USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 158:sc= -0.081 (180deg=-0.677) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.725 (180deg=-0.756) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= -0.131 (180deg=-0.929) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -82:sc= 1.14 USER MOD Single : A 15 THR OG1 : rot 48:sc= 0.0415 USER MOD Single : A 16 THR OG1 : rot 73:sc= 0.793 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 84:sc= 0.753 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -150:sc= -1.59 USER MOD Single : A 40 THR OG1 : rot -66:sc= 0.21 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -21:sc= 0.488 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.737 F(o=-1.4,f=-0.74) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= -0.0627 (180deg=-0.487) USER MOD Single : A 67 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.72) USER MOD Single : A 71 SER OG : rot -57:sc= 0.0942 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= -0.055 (180deg=-0.495) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.009 13.293 -8.726 1.00 0.00 N ATOM 2 CA MET A 1 -4.845 12.060 -8.785 1.00 0.00 C ATOM 3 C MET A 1 -4.284 11.021 -7.821 1.00 0.00 C ATOM 4 O MET A 1 -4.420 9.818 -8.042 1.00 0.00 O ATOM 5 CB MET A 1 -4.830 11.505 -10.211 1.00 0.00 C ATOM 6 CG MET A 1 -5.599 12.450 -11.137 1.00 0.00 C ATOM 7 SD MET A 1 -5.428 11.889 -12.853 1.00 0.00 S ATOM 8 CE MET A 1 -6.441 10.393 -12.724 1.00 0.00 C ATOM 0 H1 MET A 1 -4.370 13.990 -9.408 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.049 13.694 -7.767 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.024 13.056 -8.962 1.00 0.00 H new ATOM 0 HA MET A 1 -5.870 12.297 -8.501 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.803 11.395 -10.559 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.281 10.513 -10.231 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.652 12.476 -10.855 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.217 13.466 -11.036 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.793 10.106 -13.715 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.844 9.584 -12.302 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.296 10.588 -12.077 1.00 0.00 H new ATOM 20 N LYS A 2 -3.649 11.493 -6.750 1.00 0.00 N ATOM 21 CA LYS A 2 -3.064 10.595 -5.754 1.00 0.00 C ATOM 22 C LYS A 2 -4.111 10.235 -4.697 1.00 0.00 C ATOM 23 O LYS A 2 -4.302 10.964 -3.724 1.00 0.00 O ATOM 24 CB LYS A 2 -1.852 11.280 -5.088 1.00 0.00 C ATOM 25 CG LYS A 2 -0.565 10.955 -5.859 1.00 0.00 C ATOM 26 CD LYS A 2 -0.658 11.523 -7.277 1.00 0.00 C ATOM 27 CE LYS A 2 0.661 11.277 -8.011 1.00 0.00 C ATOM 28 NZ LYS A 2 0.569 11.824 -9.395 1.00 0.00 N ATOM 0 H LYS A 2 -3.526 12.486 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.732 9.680 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.005 12.359 -5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.759 10.945 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.297 11.378 -5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.415 9.876 -5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.480 11.052 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.872 12.591 -7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.482 11.752 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.877 10.209 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.466 11.657 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.205 11.351 -9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.382 12.846 -9.353 1.00 0.00 H new ATOM 42 N ASP A 3 -4.777 9.102 -4.897 1.00 0.00 N ATOM 43 CA ASP A 3 -5.796 8.644 -3.958 1.00 0.00 C ATOM 44 C ASP A 3 -5.177 8.371 -2.580 1.00 0.00 C ATOM 45 O ASP A 3 -5.788 8.670 -1.554 1.00 0.00 O ATOM 46 CB ASP A 3 -6.478 7.370 -4.500 1.00 0.00 C ATOM 47 CG ASP A 3 -7.926 7.265 -4.019 1.00 0.00 C ATOM 48 OD1 ASP A 3 -8.325 8.058 -3.182 1.00 0.00 O ATOM 49 OD2 ASP A 3 -8.612 6.380 -4.503 1.00 0.00 O ATOM 0 H ASP A 3 -4.631 8.486 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.546 9.428 -3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.455 7.378 -5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.921 6.491 -4.176 1.00 0.00 H new ATOM 54 N PRO A 4 -3.989 7.801 -2.532 1.00 0.00 N ATOM 55 CA PRO A 4 -3.297 7.478 -1.244 1.00 0.00 C ATOM 56 C PRO A 4 -2.944 8.731 -0.434 1.00 0.00 C ATOM 57 O PRO A 4 -2.366 8.640 0.647 1.00 0.00 O ATOM 58 CB PRO A 4 -2.018 6.726 -1.680 1.00 0.00 C ATOM 59 CG PRO A 4 -2.262 6.320 -3.099 1.00 0.00 C ATOM 60 CD PRO A 4 -3.162 7.399 -3.687 1.00 0.00 C ATOM 0 HA PRO A 4 -3.936 6.891 -0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.139 7.366 -1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.838 5.857 -1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.326 6.247 -3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.739 5.341 -3.150 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.585 8.235 -4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.770 