2.510 1.00 0.00 C ATOM 552 O LEU A 34 4.035 5.043 1.497 1.00 0.00 O ATOM 553 CB LEU A 34 5.322 3.770 4.040 1.00 0.00 C ATOM 554 CG LEU A 34 5.823 2.523 3.313 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.258 1.276 3.994 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.361 2.562 1.855 1.00 0.00 C ATOM 0 H LEU A 34 6.046 5.711 5.210 1.00 0.00 H new ATOM 0 HA LEU A 34 6.438 4.798 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.765 3.827 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.242 3.716 4.175 1.00 0.00 H new ATOM 0 HG LEU A 34 6.912 2.495 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.615 0.386 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.587 1.248 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.169 1.304 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.718 1.672 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.272 2.590 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.763 3.451 1.370 1.00 0.00 H new ATOM 568 N SER A 35 3.860 6.585 3.048 1.00 0.00 N ATOM 569 CA SER A 35 2.639 7.162 2.422 1.00 0.00 C ATOM 570 C SER A 35 3.012 8.195 1.354 1.00 0.00 C ATOM 571 O SER A 35 2.525 8.157 0.243 1.00 0.00 O ATOM 572 CB SER A 35 1.903 7.835 3.569 1.00 0.00 C ATOM 573 OG SER A 35 2.457 9.126 3.793 1.00 0.00 O ATOM 0 H SER A 35 4.168 7.052 3.901 1.00 0.00 H new ATOM 0 HA SER A 35 2.036 6.403 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.842 7.918 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.984 7.230 4.472 1.00 0.00 H new ATOM 0 HG SER A 35 3.122 9.077 4.512 1.00 0.00 H new ATOM 579 N LYS A 36 3.849 9.135 1.693 1.00 0.00 N ATOM 580 CA LYS A 36 4.226 10.194 0.707 1.00 0.00 C ATOM 581 C LYS A 36 5.238 9.664 -0.318 1.00 0.00 C ATOM 582 O LYS A 36 5.455 10.267 -1.351 1.00 0.00 O ATOM 583 CB LYS A 36 4.857 11.302 1.550 1.00 0.00 C ATOM 584 CG LYS A 36 3.755 12.113 2.233 1.00 0.00 C ATOM 585 CD LYS A 36 4.318 12.782 3.487 1.00 0.00 C ATOM 586 CE LYS A 36 3.437 12.436 4.689 1.00 0.00 C ATOM 587 NZ LYS A 36 4.035 13.185 5.828 1.00 0.00 N ATOM 0 H LYS A 36 4.290 9.219 2.609 1.00 0.00 H new ATOM 0 HA LYS A 36 3.364 10.539 0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.522 10.871 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.464 11.952 0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.366 12.867 1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.921 11.463 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.340 12.447 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.356 13.863 3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.402 12.734 4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.433 11.363 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.486 13.000 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.018 12.876 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.019 14.204 5.620 1.00 0.00 H new ATOM 601 N ARG A 37 5.871 8.559 -0.042 1.00 0.00 N ATOM 602 CA ARG A 37 6.877 8.021 -1.003 1.00 0.00 C ATOM 603 C ARG A 37 6.182 7.283 -2.150 1.00 0.00 C ATOM 604 O ARG A 37 6.768 7.031 -3.185 1.00 0.00 O ATOM 605 CB ARG A 37 7.744 7.067 -0.166 1.00 0.00 C ATOM 606 CG ARG A 37 7.917 5.733 -0.892 1.00 0.00 C ATOM 607 CD ARG A 37 9.184 5.041 -0.387 1.00 0.00 C ATOM 608 NE ARG A 37 10.295 5.690 -1.138 1.00 0.00 N ATOM 609 CZ ARG A 37 11.454 5.862 -0.565 1.00 0.00 C ATOM 610 NH1 ARG A 37 11.516 6.224 0.687 1.00 0.00 N ATOM 611 NH2 ARG A 37 12.551 5.672 -1.244 1.00 0.00 N ATOM 0 H ARG A 37 5.737 8.005 0.804 1.00 0.00 H new ATOM 0 HA ARG A 37 7.474 8.806 -1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.719 7.518 0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.280 6.902 0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.049 5.097 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.983 5.897 -1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.304 5.171 0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.152 3.968 -0.577 1.00 0.00 H new ATOM 0 HE ARG A 37 10.149 5.999 -2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.658 