USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 744 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 54 SER OG : rot 44:sc= -0.594 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.242 X(o=-2.6,f=-3) USER MOD Set 1.3: A 89 GLN :FLIP amide:sc= -0.804 X(o=-3,f=-2.6) USER MOD Set 1.4: A 90 GLN : amide:sc= -0.994 K(o=-2.6,f=-3.5) USER MOD Set 2.1: A 28 SER OG : rot 154:sc= 0.381 USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0.359 USER MOD Set 2.3: A 88 GLN : amide:sc= -1.23 K(o=-0.58,f=-3.8!) USER MOD Set 2.4: A 95 TYR OH : rot -13:sc= -0.0919 USER MOD Set 3.1: A 15 ASN : amide:sc= -0.541 X(o=-1.5,f=-1.7) USER MOD Set 3.2: A 37 HIS :FLIP no HD1:sc= -0.929 F(o=-2,f=-1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0754 (180deg=-0.23) USER MOD Single : A 5 LYS NZ :NH3+ 133:sc= -0.463 (180deg=-1.79!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 45:sc= 0.424 USER MOD Single : A 14 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.13) USER MOD Single : A 17 HIS : no HE2:sc= -0.627 K(o=-0.63,f=-2.9!) USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.1!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= 0.0723 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -107:sc= -1.68 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00346 USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= -0.333 (180deg=-1.53!) USER MOD Single : A 44 MET CE :methyl 168:sc= -0.0877 (180deg=-0.492) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.356 USER MOD Single : A 51 GLN : amide:sc= -3.3 K(o=-3.3,f=-7!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.54) USER MOD Single : A 68 ASN : amide:sc= -0.347 K(o=-0.35,f=-1.2) USER MOD Single : A 70 THR OG1 : rot -47:sc= 0.748 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0232 K(o=-0.023,f=-0.94) USER MOD Single : A 78 MET CE :methyl -125:sc= -1.52 (180deg=-3.69!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0362 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.485 -6.434 7.271 1.00 0.00 N ATOM 2 CA MET A 1 16.914 -6.143 7.298 1.00 0.00 C ATOM 3 C MET A 1 17.395 -5.659 5.934 1.00 0.00 C ATOM 4 O MET A 1 18.329 -4.863 5.842 1.00 0.00 O ATOM 5 CB MET A 1 17.702 -7.385 7.718 1.00 0.00 C ATOM 6 CG MET A 1 17.714 -8.482 6.666 1.00 0.00 C ATOM 7 SD MET A 1 18.782 -9.864 7.116 1.00 0.00 S ATOM 8 CE MET A 1 17.672 -10.830 8.137 1.00 0.00 C ATOM 0 H1 MET A 1 15.142 -6.580 8.242 1.00 0.00 H new ATOM 0 H2 MET A 1 14.976 -5.636 6.841 1.00 0.00 H new ATOM 0 H3 MET A 1 15.316 -7.294 6.711 1.00 0.00 H new ATOM 0 HA MET A 1 17.084 -5.351 8.027 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.729 -7.095 7.941 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.276 -7.781 8.639 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.698 -8.847 6.516 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.047 -8.065 5.716 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.188 -11.722 8.493 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.349 -10.233 8.990 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.802 -11.125 7.550 1.00 0.00 H new ATOM 18 N ALA A 2 16.752 -6.145 4.877 1.00 0.00 N ATOM 19 CA ALA A 2 17.115 -5.761 3.519 1.00 0.00 C ATOM 20 C ALA A 2 16.300 -4.559 3.053 1.00 0.00 C ATOM 21 O ALA A 2 15.073 -4.553 3.150 1.00 0.00 O ATOM 22 CB ALA A 2 16.920 -6.933 2.569 1.00 0.00 C ATOM 0 H ALA A 2 15.977 -6.806 4.936 1.00 0.00 H new ATOM 0 HA ALA A 2 18.167 -5.477 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.195 -6.632 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.550 -7.765 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.875 -7.243 2.584 1.00 0.00 H new ATOM 28 N ASP A 3 16.990 -3.542 2.548 1.00 0.00 N ATOM 29 CA ASP A 3 16.331 -2.334 2.067 1.00 0.00 C ATOM 30 C ASP A 3 15.624 -2.592 0.740 1.00 0.00 C ATOM 31 O ASP A 3 15.688 -3.695 0.197 1.00 0.00 O ATOM 32 CB ASP A 3 17.347 -1.202 1.906 1.00 0.00 C ATOM 33 CG ASP A 3 17.810 -0.646 3.238 1.00 0.00 C ATOM 34 OD1 ASP A 3 18.053 -1.449 4.163 1.00 0.00 O ATOM 35 OD2 ASP A 3 17.928 0.592 3.356 1.00 0.00 O ATOM 0 H ASP A 3 18.006 -3.531 2.461 1.00 0.00 H new ATOM 0 HA ASP A 3 15.585 -2.039 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 3 18.209 -1.568 1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 3 16.903 -0.400 1.316 1.00 0.00 H new ATOM 40 N GLU A 4 14.951 -1.569 0.224 1.00 0.00 N ATOM 41 CA GLU A 4 14.231 -1.687 -1.038 1.00 0.00 C ATOM 42 C GLU A 4 14.917 -0.876 -2.134 1.00 0.00 C ATOM 43 O GLU A 4 15.933 -0.223 -1.895 1.00 0.00 O ATOM 44 CB GLU A 4 12.784 -1.218 -0.872 1.00 0.00 C ATOM 45 CG GLU A 4 11.827 -2.328 -0.472 1.00 0.00 C ATOM 46 CD GLU A 4 10.421 -2.102 -0.994 1.00 0.00 C ATOM 47 OE1 GLU A 4 10.049 -0.929 -1.208 1.00 0.00 O ATOM 48 OE2 GLU A 4 9.693 -3.098 -1.190 1.00 0.00 O ATOM 0 H GLU A 4 14.889 -0.649 0.660 1.00 0.00 H new ATOM 0 HA GLU A 4 14.234 -2.737 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.750 -0.431 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.444 -0.777 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.202 -3.279 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.799 -2.405 0.615 1.00 0.00 H new ATOM 55 N LYS A 5 14.355 -0.923 -3.337 1.00 0.00 N ATOM 56 CA LYS A 5 14.910 -0.194 -4.471 1.00 0.00 C ATOM 57 C LYS A 5 13.852 0.028 -5.546 1.00 0.00 C ATOM 58 O LYS A 5 13.854 -0.617 -6.595 1.00 0.00 O ATOM 59 CB LYS A 5 16.100 -0.955 -5.060 1.00 0.00 C ATOM 60 CG LYS A 5 17.150 -0.052 -5.685 1.00 0.00 C ATOM 61 CD LYS A 5 16.906 0.139 -7.173 1.00 0.00 C ATOM 62 CE LYS A 5 17.423 -1.044 -7.978 1.00 0.00 C ATOM 63 NZ LYS A 5 16.366 -2.069 -8.199 1.00 0.00 N ATOM 0 H LYS A 5 13.514 -1.459 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 5 15.249 0.779 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.565 -1.550 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.737 -1.653 -5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.141 0.917 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.140 -0.481 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.839 0.266 -7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.397 1.052 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.796 -0.693 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.266 -1.498 -7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.363 -2.354 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.558 -2.899 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.438 -1.670 -7.950 1.00 0.00 H new ATOM 77 N PRO A 6 12.925 0.961 -5.283 1.00 0.00 N ATOM 78 CA PRO A 6 11.845 1.290 -6.218 1.00 0.00 C ATOM 79 C PRO A 6 12.355 2.007 -7.464 1.00 0.00 C ATOM 80 O PRO A 6 13.429 2.608 -7.452 1.00 0.00 O ATOM 81 CB PRO A 6 10.940 2.216 -5.402 1.00 0.00 C ATOM 82 CG PRO A 6 11.839 2.821 -4.380 1.00 0.00 C ATOM 83 CD PRO A 6 12.862 1.768 -4.053 1.00 0.00 C ATOM 0 HA PRO A 6 11.342 0.397 -6.590 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.485 2.981 -6.032 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.126 1.662 -4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.316 3.722 -4.765 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.279 3.111 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.829 2.209 -3.811 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.561 1.168 -3.194 1.00 0.00 H new ATOM 91 N LYS A 7 11.577 1.940 -8.539 1.00 0.00 N ATOM 92 CA LYS A 7 11.948 2.583 -9.794 1.00 0.00 C ATOM 93 C LYS A 7 11.414 4.011 -9.852 1.00 0.00 C ATOM 94 O LYS A 7 12.087 4.915 -10.345 1.00 0.00 O ATOM 95 CB LYS A 7 11.414 1.779 -10.981 1.00 0.00 C ATOM 96 CG LYS A 7 11.902 0.340 -11.010 1.00 0.00 C ATOM 97 CD LYS A 7 10.886 -0.580 -11.665 1.00 0.00 C ATOM 98 CE LYS A 7 11.551 -1.812 -12.259 1.00 0.00 C ATOM 99 NZ LYS A 7 10.695 -2.462 -13.291 1.00 0.00 N ATOM 0 H LYS A 7 10.685 1.446 -8.566 1.00 0.00 H new ATOM 0 HA LYS A 7 13.036 2.618 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.324 1.784 -10.952 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.710 2.273 -11.906 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.846 0.286 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.099 0.001 -9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.143 -0.886 -10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.355 -0.039 -12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.506 -1.531 -12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.768 -2.526 -11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.184 -3.298 -13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.794 -2.754 -12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.509 -1.789 -14.062 1.00 0.00 H new ATOM 113 N GLU A 8 10.201 4.205 -9.344 1.00 0.00 N ATOM 114 CA GLU A 8 9.578 5.523 -9.338 1.00 0.00 C ATOM 115 C GLU A 8 10.177 6.403 -8.245 1.00 0.00 C ATOM 116 O GLU A 8 9.527 6.694 -7.241 1.00 0.00 O ATOM 117 CB GLU A 8 8.066 5.397 -9.135 1.00 0.00 C ATOM 118 CG GLU A 8 7.300 5.127 -10.419 1.00 0.00 C ATOM 119 CD GLU A 8 7.119 6.373 -11.263 1.00 0.00 C ATOM 120 OE1 GLU A 8 8.067 7.183 -11.336 1.00 0.00 O ATOM 121 OE2 GLU A 8 6.029 6.540 -11.850 1.00 0.00 O ATOM 0 H GLU A 8 9.631 3.467 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 8 9.770 5.991 -10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.869 4.591 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.691 6.316 -8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.829 4.372 -11.001 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.322 4.713 -10.174 1.00 0.00 H new ATOM 128 N GLY A 9 11.421 6.825 -8.448 1.00 0.00 N ATOM 129 CA GLY A 9 12.088 7.666 -7.472 1.00 0.00 C ATOM 130 C GLY A 9 12.251 9.095 -7.953 1.00 0.00 C ATOM 131 O GLY A 9 12.468 10.006 -7.154 1.00 0.00 O ATOM 0 H GLY A 9 11.979 6.599 -9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.518 7.661 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.069 7.248 -7.246 1.00 0.00 H new ATOM 135 N VAL A 10 12.149 9.291 -9.264 1.00 0.00 N ATOM 136 CA VAL A 10 12.287 10.619 -9.851 1.00 0.00 C ATOM 137 C VAL A 10 11.203 10.874 -10.892 1.00 0.00 C ATOM 138 O VAL A 10 10.908 10.014 -11.722 1.00 0.00 O ATOM 139 CB VAL A 10 13.668 10.801 -10.507 1.00 0.00 C ATOM 140 CG1 VAL A 10 13.783 12.182 -11.135 1.00 0.00 C ATOM 141 CG2 VAL A 10 14.775 10.576 -9.489 1.00 0.00 C ATOM 0 H VAL A 10 11.971 8.548 -9.939 1.00 0.00 H new ATOM 0 HA VAL A 10 12.182 11.338 -9.038 1.00 0.00 H new ATOM 0 HB VAL A 10 13.776 10.058 -11.297 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.766 12.292 -11.594 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.012 12.301 -11.896 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.654 12.943 -10.366 1.00 0.00 H new ATOM 0 HG21 VAL A 10 15.744 10.709 -9.970 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.672 11.294 -8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 10 14.703 9.564 -9.091 1.00 0.00 H new ATOM 151 N LYS A 11 10.613 12.064 -10.844 1.00 0.00 N ATOM 152 CA LYS A 11 9.562 12.436 -11.784 1.00 0.00 C ATOM 153 C LYS A 11 9.403 13.951 -11.850 1.00 0.00 C ATOM 154 O LYS A 11 9.757 14.665 -10.912 1.00 0.00 O ATOM 155 CB LYS A 11 8.235 11.790 -11.380 1.00 0.00 C ATOM 156 CG LYS A 11 7.361 11.404 -12.561 1.00 0.00 C ATOM 157 CD LYS A 11 7.938 10.221 -13.319 1.00 0.00 C ATOM 158 CE LYS A 11 7.080 9.857 -14.521 1.00 0.00 C ATOM 159 NZ LYS A 11 7.221 8.421 -14.888 1.00 0.00 N ATOM 0 H LYS A 11 10.845 12.788 -10.164 1.00 0.00 H new ATOM 0 HA LYS A 11 9.848 12.075 -12.772 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.440 10.900 -10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.684 12.481 -10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.359 11.158 -12.208 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.261 12.255 -13.235 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.949 10.458 -13.651 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.015 9.362 -12.652 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.035 10.075 -14.301 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.363 10.479 -15.