7.016 -4.506 1.00 0.00 H new ATOM 68 N LYS A 5 -3.297 9.894 -0.963 1.00 0.00 N ATOM 69 CA LYS A 5 -3.016 11.154 -0.283 1.00 0.00 C ATOM 70 C LYS A 5 -3.992 11.422 0.870 1.00 0.00 C ATOM 71 O LYS A 5 -3.594 11.680 2.005 1.00 0.00 O ATOM 72 CB LYS A 5 -3.132 12.300 -1.299 1.00 0.00 C ATOM 73 CG LYS A 5 -2.604 13.620 -0.703 1.00 0.00 C ATOM 74 CD LYS A 5 -1.079 13.703 -0.851 1.00 0.00 C ATOM 75 CE LYS A 5 -0.592 15.064 -0.350 1.00 0.00 C ATOM 76 NZ LYS A 5 -1.233 16.145 -1.151 1.00 0.00 N ATOM 0 H LYS A 5 -3.777 9.993 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.011 11.090 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.569 12.052 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.173 12.422 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.071 14.466 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.877 13.686 0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.604 12.903 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.796 13.565 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.837 15.184 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.493 15.128 -0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.633 16.994 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.349 15.827 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.165 16.369 -0.748 1.00 0.00 H new ATOM 90 N THR A 6 -5.276 11.297 0.542 1.00 0.00 N ATOM 91 CA THR A 6 -6.380 11.451 1.494 1.00 0.00 C ATOM 92 C THR A 6 -6.581 10.175 2.323 1.00 0.00 C ATOM 93 O THR A 6 -6.997 10.207 3.478 1.00 0.00 O ATOM 94 CB THR A 6 -7.672 11.776 0.740 1.00 0.00 C ATOM 95 OG1 THR A 6 -7.502 12.987 0.015 1.00 0.00 O ATOM 96 CG2 THR A 6 -8.821 11.933 1.737 1.00 0.00 C ATOM 0 H THR A 6 -5.586 11.083 -0.406 1.00 0.00 H new ATOM 0 HA THR A 6 -6.130 12.267 2.172 1.00 0.00 H new ATOM 0 HB THR A 6 -7.904 10.966 0.048 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.327 13.196 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.740 12.164 1.199 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.950 11.004 2.293 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.593 12.742 2.431 1.00 0.00 H new ATOM 104 N LEU A 7 -6.249 9.069 1.685 1.00 0.00 N ATOM 105 CA LEU A 7 -6.352 7.754 2.325 1.00 0.00 C ATOM 106 C LEU A 7 -5.404 7.692 3.539 1.00 0.00 C ATOM 107 O LEU A 7 -5.794 7.290 4.631 1.00 0.00 O ATOM 108 CB LEU A 7 -6.000 6.641 1.325 1.00 0.00 C ATOM 109 CG LEU A 7 -6.709 5.328 1.700 1.00 0.00 C ATOM 110 CD1 LEU A 7 -6.444 4.283 0.611 1.00 0.00 C ATOM 111 CD2 LEU A 7 -6.189 4.811 3.053 1.00 0.00 C ATOM 0 H LEU A 7 -5.905 9.046 0.725 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.378 7.605 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.292 6.943 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.921 6.486 1.311 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.781 5.509 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.944 3.350 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.827 4.646 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.371 4.108 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.698 3.881 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.116 4.630 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.384 5.555 3.826 1.00 0.00 H new ATOM 123 N LEU A 8 -4.173 8.137 3.322 1.00 0.00 N ATOM 124 CA LEU A 8 -3.110 8.213 4.338 1.00 0.00 C ATOM 125 C LEU A 8 -3.304 9.397 5.300 1.00 0.00 C ATOM 126 O LEU A 8 -2.790 9.420 6.418 1.00 0.00 O ATOM 127 CB LEU A 8 -1.752 8.360 3.644 1.00 0.00 C ATOM 128 CG LEU A 8 -1.423 7.088 2.841 1.00 0.00 C ATOM 129 CD1 LEU A 8 -0.153 7.329 2.012 1.00 0.00 C ATOM 130 CD2 LEU A 8 -1.199 5.890 3.790 1.00 0.00 C ATOM 0 H LEU A 8 -3.869 8.468 2.406 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.153 7.294 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.767 9.224 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.974 8.541 4.386 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.261 6.859 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.085 6.431 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.318 8.161 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.677 7.566 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.968 5.000 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.369 6.108 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.102 5.715 4.374 1.00 0.00 H new ATOM 142 N ARG A 9 -4.073 10.358 4.813 1.00 0.00 N ATOM 143 CA ARG A 9 -4.397 11.575 5.570 1.00 0.00 C ATOM 144 C ARG A 9 -5.218 11.262 6.825 1.00 0.00 C ATOM 145 O ARG A 9 -5.097 11.945 7.840 1.00 0.00 O ATOM 146 CB ARG A 9 -5.171 12.563 4.705 1.00 0.00 C ATOM 147 CG ARG A 9 -5.402 13.857 5.488 1.00 0.00 C ATOM 148 CD ARG A 9 -5.987 14.918 4.555 1.00 0.00 C ATOM 149 NE ARG A 9 -6.287 16.138 5.295 1.00 0.00 N ATOM 150 CZ ARG A 9 -5.331 17.009 5.604 1.00 0.00 C ATOM 151 NH1 ARG A 9 -4.092 16.759 5.279 1.00 0.00 N ATOM 152 NH2 ARG A 9 -5.631 18.112 6.233 1.00 0.00 N