6.373 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.423 6.358 1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.502 5.389 -2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.458 5.806 -0.796 1.00 0.00 H new ATOM 625 N VAL A 38 4.942 6.950 -1.983 1.00 0.00 N ATOM 626 CA VAL A 38 4.209 6.240 -3.074 1.00 0.00 C ATOM 627 C VAL A 38 3.157 7.164 -3.686 1.00 0.00 C ATOM 628 O VAL A 38 2.519 6.835 -4.667 1.00 0.00 O ATOM 629 CB VAL A 38 3.550 5.023 -2.412 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.513 3.835 -2.464 1.00 0.00 C ATOM 631 CG2 VAL A 38 3.217 5.338 -0.953 1.00 0.00 C ATOM 0 H VAL A 38 4.397 7.135 -1.141 1.00 0.00 H new ATOM 0 HA VAL A 38 4.875 5.936 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 38 2.631 4.780 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.048 2.969 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.748 3.602 -3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.431 4.087 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.749 4.469 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.133 5.586 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.531 6.184 -0.911 1.00 0.00 H new ATOM 641 N GLY A 39 2.994 8.330 -3.131 1.00 0.00 N ATOM 642 CA GLY A 39 2.009 9.294 -3.695 1.00 0.00 C ATOM 643 C GLY A 39 0.633 9.084 -3.052 1.00 0.00 C ATOM 644 O GLY A 39 -0.383 9.120 -3.719 1.00 0.00 O ATOM 0 H GLY A 39 3.501 8.659 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.348 10.315 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.938 9.162 -4.775 1.00 0.00 H new ATOM 648 N LEU A 40 0.587 8.883 -1.763 1.00 0.00 N ATOM 649 CA LEU A 40 -0.735 8.692 -1.087 1.00 0.00 C ATOM 650 C LEU A 40 -0.649 9.094 0.378 1.00 0.00 C ATOM 651 O LEU A 40 0.420 9.176 0.950 1.00 0.00 O ATOM 652 CB LEU A 40 -1.035 7.195 -1.184 1.00 0.00 C ATOM 653 CG LEU A 40 0.230 6.401 -0.891 1.00 0.00 C ATOM 654 CD1 LEU A 40 -0.030 5.425 0.262 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.633 5.618 -2.138 1.00 0.00 C ATOM 0 H LEU A 40 1.401 8.842 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.509 9.302 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.819 6.924 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.407 6.952 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 40 1.032 7.084 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.877 4.858 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.321 5.983 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.831 4.740 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.539 5.048 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.171 4.935 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.819 6.311 -2.959 1.00 0.00 H new ATOM 667 N SER A 41 -1.771 9.292 1.003 1.00 0.00 N ATOM 668 CA SER A 41 -1.759 9.626 2.448 1.00 0.00 C ATOM 669 C SER A 41 -1.374 8.391 3.228 1.00 0.00 C ATOM 670 O SER A 41 -1.475 7.288 2.731 1.00 0.00 O ATOM 671 CB SER A 41 -3.186 10.042 2.782 1.00 0.00 C ATOM 672 OG SER A 41 -4.041 9.726 1.691 1.00 0.00 O ATOM 0 H SER A 41 -2.695 9.237 0.576 1.00 0.00 H new ATOM 0 HA SER A 41 -1.050 10.417 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.524 9.529 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.225 11.111 2.990 1.00 0.00 H new ATOM 0 HG SER A 41 -4.044 10.469 1.052 1.00 0.00 H new ATOM 678 N PRO A 42 -0.919 8.607 4.411 1.00 0.00 N ATOM 679 CA PRO A 42 -0.486 7.487 5.242 1.00 0.00 C ATOM 680 C PRO A 42 -1.692 6.721 5.775 1.00 0.00 C ATOM 681 O PRO A 42 -1.744 5.510 5.701 1.00 0.00 O ATOM 682 CB PRO A 42 0.293 8.149 6.363 1.00 0.00 C ATOM 683 CG PRO A 42 -0.257 9.541 6.453 1.00 0.00 C ATOM 684 CD PRO A 42 -0.764 9.901 5.078 1.00 0.00 C ATOM 0 HA PRO A 42 0.113 6.755 4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.164 7.613 7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.361 8.161 6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.061 9.592 7.187 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.514 10.241 6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.710 