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.621 8.213 -15.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.214 8.219 -15.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.927 7.827 -14.086 1.00 0.00 H new ATOM 173 N THR A 12 8.865 14.437 -12.965 1.00 0.00 N ATOM 174 CA THR A 12 8.659 15.868 -13.153 1.00 0.00 C ATOM 175 C THR A 12 7.190 16.181 -13.414 1.00 0.00 C ATOM 176 O THR A 12 6.641 15.809 -14.450 1.00 0.00 O ATOM 177 CB THR A 12 9.502 16.408 -14.323 1.00 0.00 C ATOM 178 OG1 THR A 12 9.257 15.634 -15.503 1.00 0.00 O ATOM 179 CG2 THR A 12 10.985 16.369 -13.985 1.00 0.00 C ATOM 0 H THR A 12 8.564 13.861 -13.751 1.00 0.00 H new ATOM 0 HA THR A 12 8.975 16.357 -12.231 1.00 0.00 H new ATOM 0 HB THR A 12 9.213 17.444 -14.502 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.293 15.489 -15.605 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.560 16.755 -14.826 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.174 16.983 -13.104 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.285 15.341 -13.782 1.00 0.00 H new ATOM 187 N GLU A 13 6.559 16.868 -12.466 1.00 0.00 N ATOM 188 CA GLU A 13 5.153 17.231 -12.595 1.00 0.00 C ATOM 189 C GLU A 13 4.704 18.093 -11.418 1.00 0.00 C ATOM 190 O GLU A 13 5.417 18.227 -10.425 1.00 0.00 O ATOM 191 CB GLU A 13 4.284 15.974 -12.681 1.00 0.00 C ATOM 192 CG GLU A 13 3.144 16.090 -13.678 1.00 0.00 C ATOM 193 CD GLU A 13 2.504 14.751 -13.990 1.00 0.00 C ATOM 194 OE1 GLU A 13 2.254 13.979 -13.041 1.00 0.00 O ATOM 195 OE2 GLU A 13 2.254 14.476 -15.182 1.00 0.00 O ATOM 0 H GLU A 13 6.999 17.184 -11.602 1.00 0.00 H new ATOM 0 HA GLU A 13 5.036 17.808 -13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.912 15.127 -12.957 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.873 15.759 -11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.387 16.767 -13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.517 16.534 -14.601 1.00 0.00 H new ATOM 202 N ASN A 14 3.515 18.676 -11.539 1.00 0.00 N ATOM 203 CA ASN A 14 2.971 19.527 -10.487 1.00 0.00 C ATOM 204 C ASN A 14 1.716 18.906 -9.881 1.00 0.00 C ATOM 205 O ASN A 14 0.600 19.352 -10.146 1.00 0.00 O ATOM 206 CB ASN A 14 2.650 20.916 -11.040 1.00 0.00 C ATOM 207 CG ASN A 14 2.375 20.895 -12.531 1.00 0.00 C ATOM 208 OD1 ASN A 14 1.222 20.847 -12.961 1.00 0.00 O ATOM 209 ND2 ASN A 14 3.436 20.931 -13.329 1.00 0.00 N ATOM 0 H ASN A 14 2.911 18.575 -12.354 1.00 0.00 H new ATOM 0 HA ASN A 14 3.724 19.621 -9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.782 21.320 -10.519 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.485 21.587 -10.837 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.313 20.919 -14.342 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.374 20.970 -12.929 1.00 0.00 H new ATOM 216 N ASN A 15 1.907 17.874 -9.065 1.00 0.00 N ATOM 217 CA ASN A 15 0.791 17.192 -8.421 1.00 0.00 C ATOM 218 C ASN A 15 1.069 16.974 -6.936 1.00 0.00 C ATOM 219 O ASN A 15 2.109 17.387 -6.423 1.00 0.00 O ATOM 220 CB ASN A 15 0.525 15.848 -9.103 1.00 0.00 C ATOM 221 CG ASN A 15 0.004 16.011 -10.518 1.00 0.00 C ATOM 222 OD1 ASN A 15 0.720 16.478 -11.405 1.00 0.00 O ATOM 223 ND2 ASN A 15 -1.248 15.627 -10.736 1.00 0.00 N ATOM 0 H ASN A 15 2.824 17.492 -8.834 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.092 17.823 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.446 15.265 -9.123 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.198 15.282 -8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.653 15.713 -11.668 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.805 15.245 -9.971 1.00 0.00 H new ATOM 230 N ASP A 16 0.134 16.324 -6.254 1.00 0.00 N ATOM 231 CA ASP A 16 0.278 16.050 -4.829 1.00 0.00 C ATOM 232 C ASP A 16 1.261 14.907 -4.592 1.00 0.00 C ATOM 233 O ASP A 16 1.619 14.180 -5.520 1.00 0.00 O ATOM 234 CB ASP A 16 -1.079 15.708 -4.213 1.00 0.00 C ATOM 235 CG ASP A 16 -1.846 16.942 -3.781 1.00 0.00 C ATOM 236 OD1 ASP A 16 -2.157 17.781 -4.652 1.00 0.00 O ATOM 237 OD2 ASP A 16 -2.135 17.069 -2.573 1.00 0.00 O ATOM 0 H ASP A 16 -0.733 15.977 -6.665 1.00 0.00 H new ATOM 0 HA ASP A 16 0.669 16.947 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.673 15.149 -4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.930 15.056 -3.352 1.00 0.00 H new ATOM 242 N HIS A 17 1.694 14.754 -3.345 1.00 0.00 N ATOM 243 CA HIS A 17 2.635 13.699 -2.986 1.00 0.00 C ATOM 244 C HIS A 17 2.609 13.435 -1.484 1.00 0.00 C ATOM 245 O HIS A 17 2.821 14.345 -0.681 1.00 0.00 O ATOM 246 CB HIS A 17 4.050 14.079 -3.425 1.00 0.00 C ATOM 247 CG HIS A 17 5.112 13.187 -2.859 1.00 0.00 C ATOM 248 ND1 HIS A 17 5.916 13.553 -1.799 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.500 11.939 -3.210 1.00 0.00 C ATOM 250 CE1 HIS A 17 6.752 12.568 -1.524 1.00 0.00 C ATOM 251 NE2 HIS A 17 6.520 11.577 -2.366 1.00 0.00 N ATOM 0 H HIS A 17 1.408 15.347 -2.566 1.00 0.00 H new ATOM 0 HA HIS A 17 2.335 12.787 -3.502 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.104 14.050 -4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.252 15.107 -3.123 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.872 14.444 -1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.084 11.339 -4.006 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.498 12.572 -0.743 1.00 0.00 H new ATOM 259 N ILE A 18 2.348 12.187 -1.112 1.00 0.00 N ATOM 260 CA ILE A 18 2.295 11.805 0.294 1.00 0.00 C ATOM 261 C ILE A 18 3.137 10.562 0.558 1.00 0.00 C ATOM 262 O ILE A 18 3.873 10.101 -0.314 1.00 0.00 O ATOM 263 CB ILE A 18 0.848 11.537 0.750 1.00 0.00 C ATOM 264 CG1 ILE A 18 0.362 10.189 0.213 1.00 0.00 C ATOM 265 CG2 ILE A 18 -0.069 12.659 0.288 1.00 0.00 C ATOM 266 CD1 ILE A 18 -1.072 9.875 0.577 1.00 0.00 C ATOM 0 H ILE A 18 2.170 11.423 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 18 2.698 12.642 0.864 1.00 0.00 H new ATOM 0 HB ILE A 18 0.827 11.502 1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.463 10.182 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.007 9.400 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.088 12.455 0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.268 13.604 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.046 12.723 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.348 8.905 0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.175 9.850 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.728 10.644 0.168 1.00 0.00 H new ATOM 278 N ASN A 19 3.024 10.022 1.767 1.00 0.00 N ATOM 279 CA ASN A 19 3.774 8.830 2.146 1.00 0.00 C ATOM 280 C ASN A 19 2.856 7.785 2.771 1.00 0.00 C ATOM 281 O ASN A 19 1.879 8.122 3.441 1.00 0.00 O ATOM 282 CB ASN A 19 4.891 9.196 3.126 1.00 0.00 C ATOM 283 CG ASN A 19 6.129 8.342 2.937 1.00 0.00 C ATOM 284 OD1 ASN A 19 6.032 7.069 3.305 1.00 0.00 O flip ATOM 285 ND2 ASN A 19 7.161 8.820 2.465 1.00 0.00 N flip ATOM 0 H ASN A 19 2.420 10.391 2.501 1.00 0.00 H new ATOM 0 HA ASN A 19 4.215 8.406 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.154 10.246 2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.527 9.082 4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.191 9.803 2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.986 8.233 2.343 1.00 0.00 H new ATOM 292 N LEU A 20 3.177 6.515 2.549 1.00 0.00 N ATOM 293 CA LEU A 20 2.382 5.419 3.091 1.00 0.00 C ATOM 294 C LEU A 20 3.268 4.232 3.456 1.00 0.00 C ATOM 295 O LEU A 20 4.191 3.883 2.720 1.00 0.00 O ATOM 296 CB LEU A 20 1.319 4.985 2.080 1.00 0.00 C ATOM 297 CG LEU A 20 -0.014 4.518 2.666 1.00 0.00 C ATOM 298 CD1 LEU A 20 0.176 3.245 3.477 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.632 5.612 3.524 1.00 0.00 C ATOM 0 H LEU A 20 3.982 6.219 1.997 1.00 0.00 H new ATOM 0 HA LEU A 20 1.890 5.773 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.124 5.820 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.730 4.177 1.475 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.695 4.302 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.783 2.928 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.574 2.460 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.874 3.434 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.580 5.262 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.046 5.860 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.805 6.499 2.914 1.00 0.00 H new ATOM 311 N LYS A 21 2.979 3.613 4.596 1.00 0.00 N ATOM 312 CA LYS A 21 3.747 2.462 5.058 1.00 0.00 C ATOM 313 C LYS A 21 2.835 1.266 5.311 1.00 0.00 C ATOM 314 O LYS A 21 2.135 1.209 6.322 1.00 0.00 O ATOM 315 CB LYS A 21 4.511 2.813 6.336 1.00 0.00 C ATOM 316 CG LYS A 21 5.608 3.843 6.125 1.00 0.00 C ATOM 317 CD LYS A 21 6.783 3.605 7.058 1.00 0.00 C ATOM 318 CE LYS A 21 7.565 4.885 7.308 1.00 0.00 C ATOM 319 NZ LYS A 21 8.929 4.608 7.837 1.00 0.00 N ATOM 0 H LYS A 21 2.218 3.889 5.217 1.00 0.00 H new ATOM 0 HA LYS A 21 4.460 2.195 4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.807 3.191 7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.951 1.905 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.950 3.805 5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.207 4.843 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.421 3.208 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.444 2.852 6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.644 5.450 6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.021 5.510 8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.429 5.506 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.854 4.091 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.457 4.033 7.150 1.00 0.00 H new ATOM 333 N VAL A 22 2.848 0.312 4.386 1.00 0.00 N ATOM 334 CA VAL A 22 2.024 -0.885 4.510 1.00 0.00 C ATOM 335 C VAL A 22 2.785 -2.006 5.208 1.00 0.00 C ATOM 336 O VAL A 22 3.685 -2.613 4.628 1.00 0.00 O ATOM 337 CB VAL A 22 1.546 -1.383 3.133 1.00 0.00 C ATOM 338 CG1 VAL A 22 0.484 -0.452 2.567 1.00 0.00 C ATOM 339 CG2 VAL A 22 2.721 -1.509 2.175 1.00 0.00 C ATOM 0 H VAL A 22 3.420 0.344 3.542 1.00 0.00 H new ATOM 0 HA VAL A 22 1.156 -0.611 5.110 1.00 0.00 H new ATOM 0 HB VAL A 22 1.101 -2.370 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.159 -0.820 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.368 -0.417 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.900 0.549 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.365 -1.862 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.197 -0.536 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.444 -2.219 2.577 1.00 0.00 H new ATOM 349 N ALA A 23 2.417 -2.276 6.456 1.00 0.00 N ATOM 350 CA ALA A 23 3.063 -3.327 7.233 1.00 0.00 C ATOM 351 C ALA A 23 2.032 -4.225 7.906 1.00 0.00 C ATOM 352 O ALA A 23 1.119 -3.745 8.576 1.00 0.00 O ATOM 353 CB ALA A 23 3.995 -2.719 8.271 1.00 0.00 C ATOM 0 H ALA A 23 1.675 -1.781 6.951 1.00 0.00 H new ATOM 0 HA ALA A 23 3.650 -3.941 6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.470 -3.515 8.844 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.760 -2.126 