10.440 5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.060 10.542 4.548 1.00 0.00 H new ATOM 692 N THR A 43 -2.674 7.408 6.292 1.00 0.00 N ATOM 693 CA THR A 43 -3.880 6.698 6.801 1.00 0.00 C ATOM 694 C THR A 43 -4.240 5.551 5.845 1.00 0.00 C ATOM 695 O THR A 43 -4.327 4.409 6.252 1.00 0.00 O ATOM 696 CB THR A 43 -4.986 7.762 6.833 1.00 0.00 C ATOM 697 OG1 THR A 43 -5.032 8.352 8.125 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.340 7.118 6.520 1.00 0.00 C ATOM 0 H THR A 43 -2.693 8.424 6.383 1.00 0.00 H new ATOM 0 HA THR A 43 -3.729 6.256 7.786 1.00 0.00 H new ATOM 0 HB THR A 43 -4.772 8.526 6.085 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.736 9.033 8.149 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.119 7.880 6.545 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.307 6.665 5.529 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.559 6.351 7.263 1.00 0.00 H new ATOM 706 N PRO A 44 -4.405 5.897 4.594 1.00 0.00 N ATOM 707 CA PRO A 44 -4.716 4.883 3.565 1.00 0.00 C ATOM 708 C PRO A 44 -3.460 4.090 3.207 1.00 0.00 C ATOM 709 O PRO A 44 -3.500 2.884 3.074 1.00 0.00 O ATOM 710 CB PRO A 44 -5.190 5.706 2.374 1.00 0.00 C ATOM 711 CG PRO A 44 -4.552 7.052 2.552 1.00 0.00 C ATOM 712 CD PRO A 44 -4.330 7.251 4.036 1.00 0.00 C ATOM 0 HA PRO A 44 -5.458 4.155 3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.888 5.248 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.277 5.784 2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.607 7.104 2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.192 7.837 2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.362 7.711 4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.089 7.903 4.469 1.00 0.00 H new ATOM 720 N CYS A 45 -2.331 4.750 3.065 1.00 0.00 N ATOM 721 CA CYS A 45 -1.081 4.003 2.740 1.00 0.00 C ATOM 722 C CYS A 45 -1.078 2.700 3.515 1.00 0.00 C ATOM 723 O CYS A 45 -0.888 1.633 2.965 1.00 0.00 O ATOM 724 CB CYS A 45 0.064 4.901 3.203 1.00 0.00 C ATOM 725 SG CYS A 45 1.643 4.075 2.881 1.00 0.00 S ATOM 0 H CYS A 45 -2.226 5.760 3.160 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.993 3.767 1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.027 5.856 2.679 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.036 5.117 4.267 1.00 0.00 H new ATOM 0 HG CYS A 45 2.243 4.659 1.886 1.00 0.00 H new ATOM 731 N LEU A 46 -1.352 2.772 4.784 1.00 0.00 N ATOM 732 CA LEU A 46 -1.438 1.540 5.588 1.00 0.00 C ATOM 733 C LEU A 46 -2.552 0.673 5.029 1.00 0.00 C ATOM 734 O LEU A 46 -2.360 -0.483 4.726 1.00 0.00 O ATOM 735 CB LEU A 46 -1.777 2.012 6.993 1.00 0.00 C ATOM 736 CG LEU A 46 -0.632 2.873 7.516 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.141 4.284 7.817 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.069 2.250 8.794 1.00 0.00 C ATOM 0 H LEU A 46 -1.520 3.638 5.296 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.520 0.952 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.705 2.584 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.936 1.157 7.650 1.00 0.00 H new ATOM 0 HG LEU A 46 0.152 2.927 6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.319 4.895 8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.539 4.729 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.927 4.234 8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.749 2.865 9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.854 2.193 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.300 1.247 8.578 1.00 0.00 H new ATOM 750 N GLU A 47 -3.714 1.239 4.846 1.00 0.00 N ATOM 751 CA GLU A 47 -4.826 0.450 4.259 1.00 0.00 C ATOM 752 C GLU A 47 -4.296 -0.335 3.060 1.00 0.00 C ATOM 753 O GLU A 47 -4.693 -1.456 2.806 1.00 0.00 O ATOM 754 CB GLU A 47 -5.867 1.479 3.819 1.00 0.00 C ATOM 755 CG GLU A 47 -6.908 1.654 4.927 1.00 0.00 C ATOM 756 CD GLU A 47 -7.574 3.024 4.789 1.00 0.00 C ATOM 757 OE1 GLU A 47 -8.338 3.197 3.854 1.00 0.00 O ATOM 758 OE2 GLU A 47 -7.311 3.875 5.622 1.00 0.00 O ATOM 0 H GLU A 47 -3.937 2.207 5.077 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.256 -0.265 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.384 2.432 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.351 1.153 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.658 0.865 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.433 1.565 5.904 1.00 0.00 H new ATOM 765 N ARG A 48 -3.360 0.239 2.345 1.00 0.00 N ATOM 766 CA ARG A 48 -2.756 -0.477 1.188 1.00 0.00 C ATOM 767 C ARG A 48 -1.821 -1.572 1.707 1.00 0.00 C ATOM 768 O ARG A 48 -1.932 -2.732 1.348 1.00 0.00 O ATOM 769 CB ARG A 48 -1.963 0.593 0.423 1.00 0.00 C ATOM 770 CG ARG A 48 -2.839 1.831 0.208 1.00 0.00 C ATOM 771 CD ARG A 48 -3.614 1.689 -1.103 1.00 0.00 C ATOM 772 NE ARG A 48 -4.914 2.374 -0.854 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.276 3.380 -1.602 1.00 0.00 C ATOM 774 NH1 ARG A 48 -4.527 4.448 -1.667 1.00 0.00 N ATOM 775 NH2 ARG A 48 -6.386 3.320 -2.285 1.00 0.00 N ATOM 0 H ARG A 48 -2.990 1.174 2.516 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.500 -0.954 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.066 0.863 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.634 0.198 -0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.532 1.948 1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.219 2.727 0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.077 2.150 -1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.763 0.641 -1.363 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.521 2.056 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.659 4.496 -1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.810 5.234 -2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.971 2.486 -2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.668 4.107 -2.869 1.00 0.00 H new ATOM 789 N VAL A 49 -0.916 -1.209 2.576 1.00 0.00 N ATOM 790 CA VAL A 49 0.015 -2.217 3.151 1.00 0.00 C ATOM 791 C VAL A 49 -0.772 -3.253 3.960 1.00 0.00 C ATOM 792 O VAL A 49 -0.584 -4.444 3.813 1.00 0.00 O ATOM 793 CB VAL A 49 0.953 -1.402 4.059 1.00 0.00 C ATOM 794 CG1 VAL A 49 1.005 -2.025 5.458 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.356 -1.403 3.455 1.00 0.00 C ATOM 0 H VAL A 49 -0.783 -0.255 2.912 1.00 0.00 H new ATOM 0 HA VAL A 49 0.566 -2.769 2.390 1.00 0.00 H new ATOM 0 HB VAL A 49 0.579 -0.381 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.672 -1.440 6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.005 -2.031 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.376 -3.048 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.027 -0.827 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.719 -2.428 3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.325 -0.954 2.462 1.00 0.00 H new ATOM 805 N ARG A 50 -1.659 -2.807 4.807 1.00 0.00 N ATOM 806 CA ARG A 50 -2.462 -3.765 5.616 1.00 0.00 C ATOM 807 C ARG A 50 -3.029 -4.844 4.707 1.00 0.00 C ATOM 808 O ARG A 50 -2.946 -6.024 4.994 1.00 0.00 O ATOM 809 CB ARG A 50 -3.583 -2.929 6.236 1.00 0.00 C ATOM 810 CG ARG A 50 -2.988 -1.681 6.894 1.00 0.00 C ATOM 811 CD ARG A 50 -3.163 -1.765 8.408 1.00 0.00 C ATOM 812 NE ARG A 50 -3.742 -0.448 8.797 1.00 0.00 N ATOM 813 CZ ARG A 50 -3.780 -0.094 10.054 1.00 0.00 C ATOM 814 NH1 ARG A 50 -3.410 -0.934 10.981 1.00 0.00 N ATOM 815 NH2 ARG A 50 -4.190 1.100 10.382 1.00 0.00 N ATOM 0 H ARG A 50 -1.862 -1.821 4.973 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.871 -4.266 6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.302 -2.641 5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.125 -3.519 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.930 -1.596 6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.479 -0.787 6.510 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.825 -2.586 8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.210 -1.941 8.907 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.109 0.178 8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.091 -1.868 10.725 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.440 -0.657 11.962 