7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.423 -2.080 8.944 1.00 0.00 H new ATOM 359 N GLY A 24 2.183 -5.534 7.723 1.00 0.00 N ATOM 360 CA GLY A 24 1.257 -6.478 8.319 1.00 0.00 C ATOM 361 C GLY A 24 1.626 -6.832 9.746 1.00 0.00 C ATOM 362 O GLY A 24 2.806 -6.946 10.077 1.00 0.00 O ATOM 0 H GLY A 24 2.930 -5.957 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.252 -6.057 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.232 -7.387 7.718 1.00 0.00 H new ATOM 366 N GLN A 25 0.616 -7.003 10.592 1.00 0.00 N ATOM 367 CA GLN A 25 0.842 -7.343 11.992 1.00 0.00 C ATOM 368 C GLN A 25 1.604 -8.658 12.117 1.00 0.00 C ATOM 369 O GLN A 25 2.186 -8.953 13.161 1.00 0.00 O ATOM 370 CB GLN A 25 -0.490 -7.439 12.737 1.00 0.00 C ATOM 371 CG GLN A 25 -0.362 -7.998 14.145 1.00 0.00 C ATOM 372 CD GLN A 25 -0.460 -9.510 14.183 1.00 0.00 C ATOM 373 OE1 GLN A 25 -1.090 -10.125 13.323 1.00 0.00 O ATOM 374 NE2 GLN A 25 0.166 -10.119 15.184 1.00 0.00 N ATOM 0 H GLN A 25 -0.366 -6.912 10.333 1.00 0.00 H new ATOM 0 HA GLN A 25 1.444 -6.552 12.439 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.940 -6.448 12.788 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.172 -8.069 12.166 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.593 -7.689 14.569 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.143 -7.571 14.774 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.677 -9.570 15.875 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.136 -11.136 15.261 1.00 0.00 H new ATOM 383 N ASP A 26 1.595 -9.445 11.047 1.00 0.00 N ATOM 384 CA ASP A 26 2.286 -10.729 11.036 1.00 0.00 C ATOM 385 C ASP A 26 3.783 -10.539 10.818 1.00 0.00 C ATOM 386 O ASP A 26 4.580 -10.693 11.742 1.00 0.00 O ATOM 387 CB ASP A 26 1.710 -11.633 9.945 1.00 0.00 C ATOM 388 CG ASP A 26 0.249 -11.964 10.179 1.00 0.00 C ATOM 389 OD1 ASP A 26 -0.616 -11.204 9.697 1.00 0.00 O ATOM 390 OD2 ASP A 26 -0.029 -12.984 10.845 1.00 0.00 O ATOM 0 H ASP A 26 1.117 -9.216 10.176 1.00 0.00 H new ATOM 0 HA ASP A 26 2.136 -11.202 12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.818 -11.144 8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.286 -12.557 9.901 1.00 0.00 H new ATOM 395 N GLY A 27 4.159 -10.204 9.587 1.00 0.00 N ATOM 396 CA GLY A 27 5.561 -9.999 9.269 1.00 0.00 C ATOM 397 C GLY A 27 5.758 -9.312 7.933 1.00 0.00 C ATOM 398 O GLY A 27 6.470 -9.818 7.066 1.00 0.00 O ATOM 0 H GLY A 27 3.518 -10.071 8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.025 -9.401 10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.072 -10.962 9.258 1.00 0.00 H new ATOM 402 N SER A 28 5.123 -8.156 7.764 1.00 0.00 N ATOM 403 CA SER A 28 5.228 -7.401 6.521 1.00 0.00 C ATOM 404 C SER A 28 5.455 -5.919 6.804 1.00 0.00 C ATOM 405 O SER A 28 5.022 -5.397 7.831 1.00 0.00 O ATOM 406 CB SER A 28 3.963 -7.584 5.681 1.00 0.00 C ATOM 407 OG SER A 28 3.766 -6.483 4.810 1.00 0.00 O ATOM 0 H SER A 28 4.531 -7.722 8.472 1.00 0.00 H new ATOM 0 HA SER A 28 6.084 -7.782 5.964 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.038 -8.503 5.100 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.099 -7.692 6.337 1.00 0.00 H new ATOM 0 HG SER A 28 3.254 -6.773 4.026 1.00 0.00 H new ATOM 413 N VAL A 29 6.137 -5.245 5.883 1.00 0.00 N ATOM 414 CA VAL A 29 6.421 -3.822 6.030 1.00 0.00 C ATOM 415 C VAL A 29 7.061 -3.256 4.768 1.00 0.00 C ATOM 416 O VAL A 29 8.164 -3.648 4.388 1.00 0.00 O ATOM 417 CB VAL A 29 7.353 -3.558 7.228 1.00 0.00 C ATOM 418 CG1 VAL A 29 8.605 -4.416 7.130 1.00 0.00 C ATOM 419 CG2 VAL A 29 7.712 -2.082 7.306 1.00 0.00 C ATOM 0 H VAL A 29 6.503 -5.662 5.027 1.00 0.00 H new ATOM 0 HA VAL A 29 5.467 -3.324 6.204 1.00 0.00 H new ATOM 0 HB VAL A 29 6.827 -3.830 8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.251 -4.216 7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.325 -5.469 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.138 -4.179 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.371 -1.912 8.158 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.219 -1.782 6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.803 -1.492 7.427 1.00 0.00 H new ATOM 429 N VAL A 30 6.360 -2.330 4.121 1.00 0.00 N ATOM 430 CA VAL A 30 6.860 -1.707 2.901 1.00 0.00 C ATOM 431 C VAL A 30 6.429 -0.247 2.813 1.00 0.00 C ATOM 432 O VAL A 30 5.349 0.120 3.275 1.00 0.00 O ATOM 433 CB VAL A 30 6.367 -2.453 1.647 1.00 0.00 C ATOM 434 CG1 VAL A 30 6.992 -1.861 0.393 1.00 0.00 C ATOM 435 CG2 VAL A 30 6.676 -3.939 1.756 1.00 0.00 C ATOM 0 H VAL A 30 5.445 -1.995 4.421 1.00 0.00 H new ATOM 0 HA VAL A 30 7.948 -1.760 2.942 1.00 0.00 H new ATOM 0 HB VAL A 30 5.286 -2.334 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.632 -2.401 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.716 -0.810 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.077 -1.947 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.321 -4.451 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.752 -4.081 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.176 -4.351 2.633 1.00 0.00 H new ATOM 445 N GLN A 31 7.280 0.581 2.215 1.00 0.00 N ATOM 446 CA GLN A 31 6.987 2.001 2.067 1.00 0.00 C ATOM 447 C GLN A 31 6.774 2.363 0.600 1.00 0.00 C ATOM 448 O GLN A 31 7.354 1.744 -0.292 1.00 0.00 O ATOM 449 CB GLN A 31 8.122 2.842 2.652 1.00 0.00 C ATOM 450 CG GLN A 31 8.422 2.530 4.109 1.00 0.00 C ATOM 451 CD GLN A 31 9.909 2.472 4.400 1.00 0.00 C ATOM 452 OE1 GLN A 31 10.689 3.259 3.864 1.00 0.00 O ATOM 453 NE2 GLN A 31 10.309 1.536 5.253 1.00 0.00 N ATOM 0 H GLN A 31 8.177 0.293 1.825 1.00 0.00 H new ATOM 0 HA GLN A 31 6.068 2.215 2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.024 2.681 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.865 3.897 2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.961 3.289 4.741 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.967 1.576 4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.627 0.905 5.674 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.298 1.448 5.487 1.00 0.00 H new ATOM 462 N PHE A 32 5.939 3.368 0.359 1.00 0.00 N ATOM 463 CA PHE A 32 5.649 3.811 -1.000 1.00 0.00 C ATOM 464 C PHE A 32 5.313 5.299 -1.026 1.00 0.00 C ATOM 465 O PHE A 32 4.856 5.863 -0.032 1.00 0.00 O ATOM 466 CB PHE A 32 4.488 3.004 -1.585 1.00 0.00 C ATOM 467 CG PHE A 32 4.920 1.975 -2.591 1.00 0.00 C ATOM 468 CD1 PHE A 32 5.274 0.698 -2.187 1.00 0.00 C ATOM 469 CD2 PHE A 32 4.974 2.286 -3.940 1.00 0.00 C ATOM 470 CE1 PHE A 32 5.672 -0.251 -3.109 1.00 0.00 C ATOM 471 CE2 PHE A 32 5.370 1.341 -4.867 1.00 0.00 C ATOM 472 CZ PHE A 32 5.721 0.071 -4.451 1.00 0.00 C ATOM 0 H PHE A 32 5.451 3.891 1.086 1.00 0.00 H new ATOM 0 HA PHE A 32 6.539 3.647 -1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.957 2.507 -0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.782 3.688 -2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.238 0.441 -1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.704 3.278 -4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.944 -1.243 -2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.405 1.595 -5.916 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.033 -0.668 -5.174 1.00 0.00 H new ATOM 482 N LYS A 33 5.543 5.931 -2.172 1.00 0.00 N ATOM 483 CA LYS A 33 5.266 7.354 -2.332 1.00 0.00 C ATOM 484 C LYS A 33 4.370 7.601 -3.542 1.00 0.00 C ATOM 485 O LYS A 33 4.652 7.125 -4.642 1.00 0.00 O ATOM 486 CB LYS A 33 6.572 8.136 -2.482 1.00 0.00 C ATOM 487 CG LYS A 33 7.560 7.492 -3.440 1.00 0.00 C ATOM 488 CD LYS A 33 8.889 8.228 -3.449 1.00 0.00 C ATOM 489 CE LYS A 33 8.779 9.568 -4.161 1.00 0.00 C ATOM 490 NZ LYS A 33 9.045 9.443 -5.621 1.00 0.00 N ATOM 0 H LYS A 33 5.921 5.480 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 33 4.745 7.700 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.345 9.143 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.040 8.236 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.721 6.453 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.140 7.484 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.226 8.386 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.643 7.614 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.782 9.980 -4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.486 10.272 -3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.890 9.996 -5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.203 8.443 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.228 9.802 -6.155 1.00 0.00 H new ATOM 504 N ILE A 34 3.293 8.349 -3.331 1.00 0.00 N ATOM 505 CA ILE A 34 2.359 8.661 -4.406 1.00 0.00 C ATOM 506 C ILE A 34 1.516 9.885 -4.064 1.00 0.00 C ATOM 507 O ILE A 34 1.456 10.309 -2.909 1.00 0.00 O ATOM 508 CB ILE A 34 1.423 7.474 -4.701 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.854 7.585 -6.118 1.00 0.00 C ATOM 510 CG2 ILE A 34 0.300 7.417 -3.677 1.00 0.00 C ATOM 511 CD1 ILE A 34 0.769 6.258 -6.840 1.00 0.00 C ATOM 0 H ILE A 34 3.045 8.750 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 34 2.957 8.871 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 34 1.998 6.551 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.141 8.027 -6.068 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.476 8.266 -6.698 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.353 6.573 -3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.723 7.296 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.276 8.341 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.357 6.412 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.765 5.824 -6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.123 5.581 -6.281 1.00 0.00 H new ATOM 523 N LYS A 35 0.863 10.449 -5.075 1.00 0.00 N ATOM 524 CA LYS A 35 0.020 11.623 -4.882 1.00 0.00 C ATOM 525 C LYS A 35 -1.121 11.320 -3.916 1.00 0.00 C ATOM 526 O LYS A 35 -1.192 10.231 -3.346 1.00 0.00 O ATOM 527 CB LYS A 35 -0.545 12.096 -6.223 1.00 0.00 C ATOM 528 CG LYS A 35 -1.307 11.020 -6.976 1.00 0.00 C ATOM 529 CD LYS A 35 -1.061 11.106 -8.473 1.00 0.00 C ATOM 530 CE LYS A 35 -1.006 9.725 -9.109 1.00 0.00 C ATOM 531 NZ LYS A 35 -0.360 9.757 -10.450 1.00 0.00 N ATOM 0 H LYS A 35 0.902 10.112 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 35 0.635 12.415 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.207 12.944 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.274 12.453 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.005 10.038 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.374 11.120 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.853 11.692 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.124 11.631 -8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.456 9.047 -8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.017 9.328 -9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.342 8.797 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.899 10.384 -11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.613 10.112 -10.358 1.00 0.00 H new ATOM 545 N ARG A 36 -2.013 12.290 -3.739 1.00 0.00 N ATOM 546 CA ARG A 36 -3.151 12.126 -2.843 1.00 0.00 C ATOM 547 C ARG A 36 -4.386 11.665 -3.611 1.00 0.00 C ATOM 548 O ARG A 36 -5.412 11.332 -3.016 1.00 0.00 O ATOM 549 CB ARG A 36 -3.449 13.440 -2.118 1.00 0.00 C ATOM 550 CG ARG A 36 -4.583 13.336 -1.111 1.00 0.00 C ATOM 551 CD ARG A 36 -4.577 14.509 -0.142 1.00 0.00 C ATOM 552 NE ARG A 36 -4.912 15.767 -0.804 1.00 0.00 N ATOM 553 CZ ARG A 36 -5.194 16.888 -0.150 1.00 0.00 C ATOM 554 NH1 ARG A 36 -5.180 16.908 1.175 1.00 0.00 N ATOM 555 NH2 ARG A 36 -5.490 17.993 -0.823 1.00 0.00 N ATOM 0 H ARG A 36 -1.969 13.197 -4.204 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.896 11.363 -2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.548 13.774 -1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.698 14.204 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.537 13.303 -1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.493 12.403 -0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.290 14.320 0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.593 14.593 0.320 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.930 15.786 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.952 16.061 1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.397 17.771 1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.501 17.981 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.707 18.854 -0.320 1.00 0.00 H new ATOM 569 N HIS A 37 -4.281 11.648 -4.936 1.00 0.00 N ATOM 570 CA HIS A 37 -5.389 11.227 -5.785 1.00 0.00 C ATOM 571 C HIS A 37 -4.980 10.053 -6.670 1.00 0.00 C ATOM 572 O HIS A 37 -5.091 10.116 -7.895 1.00 0.00 O ATOM 573 CB HIS A 37 -5.865 12.393 -6.653 1.00 0.00 C ATOM 574 CG HIS A 37 -4.761 13.071 -7.404 1.00 0.00 C ATOM 575 ND1 HIS A 37 -3.779 13.899 -6.978 1.00 0.00 N flip ATOM 576 CD2 HIS A 37 -4.578 12.930 -8.764 1.00 0.00 C flip ATOM 577 CE1 HIS A 37 -3.028 14.239 -8.076 1.00 0.00 C flip ATOM 578 NE2 HIS A 37 -3.531 13.641 -9.141 1.00 0.00 N flip ATOM 0 H HIS A 37 -3.440 11.921 -5.445 1.00 0.00 H new ATOM 0 HA HIS A 37 -6.207 10.906 -5.140 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.606 12.027 -7.364 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.366 13.126 -6.020 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -5.195 12.332 -9.418 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.166 14.890 -8.070 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.172 13.716 -10.093 1.00 0.00 H new ATOM 586 N THR A 38 -4.506 8.982 -6.041 1.00 0.00 N ATOM 587 CA THR A 38 -4.079 7.794 -6.771 1.00 0.00 C ATOM 588 C THR A 38 -4.978 6.604 -6.459 1.00 0.00 C ATOM 589 O THR A 38 -5.464 6.439 -5.340 1.00 0.00 O ATOM 590 CB THR A 38 -2.621 7.424 -6.436 1.00 0.00 C ATOM 591 OG1 THR A 38 -1.948 6.969 -7.616 1.00 0.00 O ATOM 592 CG2 THR A 38 -2.570 6.342 -5.368 1.00 0.00 C ATOM 0 H THR A 38 -4.408 8.913 -5.028 1.00 0.00 H new ATOM 0 HA THR A 38 -4.152 8.031 -7.832 1.00 0.00 H new ATOM 0 HB THR A 38 -2.121 8.314 -6.054 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.818 5.999 -7.565 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.531 6.097 -5.148 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.058 6.702 -4.462 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.084 5.451 -5.728 1.00 0.00 H new ATOM 600 N PRO A 39 -5.207 5.753 -7.470 1.00 0.00 N ATOM 601 CA PRO A 39 -6.049 4.562 -7.327 1.00 0.00 C ATOM 602 C PRO A 39 -5.402 3.497 -6.448 1.00 0.00 C ATOM 603 O PRO A 39 -4.252 3.114 -6.664 1.00 0.00 O ATOM 604 CB PRO A 39 -6.192 4.054 -8.764 1.00 0.00 C ATOM 605 CG PRO A 39 -4.983 4.565 -9.468 1.00 0.00 C ATOM 606 CD PRO A 39 -4.660 5.888 -8.831 1.00 0.00 C ATOM 0 HA PRO A 39 -6.999 4.790 -6.844 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.239 2.965 -8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.106 4.426 -9.226 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.150 3.870 -9.367 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.173 4.682 -10.535 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.586 6.075 -8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.121 6.716 -9.369 1.00 0.00 H new ATOM 614 N LEU A 40 -6.148 3.022 -5.456 1.00 0.00 N ATOM 615 CA LEU A 40 -5.647 2.000 -4.543 1.00 0.00 C ATOM 616 C LEU A 40 -5.067 0.819 -5.314 1.00 0.00 C ATOM 617 O LEU A 40 -4.173 0.127 -4.828 1.00 0.00 O ATOM 618 CB LEU A 40 -6.768 1.520 -3.620 1.00 0.00 C ATOM 619 CG LEU A 40 -6.993 2.344 -2.352 1.00 0.00 C ATOM 620 CD1 LEU A 40 -8.398 2.123 -1.814 1.00 0.00 C ATOM 621 CD2 LEU A 40 -5.954 1.993 -1.297 1.00 0.00 C ATOM 0 H LEU A 40 -7.102 3.328 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.853 2.442 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.698 1.504 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.556 0.492 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.885 3.399 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.540 2.718 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.127 2.425 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.536 1.068 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.129 2.589 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.030 0.934 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.957 2.204 -1.684 1.00 0.00 H new ATOM 633 N SER A 41 -5.579 0.597 -6.520 1.00 0.00 N ATOM 634 CA SER A 41 -5.112 -0.501 -7.359 1.00 0.00 C ATOM 635 C SER A 41 -3.591 -0.493 -7.467 1.00 0.00 C ATOM 636 O SER A 41 -2.953 -1.546 -7.508 1.00 0.00 O ATOM 637 CB SER A 41 -5.735 -0.407 -8.753 1.00 0.00 C ATOM 638 OG SER A 41 -5.124 0.620 -9.515 1.00 0.00 O ATOM 0 H SER A 41 -6.317 1.163 -6.938 1.00 0.00 H new ATOM 0 HA SER A 41 -5.421 -1.437 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.626 -1.361 -9.269 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.804 -0.212 -8.665 1.00 0.00 H new ATOM 0 HG SER A 41 -5.538 0.659 -10.402 1.00 0.00 H new ATOM 644 N LYS A 42 -3.013 0.703 -7.513 1.00 0.00 N ATOM 645 CA LYS A 42 -1.567 0.851 -7.615 1.00 0.00 C ATOM 646 C LYS A 42 -0.857 0.011 -6.557 1.00 0.00 C ATOM 647 O LYS A 42 0.213 -0.544 -6.806 1.00 0.00 O ATOM 648 CB LYS A 42 -1.172 2.322 -7.463 1.00 0.00 C ATOM 649 CG LYS A 42 -1.383 2.866 -6.060 1.00 0.00 C ATOM 650 CD LYS A 42 -0.139 2.699 -5.204 1.00 0.00 C ATOM 651 CE LYS A 42 0.159 3.956 -4.402 1.00 0.00 C ATOM 652 NZ LYS A 42 0.654 3.638 -3.035 1.00 0.00 N ATOM 0 H LYS A 42 -3.525 1.584 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.260 0.498 -8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.123 2.438 -7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.751 2.920 -8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.649 3.922 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.221 2.350 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.274 1.857 -4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.713 2.462 -5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.903 4.554 -4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.744 4.563 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.242 4.422 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.155 3.502 -2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.222 2.767 -3.065 1.00 0.00 H new ATOM 666 N LEU A 43 -1.461 -0.078 -5.377 1.00 0.00 N ATOM 667 CA LEU A 43 -0.888 -0.852 -4.281 1.00 0.00 C ATOM 668 C LEU A 43 -1.114 -2.346 -4.493 1.00 0.00 C ATOM 669 O LEU A 43 -0.186 -3.146 -4.382 1.00 0.00 O ATOM 670 CB LEU A 43 -1.498 -0.416 -2.949 1.00 0.00 C ATOM 671 CG LEU A 43 -0.585 -0.518 -1.726 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.089 -1.881 -1.676 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.455 0.593 -1.743 1.00 0.00 C ATOM 0 H LEU A 43 -2.347 0.376 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 43 0.186 -0.665 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.829 0.618 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.387 -1.019 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.195 -0.404 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.735 -1.936 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.671 -2.661 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.686 -2.025 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.096 0.505 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.061 0.510 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.046 1.561 -1.731 1.00 0.00 H new ATOM 685 N MET A 44 -2.354 -2.713 -4.800 1.00 0.00 N ATOM 686 CA MET A 44 -2.701 -4.111 -5.030 1.00 0.00 C ATOM 687 C MET A 44 -1.846 -4.707 -6.144 1.00 0.00 C ATOM 688 O MET A 44 -1.121 -5.679 -5.931 1.00 0.00 O ATOM 689 CB MET A 44 -4.184 -4.238 -5.386 1.00 0.00 C ATOM 690 CG MET A 44 -4.579 -5.628 -5.855 1.00 0.00 C ATOM 691 SD MET A 44 -6.366 -5.858 -5.919 1.00 0.00 S ATOM 692 CE MET A 44 -6.851 -4.466 -6.936 1.00 0.00 C ATOM 0 H MET A 44 -3.134 -2.063 -4.895 1.00 0.00 H new ATOM 0 HA MET A 44 -2.506 -4.664 -4.111 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.782 -3.974 -4.514 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.425 -3.518 -6.168 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.158 -5.807 -6.844 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.145 -6.370 -5.185 1.00 0.00 H new ATOM 0 HE1 MET A 44 -7.890 -4.585 -7.244 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.745 -3.544 -6.365 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.214 -4.421 -7.819 1.00 0.00 H new ATOM 702 N LYS A 45 -1.936 -4.119 -7.332 1.00 0.00 N ATOM 703 CA LYS A 45 -1.171 -4.591 -8.480 1.00 0.00 C ATOM 704 C LYS A 45 0.306 -4.738 -8.125 1.00 0.00 C ATOM 705 O LYS A 45 0.922 -5.766 -8.407 1.00 0.00 O ATOM 706 CB LYS A 45 -1.330 -3.626 -9.657 1.00 0.00 C ATOM 707 CG LYS A 45 -0.989 -4.245 -11.001 1.00 0.00 C ATOM 708 CD LYS A 45 -1.212 -3.264 -12.139 1.00 0.00 C ATOM 709 CE LYS A 45 -1.596 -3.979 -13.425 1.00 0.00 C ATOM 710 NZ LYS A 45 -1.632 -3.049 -14.588 1.00 0.00 N ATOM 0 H LYS A 45 -2.532 -3.314 -7.525 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.558 -5.569 -8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.358 -3.264 -9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.691 -2.758 -9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.051 -4.571 -10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.601 -5.133 -11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.997 -2.560 -11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.305 -2.682 -12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.883 -4.779 -13.622 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.573 -4.446 -13.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.898 -3.575 -15.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.331 -2.299 -14.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.693 -2.623 -14.721 1.00 0.00 H new ATOM 724 N ALA A 46 0.867 -3.706 -7.504 1.00 0.00 N ATOM 725 CA ALA A 46 2.269 -3.722 -7.108 1.00 0.00 C ATOM 726 C ALA A 46 2.554 -4.868 -6.144 1.00 0.00 C ATOM 727 O ALA A 46 3.496 -5.637 -6.338 1.00 0.00 O ATOM 728 CB ALA A 46 2.656 -2.392 -6.479 1.00 0.00 C ATOM 0 H ALA A 46 0.371 -2.848 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 46 2.871 -3.876 -8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.706 -2.419 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.500 -1.589 -7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.040 -2.213 -5.598 1.00 0.00 H new ATOM 734 N TYR A 47 1.735 -4.977 -5.104 1.00 0.00 N ATOM 735 CA TYR A 47 1.901 -6.028 -4.107 1.00 0.00 C ATOM 736 C TYR A 47 2.028 -7.395 -4.772 1.00 0.00 C ATOM 737 O TYR A 47 3.036 -8.083 -4.614 1.00 0.00 O ATOM 738 CB TYR A 47 0.720 -6.029 -3.135 1.00 0.00 C ATOM 739 CG TYR A 47 1.119 -6.275 -1.697 1.00 0.00 C ATOM 740 CD1 TYR A 47 2.044 -7.259 -1.371 1.00 0.00 C ATOM 741 CD2 TYR A 47 0.571 -5.522 -0.665 1.00 0.00 C ATOM 742 CE1 TYR A 47 2.410 -7.487 -0.059 1.00 0.00 C ATOM 743 CE2 TYR A 47 0.933 -5.743 0.650 1.00 0.00 C ATOM 744 CZ TYR A 47 1.852 -6.727 0.948 1.00 0.00 C ATOM 745 OH TYR A 47 2.216 -6.951 2.256 1.00 0.00 O ATOM 0 H TYR A 47 0.949 -4.350 -4.929 1.00 0.00 H new ATOM 0 HA TYR A 47 2.818 -5.827 -3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.205 -5.071 -3.201 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.008 -6.795 -3.442 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.484 -7.855 -2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.150 -4.751 -0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.130 -8.257 0.178 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.499 -5.148 1.440 1.00 0.00 H new ATOM 0 HH TYR A 47 1.733 -6.331 2.841 1.00 0.00 H new ATOM 755 N CYS A 48 0.998 -7.781 -5.517 1.00 0.00 N ATOM 756 CA CYS A 48 0.992 -9.066 -6.207 1.00 0.00 C ATOM 757 C CYS A 48 2.274 -9.256 -7.012 1.00 0.00 C ATOM 758 O CYS A 48 2.877 -10.328 -6.991 1.00 0.00 O ATOM 759 CB CYS A 48 -0.224 -9.167 -7.130 1.00 0.00 C ATOM 760 SG CYS A 48 -0.268 -10.673 -8.129 1.00 0.00 S ATOM 0 H CYS A 48 0.156 -7.222 -5.659 1.00 0.00 H new ATOM 0 HA CYS A 48 0.935 -9.854 -5.456 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.130 -9.117 -6.526 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.236 -8.303 -7.794 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.333 -10.668 -8.875 1.00 0.00 H new ATOM 766 N GLU A 49 2.682 -8.209 -7.722 1.00 0.00 N ATOM 767 CA GLU A 49 3.890 -8.262 -8.536 1.00 0.00 C ATOM 768 C GLU A 49 5.069 -8.794 -7.725 1.00 0.00 C ATOM 769 O GLU A 49 5.900 -9.544 -8.237 1.00 0.00 O ATOM 770 CB GLU A 49 4.222 -6.875 -9.088 1.00 0.00 C ATOM 771 CG GLU A 49 5.251 -6.895 -10.206 1.00 0.00 C ATOM 772 CD GLU A 49 4.638 -7.208 -11.558 1.00 0.00 C ATOM 773 OE1 GLU A 49 3.689 -6.501 -11.956 1.00 0.00 O ATOM 774 OE2 GLU A 49 5.108 -8.158 -12.217 1.00 0.00 O ATOM 0 H GLU A 49 2.194 -7.314 -7.750 1.00 0.00 H new ATOM 0 HA GLU A 49 3.707 -8.941 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.307 -6.411 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.592 -6.249 -8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.750 -5.927 -10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.016 -7.637 -9.977 1.00 0.00 H new ATOM 781 N ARG A 50 5.134 -8.399 -6.458 1.00 0.00 N ATOM 782 CA ARG A 50 6.211 -8.834 -5.576 1.00 0.00 C ATOM 783 C ARG A 50 5.856 -10.152 -4.894 1.00 0.00 C ATOM 784 O ARG A 50 6.516 -11.169 -5.107 1.00 0.00 O ATOM 785 CB ARG A 50 6.499 -7.763 -4.523 1.00 0.00 C ATOM 786 CG ARG A 50 7.967 -7.668 -4.137 1.00 0.00 C ATOM 787 CD ARG A 50 8.490 -8.993 -3.607 1.00 0.00 C ATOM 788 NE ARG A 50 9.918 -8.936 -3.304 1.00 0.00 N ATOM 789 CZ ARG A 50 10.672 -10.013 -3.111 1.00 0.00 C ATOM 790 NH1 ARG A 50 10.137 -11.224 -3.189 1.00 0.00 N ATOM 791 NH2 ARG A 50 11.964 -9.879 -2.840 1.00 0.00 N ATOM 0 H ARG A 50 4.454 -7.779 -6.019 1.00 0.00 H new ATOM 0 HA ARG A 50 7.104 -8.988 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.168 -6.796 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.910 -7.975 -3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.554 -7.365 -5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.096 -6.895 -3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.939 -9.266 -2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.307 -9.776 -4.343 1.00 0.00 H new ATOM 0 HE ARG A 50 10.360 -8.019 -3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.144 -11.330 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.718 -12.049 -3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.379 -8.949 -2.780 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.542 -10.706 -2.692 1.00 0.00 H new ATOM 805 N GLN A 51 4.811 -10.125 -4.073 1.00 0.00 N ATOM 806 CA GLN A 51 4.371 -11.317 -3.358 1.00 0.00 C ATOM 807 C GLN A 51 2.910 -11.627 -3.666 1.00 0.00 C ATOM 808 O GLN A 51 2.037 -11.461 -2.815 1.00 0.00 O ATOM 809 CB GLN A 51 4.559 -11.133 -1.852 1.00 0.00 C ATOM 810 CG GLN A 51 5.886 -10.492 -1.478 1.00 0.00 C ATOM 811 CD GLN A 51 5.778 -8.990 -1.300 1.00 0.00 C ATOM 812 OE1 GLN A 51 4.779 -8.378 -1.680 1.00 0.00 O ATOM 813 NE2 GLN A 51 6.808 -8.387 -0.719 1.00 0.00 N ATOM 0 H GLN A 51 4.254 -9.291 -3.887 1.00 0.00 H new ATOM 0 HA GLN A 51 4.980 -12.157 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.746 -10.518 -1.465 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.484 -12.105 -1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.253 -10.938 -0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.622 -10.711 -2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.616 -8.933 -0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.792 -7.378 -0.572 1.00 0.00 H new ATOM 822 N GLY A 52 2.650 -12.079 -4.890 1.00 0.00 N ATOM 823 CA GLY A 52 1.293 -12.404 -5.288 1.00 0.00 C ATOM 824 C GLY A 52 0.913 -13.830 -4.941 1.00 0.00 C ATOM 825 O GLY A 52 0.737 -14.667 -5.827 1.00 0.00 O ATOM 0 H GLY A 52 3.355 -12.226 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.600 -11.718 -4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.187 -12.254 -6.362 1.00 0.00 H new ATOM 829 N LEU A 53 0.789 -14.109 -3.648 1.00 0.00 N ATOM 830 CA LEU A 53 0.429 -15.445 -3.185 1.00 0.00 C ATOM 831 C LEU A 53 -1.085 -15.593 -3.074 1.00 0.00 C ATOM 832 O LEU A 53 -1.646 -16.628 -3.434 1.00 0.00 O ATOM 833 CB LEU A 53 1.082 -15.730 -1.832 1.00 0.00 C ATOM 834 CG LEU A 53 2.456 -15.099 -1.603 1.00 0.00 C ATOM 835 CD1 LEU A 53 2.335 -13.857 -0.734 1.00 0.00 C ATOM 836 CD2 LEU A 53 3.406 -16.105 -0.969 1.00 0.00 C ATOM 0 H LEU A 53 0.932 -13.428 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 53 0.793 -16.167 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.410 -15.384 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.177 -16.810 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 53 2.864 -14.803 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.323 -13.422 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.690 -13.130 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.906 -14.128 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.379 -15.639 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.003 -16.432 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.518 -16.966 -1.628 1.00 0.00 H new ATOM 848 N SER A 54 -1.741 -14.551 -2.574 1.00 0.00 N ATOM 849 CA SER A 54 -3.191 -14.565 -2.413 1.00 0.00 C ATOM 850 C SER A 54 -3.766 -13.159 -2.550 1.00 0.00 C ATOM 851 O SER A 54 -4.051 -12.494 -1.555 1.00 0.00 O ATOM 852 CB SER A 54 -3.568 -15.153 -1.052 1.00 0.00 C ATOM 853 OG SER A 54 -2.798 -14.571 -0.014 1.00 0.00 O ATOM 0 H SER A 54 -1.292 -13.686 -2.273 1.00 0.00 H new ATOM 0 HA SER A 54 -3.614 -15.189 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.628 -14.985 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.413 -16.232 -1.063 1.00 0.00 H new ATOM 0 HG SER A 54 -2.751 -13.601 -0.146 1.00 0.00 H new ATOM 859 N MET A 55 -3.935 -12.714 -3.791 1.00 0.00 N ATOM 860 CA MET A 55 -4.478 -11.388 -4.060 1.00 0.00 C ATOM 861 C MET A 55 -5.863 -11.232 -3.442 1.00 0.00 C ATOM 862 O MET A 55 -6.304 -10.119 -3.155 1.00 0.00 O ATOM 863 CB MET A 55 -4.548 -11.138 -5.568 1.00 0.00 C ATOM 864 CG MET A 55 -5.576 -12.002 -6.280 1.00 0.00 C ATOM 865 SD MET A 55 -5.621 -11.705 -8.057 1.00 0.00 S ATOM 866 CE MET A 55 -5.163 -13.320 -8.683 1.00 0.00 C ATOM 0 H MET A 55 -3.704 -13.252 -4.626 1.00 0.00 H new ATOM 0 HA MET A 55 -3.813 -10.652 -3.608 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.784 -10.088 -5.743 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.566 -11.322 -6.004 1.00 0.00 H new ATOM 0 HG2 MET A 55 -5.351 -13.053 -6.097 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.562 -11.809 -5.858 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.147 -13.297 -9.773 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.174 -13.587 -8.311 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.889 -14.060 -8.347 1.00 0.00 H new ATOM 876 N ARG A 56 -6.546 -12.354 -3.239 1.00 0.00 N ATOM 877 CA ARG A 56 -7.882 -12.342 -2.657 1.00 0.00 C ATOM 878 C ARG A 56 -7.815 -12.494 -1.140 1.00 0.00 C ATOM 879 O ARG A 56 -8.825 -12.760 -0.489 1.00 0.00 O ATOM 880 CB ARG A 56 -8.734 -13.462 -3.256 1.00 0.00 C ATOM 881 CG ARG A 56 -8.945 -13.332 -4.755 1.00 0.00 C ATOM 882 CD ARG A 56 -9.871 -12.172 -5.088 1.00 0.00 C ATOM 883 NE ARG A 56 -10.317 -12.210 -6.478 1.00 0.00 N ATOM 884 CZ ARG A 56 -11.268 -13.024 -6.923 1.00 0.00 C ATOM 885 NH1 ARG A 56 -11.870 -13.862 -6.092 1.00 0.00 N ATOM 886 NH2 ARG A 56 -11.619 -12.999 -8.203 1.00 0.00 N ATOM 0 H ARG A 56 -6.195 -13.284 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.343 -11.382 -2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.259 -14.420 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.705 -13.473 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.984 -13.185 -5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.365 -14.259 -5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.738 -12.199 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.356 -11.231 -4.898 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.874 -11.577 -7.144 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.604 -13.883 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.600 -14.486 -6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.158 -12.355 -8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.349 -13.624 -8.544 1.00 0.00 H new ATOM 900 N GLN A 57 -6.619 -12.324 -0.585 1.00 0.00 N ATOM 901 CA GLN A 57 -6.421 -12.444 0.854 1.00 0.00 C ATOM 902 C GLN A 57 -5.679 -11.231 1.405 1.00 0.00 C ATOM 903 O GLN A 57 -4.990 -11.322 2.421 1.00 0.00 O ATOM 904 CB GLN A 57 -5.645 -13.722 1.179 1.00 0.00 C ATOM 905 CG GLN A 57 -5.811 -14.186 2.617 1.00 0.00 C ATOM 906 CD GLN A 57 -5.774 -15.696 2.751 1.00 0.00 C ATOM 907 OE1 GLN A 57 -6.617 -16.292 3.422 1.00 0.00 O ATOM 908 NE2 GLN A 57 -4.794 -16.323 2.111 1.00 0.00 N ATOM 0 H GLN A 57 -5.773 -12.103 -1.110 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.402 -12.493 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.974 -14.517 0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.586 -13.555 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.020 -13.751 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.758 -13.813 3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.117 -15.789 1.566 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.718 -17.339 2.164 1.00 0.00 H new ATOM 917 N ILE A 58 -5.824 -10.097 0.727 1.00 0.00 N ATOM 918 CA ILE A 58 -5.168 -8.866 1.150 1.00 0.00 C ATOM 919 C ILE A 58 -6.188 -7.766 1.422 1.00 0.00 C ATOM 920 O ILE A 58 -6.792 -7.223 0.498 1.00 0.00 O ATOM 921 CB ILE A 58 -4.165 -8.371 0.091 1.00 0.00 C ATOM 922 CG1 ILE A 58 -3.223 -9.504 -0.321 1.00 0.00 C ATOM 923 CG2 ILE A 58 -3.375 -7.185 0.624 1.00 0.00 C ATOM 924 CD1 ILE A 58 -2.424 -10.073 0.830 1.00 0.00 C ATOM 0 H ILE A 58 -6.390 -10.005 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.630 -9.094 2.070 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.719 -8.047 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.807 -10.303 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.536 -9.136 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.670 -6.846 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.059 -6.374 0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.828 -7.484 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.778 -10.872 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.813 -9.286 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.104 -10.472 1.583 1.00 0.00 H new ATOM 936 N ARG A 59 -6.372 -7.440 2.698 1.00 0.00 N ATOM 937 CA ARG A 59 -7.318 -6.403 3.093 1.00 0.00 