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.481 1.756 9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.220 1.377 11.363 1.00 0.00 H new ATOM 829 N ARG A 51 -3.570 -4.456 3.590 1.00 0.00 N ATOM 830 CA ARG A 51 -4.100 -5.467 2.640 1.00 0.00 C ATOM 831 C ARG A 51 -3.001 -6.472 2.325 1.00 0.00 C ATOM 832 O ARG A 51 -3.229 -7.665 2.263 1.00 0.00 O ATOM 833 CB ARG A 51 -4.482 -4.683 1.385 1.00 0.00 C ATOM 834 CG ARG A 51 -4.845 -5.664 0.265 1.00 0.00 C ATOM 835 CD ARG A 51 -3.595 -5.995 -0.557 1.00 0.00 C ATOM 836 NE ARG A 51 -3.828 -7.377 -1.063 1.00 0.00 N ATOM 837 CZ ARG A 51 -4.020 -7.580 -2.339 1.00 0.00 C ATOM 838 NH1 ARG A 51 -3.361 -6.877 -3.219 1.00 0.00 N ATOM 839 NH2 ARG A 51 -4.870 -8.488 -2.734 1.00 0.00 N ATOM 0 H ARG A 51 -3.668 -3.485 3.294 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.953 -6.016 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.326 -4.026 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.653 -4.048 1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.265 -6.576 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.610 -5.230 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.463 -5.290 -1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.694 -5.944 0.055 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.838 -8.164 -0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.695 -6.168 -2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.512 -7.036 -4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.384 -9.039 -2.046 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.020 -8.647 -3.730 1.00 0.00 H new ATOM 853 N LEU A 52 -1.797 -5.998 2.144 1.00 0.00 N ATOM 854 CA LEU A 52 -0.668 -6.921 1.856 1.00 0.00 C ATOM 855 C LEU A 52 -0.385 -7.794 3.080 1.00 0.00 C ATOM 856 O LEU A 52 0.113 -8.896 2.969 1.00 0.00 O ATOM 857 CB LEU A 52 0.521 -6.010 1.564 1.00 0.00 C ATOM 858 CG LEU A 52 0.256 -5.222 0.282 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.385 -4.218 0.063 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.193 -6.187 -0.905 1.00 0.00 C ATOM 0 H LEU A 52 -1.549 -5.009 2.184 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.880 -7.592 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.682 -5.326 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.430 -6.603 1.458 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.692 -4.691 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.198 -3.654 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.431 -3.532 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.332 -4.750 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.004 -5.626 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.141 -6.717 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.611 -6.906 -0.747 1.00 0.00 H new ATOM 872 N GLU A 53 -0.700 -7.305 4.249 1.00 0.00 N ATOM 873 CA GLU A 53 -0.453 -8.101 5.485 1.00 0.00 C ATOM 874 C GLU A 53 -1.288 -9.382 5.466 1.00 0.00 C ATOM 875 O GLU A 53 -0.763 -10.476 5.509 1.00 0.00 O ATOM 876 CB GLU A 53 -0.901 -7.193 6.631 1.00 0.00 C ATOM 877 CG GLU A 53 0.249 -7.014 7.621 1.00 0.00 C ATOM 878 CD GLU A 53 -0.271 -7.208 9.047 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.774 -6.249 9.608 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.156 -8.312 9.553 1.00 0.00 O ATOM 0 H GLU A 53 -1.118 -6.387 4.401 1.00 0.00 H new ATOM 0 HA GLU A 53 0.590 -8.402 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.213 -6.224 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.765 -7.626 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.040 -7.734 7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.685 -6.021 7.513 1.00 0.00 H new ATOM 887 N ARG A 54 -2.585 -9.254 5.402 1.00 0.00 N ATOM 888 CA ARG A 54 -3.451 -10.467 5.378 1.00 0.00 C ATOM 889 C ARG A 54 -2.896 -11.493 4.386 1.00 0.00 C ATOM 890 O ARG A 54 -3.141 -12.678 4.499 1.00 0.00 O ATOM 891 CB ARG A 54 -4.820 -9.964 4.919 1.00 0.00 C ATOM 892 CG ARG A 54 -5.392 -9.010 5.969 1.00 0.00 C ATOM 893 CD ARG A 54 -6.737 -9.545 6.466 1.00 0.00 C ATOM 894 NE ARG A 54 -7.054 -8.733 7.672 1.00 0.00 N ATOM 895 CZ ARG A 54 -6.399 -8.929 8.787 1.00 0.00 C ATOM 896 NH1 ARG A 54 -5.549 -9.917 8.881 1.00 0.00 N ATOM 897 NH2 ARG A 54 -6.594 -8.139 9.806 1.00 0.00 N ATOM 0 H ARG A 54 -3.082 -8.364 5.365 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.501 -10.960 6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.729 -9.454 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.497 -10.805 4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.697 -8.911 6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.520 -8.016 5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.510 -9.438 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.674 -10.605 6.710 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.784 -8.022 7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.396 -10.536 8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.038 -10.069 9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.258 -7.368 9.734 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.083 -8.292 10.675 1.00 0.00 H new ATOM 911 N GLN A 55 -2.148 -11.045 3.413 1.00 0.00 N ATOM 912 CA GLN A 55 -1.576 -11.993 2.413 1.00 0.00 C ATOM 913 C GLN A 55 -0.183 -12.451 2.852 1.00 0.00 C ATOM 914 O GLN A 55 0.549 -13.061 2.096 1.00 0.00 O ATOM 915 CB GLN A 55 -1.491 -11.188 1.114 1.00 0.00 C ATOM 916 CG GLN A 55 -2.832 -11.259 0.382 1.00 0.00 C ATOM 917 CD GLN A 55 -2.880 -12.525 -0.476 1.00 0.00 C ATOM 918 OE1 GLN A 55 -1.996 -13.356 -0.402 1.00 0.00 O ATOM 919 NE2 GLN A 55 -3.883 -12.710 -1.289 1.00 0.00 N ATOM 0 H GLN A 55 -1.909 -10.064 3.268 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.183 -12.891 2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.238 -10.150 1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.697 -11.583 0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.651 -11.263 1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.963 -10.377 -0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.625 -12.013 -1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.926 -13.552 -1.863 1.00 0.00 H new ATOM 928 N GLY A 56 0.189 -12.164 4.069 1.00 0.00 N ATOM 929 CA GLY A 56 1.533 -12.585 4.558 1.00 0.00 C ATOM 930 C GLY A 56 2.619 -11.931 3.702 1.00 0.00 C ATOM 931 O GLY A 56 3.470 -12.597 3.147 1.00 0.00 O ATOM 0 H GLY A 56 -0.380 -11.656 4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.657 -12.298 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.624 -13.670 4.512 1.00 0.00 H new ATOM 935 N PHE A 57 2.598 -10.631 3.590 1.00 0.00 N ATOM 936 CA PHE A 57 3.633 -9.937 2.769 1.00 0.00 C ATOM 937 C PHE A 57 4.248 -8.779 3.558 1.00 0.00 C ATOM 938 O PHE A 57 5.080 -8.049 3.059 1.00 0.00 O ATOM 939 CB PHE A 57 2.882 -9.415 1.545 1.00 0.00 C ATOM 940 CG PHE A 57 2.746 -10.523 0.528 1.00 0.00 C ATOM 941 CD1 PHE A 57 3.878 -11.240 0.120 1.00 0.00 C ATOM 942 CD2 PHE A 57 1.490 -10.835 -0.005 1.00 0.00 C ATOM 943 CE1 PHE A 57 3.755 -12.267 -0.822 1.00 0.00 C ATOM 944 CE2 PHE A 57 1.366 -11.863 -0.948 1.00 0.00 C ATOM 945 CZ PHE A 57 2.499 -12.579 -1.357 1.00 0.00 C ATOM 0 H PHE A 57 1.911 -10.019 4.030 1.00 0.00 H new ATOM 0 HA PHE A 57 4.453 -10.600 2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.897 -9.052 1.837 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.417 -8.571 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.847 -11.000 0.533 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.617 -10.283 0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.628 -12.819 -1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.397 -12.104 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.404 -13.371 -2.085 1.00 0.00 H new ATOM 955 N ILE A 58 3.846 -8.610 4.787 1.00 0.00 N ATOM 956 CA ILE A 58 4.410 -7.501 5.610 1.00 0.00 C ATOM 957 C ILE A 58 4.832 -8.023 6.982 1.00 0.00 C ATOM 958 O ILE A 58 4.746 -7.329 7.975 1.00 0.00 O ATOM 959 CB ILE A 58 3.282 -6.482 5.743 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.498 -6.406 4.428 