C ATOM 938 C ARG A 59 -6.613 -5.288 3.859 1.00 0.00 C ATOM 939 O ARG A 59 -6.016 -5.524 4.910 1.00 0.00 O ATOM 940 CB ARG A 59 -8.433 -7.001 3.952 1.00 0.00 C ATOM 941 CG ARG A 59 -9.704 -7.303 3.175 1.00 0.00 C ATOM 942 CD ARG A 59 -9.451 -8.307 2.061 1.00 0.00 C ATOM 943 NE ARG A 59 -10.343 -9.460 2.149 1.00 0.00 N ATOM 944 CZ ARG A 59 -10.141 -10.484 2.971 1.00 0.00 C ATOM 945 NH1 ARG A 59 -9.084 -10.498 3.771 1.00 0.00 N ATOM 946 NH2 ARG A 59 -10.998 -11.496 2.993 1.00 0.00 N ATOM 0 H ARG A 59 -5.879 -7.879 3.475 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.754 -5.979 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.072 -7.920 4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.667 -6.309 4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.462 -7.694 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.101 -6.380 2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.585 -7.818 1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.416 -8.645 2.106 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.166 -9.480 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.423 -9.721 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.932 -11.286 4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.812 -11.488 2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.843 -12.282 3.624 1.00 0.00 H new ATOM 960 N PHE A 60 -6.685 -4.073 3.326 1.00 0.00 N ATOM 961 CA PHE A 60 -6.053 -2.921 3.959 1.00 0.00 C ATOM 962 C PHE A 60 -6.956 -2.330 5.038 1.00 0.00 C ATOM 963 O PHE A 60 -8.103 -1.970 4.774 1.00 0.00 O ATOM 964 CB PHE A 60 -5.724 -1.854 2.913 1.00 0.00 C ATOM 965 CG PHE A 60 -4.593 -2.237 2.002 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.290 -2.277 2.473 1.00 0.00 C ATOM 967 CD2 PHE A 60 -4.832 -2.555 0.675 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.247 -2.629 1.637 1.00 0.00 C ATOM 969 CE2 PHE A 60 -3.792 -2.908 -0.165 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.498 -2.944 0.316 1.00 0.00 C ATOM 0 H PHE A 60 -7.175 -3.860 2.457 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.128 -3.258 4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.613 -1.658 2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.471 -0.924 3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.087 -2.030 3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.842 -2.527 0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.236 -2.658 2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.992 -3.156 -1.197 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.684 -3.218 -0.339 1.00 0.00 H new ATOM 980 N ARG A 61 -6.429 -2.235 6.254 1.00 0.00 N ATOM 981 CA ARG A 61 -7.187 -1.689 7.374 1.00 0.00 C ATOM 982 C ARG A 61 -6.315 -0.772 8.225 1.00 0.00 C ATOM 983 O ARG A 61 -5.133 -1.042 8.438 1.00 0.00 O ATOM 984 CB ARG A 61 -7.749 -2.821 8.237 1.00 0.00 C ATOM 985 CG ARG A 61 -8.870 -3.599 7.567 1.00 0.00 C ATOM 986 CD ARG A 61 -10.235 -3.052 7.954 1.00 0.00 C ATOM 987 NE ARG A 61 -11.256 -4.096 7.977 1.00 0.00 N ATOM 988 CZ ARG A 61 -12.402 -3.989 8.642 1.00 0.00 C ATOM 989 NH1 ARG A 61 -12.671 -2.890 9.333 1.00 0.00 N ATOM 990 NH2 ARG A 61 -13.281 -4.982 8.614 1.00 0.00 N ATOM 0 H ARG A 61 -5.481 -2.529 6.489 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.013 -1.104 6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.942 -3.509 8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.118 -2.403 9.174 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.751 -3.551 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.804 -4.650 7.849 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.173 -2.584 8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.527 -2.274 7.248 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.080 -4.954 7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.998 -2.124 9.355 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.551 -2.810 9.842 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.078 -5.828 8.082 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.160 -4.899 9.124 1.00 0.00 H new ATOM 1004 N PHE A 62 -6.906 0.316 8.710 1.00 0.00 N ATOM 1005 CA PHE A 62 -6.182 1.275 9.537 1.00 0.00 C ATOM 1006 C PHE A 62 -6.827 1.400 10.914 1.00 0.00 C ATOM 1007 O PHE A 62 -7.989 1.041 11.103 1.00 0.00 O ATOM 1008 CB PHE A 62 -6.144 2.643 8.853 1.00 0.00 C ATOM 1009 CG PHE A 62 -5.219 3.621 9.520 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -3.871 3.335 9.660 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -5.699 4.826 10.008 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -3.017 4.232 10.273 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -4.850 5.727 10.622 1.00 0.00 C ATOM 1014 CZ PHE A 62 -3.508 5.430 10.756 1.00 0.00 C ATOM 0 H PHE A 62 -7.884 0.555 8.545 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.162 0.912 9.664 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.836 2.513 7.816 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.151 3.060 8.837 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.483 2.399 9.285 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.748 5.063 9.907 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.968 3.997 10.374 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.236 6.663 10.997 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.844 6.132 11.237 1.00 0.00 H new ATOM 1024 N ASP A 63 -6.063 1.912 11.874 1.00 0.00 N ATOM 1025 CA ASP A 63 -6.559 2.086 13.234 1.00 0.00 C ATOM 1026 C ASP A 63 -7.488 3.292 13.324 1.00 0.00 C ATOM 1027 O ASP A 63 -7.233 4.230 14.079 1.00 0.00 O ATOM 1028 CB ASP A 63 -5.391 2.252 14.208 1.00 0.00 C ATOM 1029 CG ASP A 63 -5.844 2.291 15.654 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -6.758 1.518 16.011 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -5.284 3.094 16.429 1.00 0.00 O ATOM 0 H ASP A 63 -5.099 2.213 11.735 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.124 1.194 13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.689 1.429 14.072 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.854 3.171 13.974 1.00 0.00 H new ATOM 1036 N GLY A 64 -8.566 3.262 12.547 1.00 0.00 N ATOM 1037 CA GLY A 64 -9.516 4.359 12.553 1.00 0.00 C ATOM 1038 C GLY A 64 -10.748 4.064 11.721 1.00 0.00 C ATOM 1039 O GLY A 64 -11.848 4.508 12.051 1.00 0.00 O ATOM 0 H GLY A 64 -8.799 2.497 11.913 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.816 4.570 13.579 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.031 5.258 12.172 1.00 0.00 H new ATOM 1043 N GLN A 65 -10.564 3.314 10.639 1.00 0.00 N ATOM 1044 CA GLN A 65 -11.671 2.963 9.757 1.00 0.00 C ATOM 1045 C GLN A 65 -11.208 2.019 8.653 1.00 0.00 C ATOM 1046 O GLN A 65 -10.024 1.946 8.321 1.00 0.00 O ATOM 1047 CB GLN A 65 -12.281 4.224 9.143 1.00 0.00 C ATOM 1048 CG GLN A 65 -11.250 5.265 8.739 1.00 0.00 C ATOM 1049 CD GLN A 65 -11.859 6.424 7.974 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -12.436 6.240 6.902 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -11.733 7.626 8.523 1.00 0.00 N ATOM 0 H GLN A 65 -9.660 2.938 10.352 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.429 2.454 10.352 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.866 3.945 8.266 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.972 4.669 9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.754 5.645 9.632 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.483 4.792 8.125 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.247 7.732 9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.123 8.444 8.055 1.00 0.00 H new ATOM 1060 N PRO A 66 -12.161 1.277 8.069 1.00 0.00 N ATOM 1061 CA PRO A 66 -11.874 0.323 6.993 1.00 0.00 C ATOM 1062 C PRO A 66 -11.481 1.017 5.693 1.00 0.00 C ATOM 1063 O PRO A 66 -11.468 2.246 5.614 1.00 0.00 O ATOM 1064 CB PRO A 66 -13.198 -0.425 6.821 1.00 0.00 C ATOM 1065 CG PRO A 66 -14.237 0.525 7.308 1.00 0.00 C ATOM 1066 CD PRO A 66 -13.592 1.312 8.415 1.00 0.00 C ATOM 0 HA PRO A 66 -11.031 -0.324 7.235 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.367 -0.696 5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.207 -1.351 7.397 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.572 1.182 6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.116 -0.009 7.670 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.971 2.333 8.456 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.781 0.863 9.390 1.00 0.00 H new ATOM 1074 N ILE A 67 -11.162 0.223 4.677 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.770 0.762 3.381 1.00 0.00 C ATOM 1076 C ILE A 67 -11.442 0.001 2.243 1.00 0.00 C ATOM 1077 O ILE A 67 -11.413 -1.228 2.203 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.243 0.709 3.187 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.531 1.285 4.413 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -8.842 1.466 1.930 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -7.022 1.255 4.306 1.00 0.00 C ATOM 0 H ILE A 67 -11.167 -0.796 4.726 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.095 1.802 3.361 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.942 -0.332 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.856 2.315 4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.836 0.724 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.760 1.419 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.326 1.015 1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.153 2.507 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.585 1.679 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.686 0.225 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.707 1.840 3.442 1.00 0.00 H new ATOM 1093 N ASN A 68 -12.046 0.741 1.319 1.00 0.00 N ATOM 1094 CA ASN A 68 -12.725 0.136 0.179 1.00 0.00 C ATOM 1095 C ASN A 68 -11.779 0.007 -1.011 1.00 0.00 C ATOM 1096 O ASN A 68 -10.579 0.251 -0.892 1.00 0.00 O ATOM 1097 CB ASN A 68 -13.947 0.968 -0.214 1.00 0.00 C ATOM 1098 CG ASN A 68 -14.761 1.404 0.989 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -14.697 0.786 2.052 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -15.532 2.473 0.826 1.00 0.00 N ATOM 0 H ASN A 68 -12.079 1.760 1.337 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.052 -0.862 0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.621 1.849 -0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.579 0.386 -0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.103 2.813 1.600 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.553 2.954 -0.073 1.00 0.00 H new ATOM 1107 N GLU A 69 -12.330 -0.378 -2.159 1.00 0.00 N ATOM 1108 CA GLU A 69 -11.535 -0.539 -3.370 1.00 0.00 C ATOM 1109 C GLU A 69 -11.427 0.780 -4.130 1.00 0.00 C ATOM 1110 O GLU A 69 -10.376 1.109 -4.681 1.00 0.00 O ATOM 1111 CB GLU A 69 -12.151 -1.611 -4.272 1.00 0.00 C ATOM 1112 CG GLU A 69 -13.565 -1.288 -4.723 1.00 0.00 C ATOM 1113 CD GLU A 69 -14.186 -2.403 -5.542 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -13.480 -3.394 -5.824 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -15.376 -2.285 -5.901 1.00 0.00 O ATOM 0 H GLU A 69 -13.322 -0.584 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.533 -0.852 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.519 -1.741 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.157 -2.562 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.186 -1.096 -3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.554 -0.372 -5.313 1.00 0.00 H new ATOM 1122 N THR A 70 -12.523 1.532 -4.157 1.00 0.00 N ATOM 1123 CA THR A 70 -12.553 