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.880 -5.114 6.048 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.456 -6.076 3.280 1.00 0.00 C ATOM 0 H ILE A 58 3.152 -9.191 5.258 1.00 0.00 H new ATOM 0 HA ILE A 58 5.296 -7.061 5.153 1.00 0.00 H new ATOM 0 HB ILE A 58 2.612 -6.784 6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.997 -7.355 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.722 -5.644 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.080 -4.380 6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.442 -5.162 6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.547 -4.819 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.898 -6.022 2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.937 -5.117 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.216 -6.854 3.205 1.00 0.00 H new ATOM 974 N GLN A 59 5.307 -9.236 7.040 1.00 0.00 N ATOM 975 CA GLN A 59 5.760 -9.797 8.344 1.00 0.00 C ATOM 976 C GLN A 59 7.166 -9.290 8.664 1.00 0.00 C ATOM 977 O GLN A 59 7.685 -9.498 9.743 1.00 0.00 O ATOM 978 CB GLN A 59 5.768 -11.313 8.142 1.00 0.00 C ATOM 979 CG GLN A 59 6.674 -11.665 6.960 1.00 0.00 C ATOM 980 CD GLN A 59 5.945 -12.636 6.030 1.00 0.00 C ATOM 981 OE1 GLN A 59 4.736 -12.597 5.920 1.00 0.00 O ATOM 982 NE2 GLN A 59 6.634 -13.512 5.351 1.00 0.00 N ATOM 0 H GLN A 59 5.401 -9.863 6.241 1.00 0.00 H new ATOM 0 HA GLN A 59 5.115 -9.503 9.172 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.122 -11.809 9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.755 -11.671 7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.948 -10.761 6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.600 -12.114 7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.649 -13.545 5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.157 -14.164 4.728 1.00 0.00 H new ATOM 991 N GLY A 60 7.781 -8.620 7.730 1.00 0.00 N ATOM 992 CA GLY A 60 9.152 -8.085 7.966 1.00 0.00 C ATOM 993 C GLY A 60 9.261 -6.688 7.350 1.00 0.00 C ATOM 994 O GLY A 60 9.891 -5.806 7.897 1.00 0.00 O ATOM 0 H GLY A 60 7.392 -8.419 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.359 -8.041 9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.895 -8.749 7.525 1.00 0.00 H new ATOM 998 N TYR A 61 8.641 -6.480 6.218 1.00 0.00 N ATOM 999 CA TYR A 61 8.696 -5.138 5.569 1.00 0.00 C ATOM 1000 C TYR A 61 8.200 -4.067 6.539 1.00 0.00 C ATOM 1001 O TYR A 61 8.831 -3.787 7.538 1.00 0.00 O ATOM 1002 CB TYR A 61 7.766 -5.248 4.362 1.00 0.00 C ATOM 1003 CG TYR A 61 8.246 -6.350 3.445 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.538 -6.873 3.589 1.00 0.00 C ATOM 1005 CD2 TYR A 61 7.398 -6.846 2.448 1.00 0.00 C ATOM 1006 CE1 TYR A 61 9.980 -7.891 2.736 1.00 0.00 C ATOM 1007 CE2 TYR A 61 7.841 -7.863 1.594 1.00 0.00 C ATOM 1008 CZ TYR A 61 9.132 -8.386 1.739 1.00 0.00 C ATOM 1009 OH TYR A 61 9.567 -9.390 0.898 1.00 0.00 O ATOM 0 H TYR A 61 8.099 -7.182 5.715 1.00 0.00 H new ATOM 0 HA TYR A 61 9.708 -4.856 5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.748 -5.455 4.693 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.740 -4.300 3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.193 -6.491 4.358 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.402 -6.444 2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.976 -8.294 2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.187 -8.244 0.823 1.00 0.00 H new ATOM 0 HH TYR A 61 8.855 -9.618 0.265 1.00 0.00 H new ATOM 1019 N THR A 62 7.071 -3.471 6.267 1.00 0.00 N ATOM 1020 CA THR A 62 6.554 -2.436 7.197 1.00 0.00 C ATOM 1021 C THR A 62 5.716 -3.088 8.283 1.00 0.00 C ATOM 1022 O THR A 62 4.822 -2.482 8.836 1.00 0.00 O ATOM 1023 CB THR A 62 5.702 -1.503 6.337 1.00 0.00 C ATOM 1024 OG1 THR A 62 5.513 -0.274 7.026 1.00 0.00 O ATOM 1025 CG2 THR A 62 4.341 -2.145 6.052 1.00 0.00 C ATOM 0 H THR A 62 6.491 -3.656 5.448 1.00 0.00 H new ATOM 0 HA THR A 62 7.356 -1.892 7.697 1.00 0.00 H new ATOM 0 HB THR A 62 6.212 -1.322 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.197 -0.454 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.742 -1.472 5.439 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.487 -3.086 5.522 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.824 -2.335 6.993 1.00 0.00 H new ATOM 1033 N ALA A 63 6.003 -4.320 8.599 1.00 0.00 N ATOM 1034 CA ALA A 63 5.230 -5.008 9.664 1.00 0.00 C ATOM 1035 C ALA A 63 4.937 -4.018 10.794 1.00 0.00 C ATOM 1036 O ALA A 63 3.919 -4.087 11.452 1.00 0.00 O ATOM 1037 CB ALA A 63 6.143 -6.131 10.158 1.00 0.00 C ATOM 0 H ALA A 63 6.739 -4.878 8.165 1.00 0.00 H new ATOM 0 HA ALA A 63 4.275 -5.395 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.640 -6.687 10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.373 -6.803 9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.068 -5.704 10.546 1.00 0.00 H new ATOM 1043 N LEU A 64 5.827 -3.079 11.002 1.00 0.00 N ATOM 1044 CA LEU A 64 5.609 -2.056 12.066 1.00 0.00 C ATOM 1045 C LEU A 64 4.256 -1.386 11.873 1.00 0.00 C ATOM 1046 O LEU A 64 3.633 -0.926 12.808 1.00 0.00 O ATOM 1047 CB LEU A 64 6.739 -1.035 11.870 1.00 0.00 C ATOM 1048 CG LEU A 64 6.943 -0.758 10.373 1.00 0.00 C ATOM 1049 CD1 LEU A 64 6.792 0.741 10.107 1.00 0.00 C ATOM 1050 CD2 LEU A 64 8.346 -1.208 9.958 1.00 0.00 C ATOM 0 H LEU A 64 6.697 -2.978 10.478 1.00 0.00 H new ATOM 0 HA LEU A 64 5.616 -2.490 13.066 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.497 -0.108 12.390 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.663 -1.414 12.307 1.00 0.00 H new ATOM 0 HG LEU A 64 6.198 -1.308 9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.937 0.938 9.045 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.794 1.064 10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.537 1.290 10.683 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.492 -1.012 8.896 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.090 -0.658 10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.457 -2.276 10.148 1.00 0.00 H new ATOM 1062 N LEU A 65 3.807 -1.329 10.664 1.00 0.00 N ATOM 1063 CA LEU A 65 2.496 -0.691 10.371 1.00 0.00 C ATOM 1064 C LEU A 65 1.456 -1.074 11.430 1.00 0.00 C ATOM 1065 O LEU A 65 0.490 -0.370 11.651 1.00 0.00 O ATOM 1066 CB LEU A 65 2.103 -1.237 8.995 1.00 0.00 C ATOM 1067 CG LEU A 65 1.523 -2.648 9.147 1.00 0.00 C ATOM 1068 CD1 LEU A 65 0.015 -2.610 8.899 1.00 0.00 C ATOM 1069 CD2 LEU A 65 2.182 -3.585 8.134 1.00 0.00 C ATOM 0 H LEU A 65 4.295 -1.701 9.849 1.00 0.00 H new ATOM 0 HA LEU A 65 2.552 0.397 10.382 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.369 -0.580 8.528 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.974 -1.260 8.340 1.00 0.00 H new ATOM 0 HG LEU A 65 1.717 -3.011 10.156 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.397 -3.613 9.007 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.456 -1.944 9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.179 -2.245 7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.769 -4.588 8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.991 -3.222 7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.257 -3.614 8.311 1.00 0.00 H new ATOM 1081 N ASN A 66 1.645 -2.183 12.086 1.00 0.00 N ATOM 1082 CA ASN A 66 0.668 -2.612 13.129 1.00 0.00 C ATOM 1083 C ASN A 66 1.118 -2.126 14.510 1.00 0.00 C ATOM 1084 O ASN A 66 0.299 -2.130 15.415 1.00 0.00 O ATOM 1085 CB ASN A 66 0.674 -4.140 13.072 1.00 0.00 C ATOM 1086 CG ASN A 66 -0.589 -4.680 13.745 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -1.192 -4.009 14.559 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -1.019 -5.873 13.437 1.00 0.00 N ATOM 1089 OXT ASN A 66 2.275 -1.759 14.639 1.00 0.00 O ATOM 0 H ASN A 66 2.435 -2.814 11.946 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.326 -2.200 12.956 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.719 -4.476 12.036 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.561 -4.530 13.572 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.861 -6.242 13.879 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.513 -6.437 12.754 1.00 0.00 H new TER 1096 ASN A 66