2.814 -4.850 1.00 0.00 C ATOM 1124 C THR A 70 -12.423 3.973 -3.868 1.00 0.00 C ATOM 1125 O THR A 70 -12.967 5.054 -4.094 1.00 0.00 O ATOM 1126 CB THR A 70 -13.853 2.984 -5.658 1.00 0.00 C ATOM 1127 OG1 THR A 70 -13.772 4.158 -6.475 1.00 0.00 O ATOM 1128 CG2 THR A 70 -15.057 3.087 -4.733 1.00 0.00 C ATOM 0 H THR A 70 -13.402 1.275 -3.707 1.00 0.00 H new ATOM 0 HA THR A 70 -11.704 2.824 -5.534 1.00 0.00 H new ATOM 0 HB THR A 70 -13.977 2.107 -6.293 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.442 4.908 -5.938 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.963 3.207 -5.327 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.133 2.180 -4.133 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.938 3.948 -4.075 1.00 0.00 H new ATOM 1136 N ASP A 71 -11.700 3.741 -2.778 1.00 0.00 N ATOM 1137 CA ASP A 71 -11.496 4.767 -1.762 1.00 0.00 C ATOM 1138 C ASP A 71 -10.128 5.423 -1.919 1.00 0.00 C ATOM 1139 O ASP A 71 -9.218 4.852 -2.519 1.00 0.00 O ATOM 1140 CB ASP A 71 -11.629 4.163 -0.364 1.00 0.00 C ATOM 1141 CG ASP A 71 -13.050 4.224 0.161 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -13.977 4.402 -0.656 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -13.235 4.092 1.389 1.00 0.00 O ATOM 0 H ASP A 71 -11.245 2.851 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.262 5.531 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.298 3.125 -0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.968 4.693 0.322 1.00 0.00 H new ATOM 1148 N THR A 72 -9.991 6.629 -1.376 1.00 0.00 N ATOM 1149 CA THR A 72 -8.735 7.365 -1.458 1.00 0.00 C ATOM 1150 C THR A 72 -8.287 7.841 -0.081 1.00 0.00 C ATOM 1151 O THR A 72 -9.093 8.035 0.829 1.00 0.00 O ATOM 1152 CB THR A 72 -8.857 8.582 -2.394 1.00 0.00 C ATOM 1153 OG1 THR A 72 -9.956 9.405 -1.988 1.00 0.00 O ATOM 1154 CG2 THR A 72 -9.055 8.138 -3.835 1.00 0.00 C ATOM 0 H THR A 72 -10.734 7.116 -0.875 1.00 0.00 H new ATOM 0 HA THR A 72 -7.992 6.678 -1.862 1.00 0.00 H new ATOM 0 HB THR A 72 -7.932 9.155 -2.330 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.025 10.177 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.139 9.014 -4.478 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.203 7.537 -4.151 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.966 7.544 -3.911 1.00 0.00 H new ATOM 1162 N PRO A 73 -6.969 8.034 0.079 1.00 0.00 N ATOM 1163 CA PRO A 73 -6.383 8.490 1.343 1.00 0.00 C ATOM 1164 C PRO A 73 -6.733 9.942 1.653 1.00 0.00 C ATOM 1165 O PRO A 73 -6.709 10.363 2.809 1.00 0.00 O ATOM 1166 CB PRO A 73 -4.878 8.341 1.111 1.00 0.00 C ATOM 1167 CG PRO A 73 -4.711 8.433 -0.366 1.00 0.00 C ATOM 1168 CD PRO A 73 -5.949 7.821 -0.962 1.00 0.00 C ATOM 0 HA PRO A 73 -6.755 7.920 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.319 9.125 1.622 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.511 7.388 1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.597 9.470 -0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.817 7.901 -0.692 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.225 8.304 -1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.810 6.762 -1.178 1.00 0.00 H new ATOM 1176 N ALA A 74 -7.058 10.703 0.612 1.00 0.00 N ATOM 1177 CA ALA A 74 -7.415 12.106 0.774 1.00 0.00 C ATOM 1178 C ALA A 74 -8.548 12.272 1.781 1.00 0.00 C ATOM 1179 O ALA A 74 -8.516 13.171 2.621 1.00 0.00 O ATOM 1180 CB ALA A 74 -7.805 12.710 -0.567 1.00 0.00 C ATOM 0 H ALA A 74 -7.081 10.370 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.543 12.635 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.069 13.759 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.966 12.634 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.660 12.170 -0.974 1.00 0.00 H new ATOM 1186 N GLN A 75 -9.547 11.401 1.689 1.00 0.00 N ATOM 1187 CA GLN A 75 -10.691 11.453 2.592 1.00 0.00 C ATOM 1188 C GLN A 75 -10.597 10.360 3.652 1.00 0.00 C ATOM 1189 O GLN A 75 -11.590 10.021 4.298 1.00 0.00 O ATOM 1190 CB GLN A 75 -11.995 11.306 1.806 1.00 0.00 C ATOM 1191 CG GLN A 75 -13.193 11.944 2.491 1.00 0.00 C ATOM 1192 CD GLN A 75 -13.363 13.406 2.128 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -12.469 14.021 1.545 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -14.514 13.972 2.472 1.00 0.00 N ATOM 0 H GLN A 75 -9.588 10.651 0.999 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.684 12.421 3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.868 11.755 0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.198 10.247 1.650 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.096 11.398 2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.080 11.853 3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.227 13.425 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.685 14.954 2.254 1.00 0.00 H new ATOM 1203 N LEU A 76 -9.399 9.814 3.827 1.00 0.00 N ATOM 1204 CA LEU A 76 -9.176 8.759 4.810 1.00 0.00 C ATOM 1205 C LEU A 76 -8.194 9.215 5.884 1.00 0.00 C ATOM 1206 O LEU A 76 -8.134 8.636 6.969 1.00 0.00 O ATOM 1207 CB LEU A 76 -8.649 7.498 4.123 1.00 0.00 C ATOM 1208 CG LEU A 76 -9.234 6.173 4.611 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -9.026 6.017 6.109 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -10.713 6.083 4.265 1.00 0.00 C ATOM 0 H LEU A 76 -8.567 10.084 3.302 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.129 8.533 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.840 7.584 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.567 7.464 4.252 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.713 5.360 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.449 5.068 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.959 6.036 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.520 6.835 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.113 5.133 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.249 6.903 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.838 6.148 3.184 1.00 0.00 H new ATOM 1222 N GLU A 77 -7.428 10.257 5.576 1.00 0.00 N ATOM 1223 CA GLU A 77 -6.450 10.791 6.516 1.00 0.00 C ATOM 1224 C GLU A 77 -5.374 9.755 6.829 1.00 0.00 C ATOM 1225 O GLU A 77 -5.267 9.277 7.958 1.00 0.00 O ATOM 1226 CB GLU A 77 -7.140 11.231 7.809 1.00 0.00 C ATOM 1227 CG GLU A 77 -8.355 12.115 7.580 1.00 0.00 C ATOM 1228 CD GLU A 77 -8.542 13.145 8.677 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -7.882 14.202 8.619 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -9.350 12.891 9.595 1.00 0.00 O ATOM 0 H GLU A 77 -7.466 10.748 4.683 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.974 11.656 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.445 10.346 8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.422 11.768 8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.254 12.625 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.247 11.491 7.516 1.00 0.00 H new ATOM 1237 N MET A 78 -4.580 9.412 5.819 1.00 0.00 N ATOM 1238 CA MET A 78 -3.512 8.433 5.986 1.00 0.00 C ATOM 1239 C MET A 78 -2.234 8.901 5.297 1.00 0.00 C ATOM 1240 O MET A 78 -1.727 8.236 4.395 1.00 0.00 O ATOM 1241 CB MET A 78 -3.941 7.077 5.424 1.00 0.00 C ATOM 1242 CG MET A 78 -5.339 6.658 5.849 1.00 0.00 C ATOM 1243 SD MET A 78 -5.843 5.085 5.125 1.00 0.00 S ATOM 1244 CE MET A 78 -5.772 5.478 3.379 1.00 0.00 C ATOM 0 H MET A 78 -4.656 9.797 4.878 1.00 0.00 H new ATOM 0 HA MET A 78 -3.312 8.329 7.052 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.897 7.114 4.336 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.229 6.317 5.747 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.377 6.582 6.936 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.050 7.432 5.559 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.734 5.257 2.917 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.544 6.536 3.253 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.995 4.880 2.903 1.00 0.00 H new ATOM 1254 N GLU A 79 -1.719 10.048 5.730 1.00 0.00 N ATOM 1255 CA GLU A 79 -0.501 10.604 5.152 1.00 0.00 C ATOM 1256 C GLU A 79 0.505 10.960 6.244 1.00 0.00 C ATOM 1257 O GLU A 79 0.351 10.562 7.398 1.00 0.00 O ATOM 1258 CB GLU A 79 -0.825 11.845 4.318 1.00 0.00 C ATOM 1259 CG GLU A 79 -2.214 11.818 3.703 1.00 0.00 C ATOM 1260 CD GLU A 79 -2.448 12.967 2.740 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -1.627 13.908 2.730 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -3.451 12.924 1.997 1.00 0.00 O ATOM 0 H GLU A 79 -2.126 10.609 6.478 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.058 9.847 4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.732 12.730 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.086 11.941 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.356 10.874 3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.960 11.857 4.497 1.00 0.00 H new ATOM 1269 N ASP A 80 1.534 11.711 5.869 1.00 0.00 N ATOM 1270 CA ASP A 80 2.565 12.122 6.814 1.00 0.00 C ATOM 1271 C ASP A 80 3.319 10.911 7.356 1.00 0.00 C ATOM 1272 O ASP A 80 3.512 10.778 8.564 1.00 0.00 O ATOM 1273 CB ASP A 80 1.944 12.910 7.969 1.00 0.00 C ATOM 1274 CG ASP A 80 0.818 13.816 7.512 1.00 0.00 C ATOM 1275 OD1 ASP A 80 0.900 14.341 6.382 1.00 0.00 O ATOM 1276 OD2 ASP A 80 -0.146 13.999 8.284 1.00 0.00 O ATOM 0 H ASP A 80 1.676 12.048 4.917 1.00 0.00 H new ATOM 0 HA ASP A 80 3.272 12.762 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.565 12.214 8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.715 13.509 8.452 1.00 0.00 H new ATOM 1281 N GLU A 81 3.743 10.032 6.453 1.00 0.00 N ATOM 1282 CA GLU A 81 4.474 8.831 6.841 1.00 0.00 C ATOM 1283 C GLU A 81 3.591 7.901 7.668 1.00 0.00 C ATOM 1284 O GLU A 81 4.065 7.234 8.588 1.00 0.00 O ATOM 1285 CB GLU A 81 5.726 9.205 7.637 1.00 0.00 C ATOM 1286 CG GLU A 81 6.923 8.318 7.340 1.00 0.00 C ATOM 1287 CD GLU A 81 8.007 8.428 8.395 1.00 0.00 C ATOM 1288 OE1 GLU A 81 7.687 8.828 9.534 1.00 0.00 O ATOM 1289 OE2 GLU A 81 9.175 8.115 8.082 1.00 0.00 O ATOM 0 H GLU A 81 3.593 10.129 5.449 1.00 0.00 H new ATOM 0 HA GLU A 81 4.772 8.308 5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.989 10.240 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.499 9.150 8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.594 7.281 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.338 8.587 6.369 1.00 0.00 H new ATOM 1296 N ASP A 82 2.306 7.862 7.334 1.00 0.00 N ATOM 1297 CA ASP A 82 1.357 7.013 8.044 1.00 0.00 C ATOM 1298 C ASP A 82 1.747 5.543 7.925 1.00 0.00 C ATOM 1299 O ASP A 82 2.672 5.192 7.191 1.00 0.00 O ATOM 1300 CB ASP A 82 -0.056 7.224 7.498 1.00 0.00 C ATOM 1301 CG ASP A 82 -1.014 7.738 8.555 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -1.374 6.956 9.461 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -1.404 8.921 8.478 1.00 0.00 O ATOM 0 H ASP A 82 1.898 8.409 6.576 1.00 0.00 H new ATOM 0 HA ASP A 82 1.377 7.291 9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.020 7.931 6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.432 6.283 7.098 1.00 0.00 H new ATOM 1308 N THR A 83 1.036 4.686 8.651 1.00 0.00 N ATOM 1309 CA THR A 83 1.309 3.255 8.629 1.00 0.00 C ATOM 1310 C THR A 83 0.015 2.449 8.586 1.00 0.00 C ATOM 1311 O THR A 83 -0.643 2.259 9.609 1.00 0.00 O ATOM 1312 CB THR A 83 2.131 2.820 9.857 1.00 0.00 C ATOM 1313 OG1 THR A 83 3.232 3.714 10.051 1.00 0.00 O ATOM 1314 CG2 THR A 83 2.647 1.400 9.688 1.00 0.00 C ATOM 0 H THR A 83 0.266 4.959 9.262 1.00 0.00 H new ATOM 0 HA THR A 83 1.887 3.058 7.726 1.00 0.00 H new ATOM 0 HB THR A 83 1.481 2.851 10.731 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.749 3.432 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.224 1.116 10.568 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.805 0.718 9.571 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.283 1.347 8.804 1.00 0.00 H new ATOM 1322 N ILE A 84 -0.343 1.977 7.397 1.00 0.00 N ATOM 1323 CA ILE A 84 -1.557 1.190 7.222 1.00 0.00 C ATOM 1324 C ILE A 84 -1.283 -0.296 7.425 1.00 0.00 C ATOM 1325 O ILE A 84 -0.400 -0.868 6.784 1.00 0.00 O ATOM 1326 CB ILE A 84 -2.170 1.402 5.825 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -2.516 2.878 5.615 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.406 0.532 5.651 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -3.178 3.159 4.284 1.00 0.00 C ATOM 0 H ILE A 84 0.190 2.126 6.540 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.266 1.532 7.976 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.436 1.110 5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.177 3.206 6.417 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.605 3.471 5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.828 0.693 4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.131 -0.517 5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.146 0.796 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.395 4.224 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.510 2.862 3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.107 2.593 4.213 1.00 0.00 H new ATOM 1341 N ASP A 85 -2.046 -0.917 8.317 1.00 0.00 N ATOM 1342 CA ASP A 85 -1.888 -2.338 8.603 1.00 0.00 C ATOM 1343 C ASP A 85 -2.631 -3.185 7.574 1.00 0.00 C ATOM 1344 O ASP A 85 -3.725 -2.829 7.135 1.00 0.00 O ATOM 1345 CB ASP A 85 -2.397 -2.658 10.009 1.00 0.00 C ATOM 1346 CG ASP A 85 -1.312 -2.533 11.060 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -1.034 -1.396 11.493 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -0.740 -3.573 11.449 1.00 0.00 O ATOM 0 H ASP A 85 -2.781 -0.458 8.855 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.826 -2.578 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.218 -1.985 10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.799 -3.671 10.025 1.00 0.00 H new ATOM 1353 N VAL A 86 -2.029 -4.307 7.192 1.00 0.00 N ATOM 1354 CA VAL A 86 -2.634 -5.204 6.215 1.00 0.00 C ATOM 1355 C VAL A 86 -3.219 -6.439 6.892 1.00 0.00 C ATOM 1356 O VAL A 86 -2.814 -6.807 7.995 1.00 0.00 O ATOM 1357 CB VAL A 86 -1.610 -5.650 5.154 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -0.713 -6.747 5.705 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -2.321 -6.115 3.892 1.00 0.00 C ATOM 0 H VAL A 86 -1.123 -4.616 7.544 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.434 -4.648 5.726 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.983 -4.796 4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.004 -7.049 4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.177 -6.375 6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.321 -7.605 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.583 -6.427 3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.973 -6.955 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.917 -5.297 3.488 1.00 0.00 H new ATOM 1369 N PHE A 87 -4.173 -7.077 6.223 1.00 0.00 N ATOM 1370 CA PHE A 87 -4.815 -8.272 6.759 1.00 0.00 C ATOM 1371 C PHE A 87 -4.626 -9.459 5.820 1.00 0.00 C ATOM 1372 O PHE A 87 -5.269 -9.543 4.773 1.00 0.00 O ATOM 1373 CB PHE A 87 -6.307 -8.017 6.985 1.00 0.00 C ATOM 1374 CG PHE A 87 -6.654 -7.712 8.414 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -5.862 -6.859 9.166 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -7.772 -8.278 9.005 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -6.179 -6.578 10.481 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -8.094 -8.000 10.321 1.00 0.00 C ATOM 1379 CZ PHE A 87 -7.296 -7.148 11.059 1.00 0.00 C ATOM 0 H PHE A 87 -4.519 -6.787 5.308 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.346 -8.509 7.714 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.624 -7.184 6.357 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.870 -8.893 6.662 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.988 -6.409 8.719 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.399 -8.944 8.431 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.553 -5.912 11.057 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.968 -8.448 10.771 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.545 -6.928 12.087 1.00 0.00 H new ATOM 1389 N GLN A 88 -3.740 -10.373 6.201 1.00 0.00 N ATOM 1390 CA GLN A 88 -3.466 -11.555 5.392 1.00 0.00 C ATOM 1391 C GLN A 88 -3.092 -12.743 6.273 1.00 0.00 C ATOM 1392 O GLN A 88 -2.778 -12.578 7.451 1.00 0.00 O ATOM 1393 CB GLN A 88 -2.339 -11.268 4.398 1.00 0.00 C ATOM 1394 CG GLN A 88 -1.155 -10.540 5.013 1.00 0.00 C ATOM 1395 CD GLN A 88 -0.104 -10.163 3.988 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -0.268 -10.415 2.794 1.00 0.00 O ATOM 1397 NE2 GLN A 88 0.983 -9.556 4.449 1.00 0.00 N ATOM 0 H GLN A 88 -3.200 -10.318 7.064 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.373 -11.806 4.841 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.994 -12.210 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.734 -10.671 3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.508 -9.639 5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.702 -11.172 5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.077 -9.367 5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.724 -9.279 3.805 1.00 0.00 H new ATOM 1406 N GLN A 89 -3.129 -13.938 5.693 1.00 0.00 N ATOM 1407 CA GLN A 89 -2.795 -15.153 6.426 1.00 0.00 C ATOM 1408 C GLN A 89 -2.792 -16.364 5.500 1.00 0.00 C ATOM 1409 O GLN A 89 -3.774 -16.629 4.806 1.00 0.00 O ATOM 1410 CB GLN A 89 -3.788 -15.373 7.569 1.00 0.00 C ATOM 1411 CG GLN A 89 -5.217 -15.593 7.100 1.00 0.00 C ATOM 1412 CD GLN A 89 -5.553 -17.061 6.923 1.00 0.00 C ATOM 1413 OE1 GLN A 89 -5.314 -17.853 7.962 1.00 0.00 O flip ATOM 1414 NE2 GLN A 89 -6.022 -17.479 5.864 1.00 0.00 N flip ATOM 0 H GLN A 89 -3.387 -14.091 4.718 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.794 -15.033 6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.470 -16.236 8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -3.761 -14.509 8.233 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.904 -15.151 7.821 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.369 -15.073 6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.190 -16.835 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.243 -18.469 5.760 1.00 0.00 H new ATOM 1423 N GLN A 90 -1.683 -17.096 5.494 1.00 0.00 N ATOM 1424 CA GLN A 90 -1.552 -18.279 4.652 1.00 0.00 C ATOM 1425 C GLN A 90 -0.498 -19.230 5.208 1.00 0.00 C ATOM 1426 O GLN A 90 0.469 -18.802 5.839 1.00 0.00 O ATOM 1427 CB GLN A 90 -1.189 -17.875 3.222 1.00 0.00 C ATOM 1428 CG GLN A 90 -1.503 -18.946 2.189 1.00 0.00 C ATOM 1429 CD GLN A 90 -2.925 -18.857 1.670 1.00 0.00 C ATOM 1430 OE1 GLN A 90 -3.199 -18.160 0.693 1.00 0.00 O ATOM 1431 NE2 GLN A 90 -3.839 -19.565 2.324 1.00 0.00 N ATOM 0 H GLN A 90 -0.862 -16.891 6.063 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.512 -18.796 4.644 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.727 -16.963 2.963 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.125 -17.641 3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.809 -18.854 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.342 -19.930 2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.567 -20.129 3.129 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.813 -19.544 2.021 1.00 0.00 H new ATOM 1440 N THR A 91 -0.690 -20.524 4.970 1.00 0.00 N ATOM 1441 CA THR A 91 0.244 -21.536 5.448 1.00 0.00 C ATOM 1442 C THR A 91 1.414 -21.703 4.485 1.00 0.00 C ATOM 1443 O THR A 91 2.495 -22.140 4.877 1.00 0.00 O ATOM 1444 CB THR A 91 -0.451 -22.898 5.634 1.00 0.00 C ATOM 1445 OG1 THR A 91 -1.478 -23.062 4.651 1.00 0.00 O ATOM 1446 CG2 THR A 91 -1.052 -23.012 7.027 1.00 0.00 C ATOM 0 H THR A 91 -1.484 -20.896 4.449 1.00 0.00 H new ATOM 0 HA THR A 91 0.617 -21.192 6.413 1.00 0.00 H new ATOM 0 HB THR A 91 0.296 -23.682 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.914 -23.931 4.775 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.538 -23.982 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.263 -22.916 7.773 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.787 -22.220 7.172 1.00 0.00 H new ATOM 1454 N GLY A 92 1.191 -21.351 3.222 1.00 0.00 N ATOM 1455 CA GLY A 92 2.237 -21.469 2.223 1.00 0.00 C ATOM 1456 C GLY A 92 2.777 -20.121 1.788 1.00 0.00 C ATOM 1457 O GLY A 92 2.996 -19.886 0.600 1.00 0.00 O ATOM 0 H GLY A 92 0.305 -20.986 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.052 -22.071 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.847 -21.999 1.354 1.00 0.00 H new ATOM 1461 N GLY A 93 2.992 -19.231 2.752 1.00 0.00 N ATOM 1462 CA GLY A 93 3.506 -17.910 2.442 1.00 0.00 C ATOM 1463 C GLY A 93 4.704 -17.539 3.294 1.00 0.00 C ATOM 1464 O GLY A 93 5.417 -18.412 3.789 1.00 0.00 O ATOM 0 H GLY A 93 2.819 -19.402 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.786 -17.871 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.717 -17.173 2.589 1.00 0.00 H new ATOM 1468 N VAL A 94 4.927 -16.240 3.465 1.00 0.00 N ATOM 1469 CA VAL A 94 6.047 -15.755 4.262 1.00 0.00 C ATOM 1470 C VAL A 94 5.663 -14.506 5.047 1.00 0.00 C ATOM 1471 O VAL A 94 5.478 -13.433 4.473 1.00 0.00 O ATOM 1472 CB VAL A 94 7.269 -15.439 3.380 1.00 0.00 C ATOM 1473 CG1 VAL A 94 8.482 -15.119 4.241 1.00 0.00 C ATOM 1474 CG2 VAL A 94 7.563 -16.599 2.441 1.00 0.00 C ATOM 0 H VAL A 94 4.347 -15.504 3.062 1.00 0.00 H new ATOM 0 HA VAL A 94 6.308 -16.552 4.958 1.00 0.00 H new ATOM 0 HB VAL A 94 7.041 -14.561 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.335 -14.898 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.265 -14.254 4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.715 -15.975 4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.430 -16.358 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.770 -17.496 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.700 -16.775 1.799 1.00 0.00 H new ATOM 1484 N TYR A 95 5.546 -14.653 6.362 1.00 0.00 N ATOM 1485 CA TYR A 95 5.182 -13.537 7.226 1.00 0.00 C ATOM 1486 C TYR A 95 6.089 -13.478 8.452 1.00 0.00 C ATOM 1487 O TYR A 95 6.004 -14.325 9.340 1.00 0.00 O ATOM 1488 CB TYR A 95 3.722 -13.658 7.664 1.00 0.00 C ATOM 1489 CG TYR A 95 2.737 -13.567 6.520 1.00 0.00 C ATOM 1490 CD1 TYR A 95 2.894 -12.620 5.516 1.00 0.00 C ATOM 1491 CD2 TYR A 95 1.650 -14.429 6.443 1.00 0.00 C ATOM 1492 CE1 TYR A 95 1.997 -12.533 4.469 1.00 0.00 C ATOM 1493 CE2 TYR A 95 0.748 -14.350 5.400 1.00 0.00 C ATOM 1494 CZ TYR A 95 0.926 -13.400 4.416 1.00 0.00 C ATOM 1495 OH TYR A 95 0.030 -13.317 3.374 1.00 0.00 O ATOM 0 H TYR A 95 5.698 -15.534 6.853 1.00 0.00 H new ATOM 0 HA TYR A 95 5.309 -12.615 6.658 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.583 -14.610 8.177 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.502 -12.871 8.386 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.732 -11.940 5.555 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.508 -15.174 7.212 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.134 -11.791 3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -0.092 -15.028 5.355 1.00 0.00 H new ATOM 0 HH TYR A 95 0.172 -12.479 2.886 1.00 0.00 H new TER 1505 TYR A 95