ATOM 0 H ARG A 9 -4.494 10.324 3.884 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.448 12.018 5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.617 12.773 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.126 12.131 4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.081 13.675 6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.463 14.210 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.281 15.136 3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.894 14.538 4.086 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.248 16.327 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.858 15.896 4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.358 17.427 5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.599 18.306 6.488 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.897 18.780 6.470 1.00 0.00 H new ATOM 166 N VAL A 10 -6.047 10.223 6.749 1.00 0.00 N ATOM 167 CA VAL A 10 -6.883 9.819 7.882 1.00 0.00 C ATOM 168 C VAL A 10 -6.051 9.379 9.083 1.00 0.00 C ATOM 169 O VAL A 10 -6.485 9.575 10.219 1.00 0.00 O ATOM 170 CB VAL A 10 -7.821 8.673 7.479 1.00 0.00 C ATOM 171 CG1 VAL A 10 -8.551 9.045 6.187 1.00 0.00 C ATOM 172 CG2 VAL A 10 -7.013 7.374 7.283 1.00 0.00 C ATOM 0 H VAL A 10 -6.159 9.645 5.916 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.465 10.695 8.169 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.554 8.509 8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.218 8.232 5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.133 9.953 6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.823 9.215 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.687 6.566 6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.271 7.522 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.510 7.114 8.214 1.00 0.00 H new ATOM 182 N SER A 11 -4.868 8.809 8.884 1.00 0.00 N ATOM 183 CA SER A 11 -4.073 8.409 10.039 1.00 0.00 C ATOM 184 C SER A 11 -3.671 9.632 10.861 1.00 0.00 C ATOM 185 O SER A 11 -3.888 9.656 12.040 1.00 0.00 O ATOM 186 CB SER A 11 -2.822 7.657 9.583 1.00 0.00 C ATOM 187 OG SER A 11 -2.037 8.507 8.756 1.00 0.00 O ATOM 0 H SER A 11 -4.451 8.619 7.973 1.00 0.00 H new ATOM 0 HA SER A 11 -4.678 7.751 10.662 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.242 7.335 10.448 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.104 6.757 9.036 1.00 0.00 H new ATOM 0 HG SER A 11 -2.393 8.494 7.843 1.00 0.00 H new ATOM 193 N ILE A 12 -3.083 10.630 10.250 1.00 0.00 N ATOM 194 CA ILE A 12 -2.654 11.805 11.026 1.00 0.00 C ATOM 195 C ILE A 12 -3.845 12.378 11.819 1.00 0.00 C ATOM 196 O ILE A 12 -3.766 12.676 13.009 1.00 0.00 O ATOM 197 CB ILE A 12 -2.132 12.883 10.069 1.00 0.00 C ATOM 198 CG1 ILE A 12 -0.908 12.358 9.294 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.753 14.139 10.860 1.00 0.00 C ATOM 200 CD1 ILE A 12 0.219 11.924 10.247 1.00 0.00 C ATOM 0 H ILE A 12 -2.887 10.671 9.250 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.868 11.504 11.718 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.917 13.134 9.355 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.205 11.514 8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.540 13.135 8.623 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.383 14.902 10.175 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.630 14.517 11.385 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.976 13.893 11.584 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.066 11.559 9.666 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.533 12.775 10.851 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.142 11.129 10.900 1.00 0.00 H new ATOM 212 N ILE A 13 -4.931 12.476 11.099 1.00 0.00 N ATOM 213 CA ILE A 13 -6.195 12.970 11.661 1.00 0.00 C ATOM 214 C ILE A 13 -6.658 12.084 12.852 1.00 0.00 C ATOM 215 O ILE A 13 -7.039 12.599 13.899 1.00 0.00 O ATOM 216 CB ILE A 13 -7.285 13.009 10.583 1.00 0.00 C ATOM 217 CG1 ILE A 13 -6.930 14.045 9.499 1.00 0.00 C ATOM 218 CG2 ILE A 13 -8.635 13.363 11.218 1.00 0.00 C ATOM 219 CD1 ILE A 13 -6.761 15.453 10.096 1.00 0.00 C ATOM 0 H ILE A 13 -4.982 12.222 10.112 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.025 13.982 12.028 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.353 12.025 10.119 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.008 13.748 8.999 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.713 14.062 8.741 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.404 13.389 10.446 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -8.894 12.612 11.964 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.567 14.340 11.696 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.511 16.157 9.302 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.692 15.760 10.574 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.960 15.441 10.836 1.00 0.00 H new ATOM 231 N GLY A 14 -6.551 10.768 12.698 1.00 0.00 N ATOM 232 CA GLY A 14 -6.886 9.833 13.806 1.00 0.00 C ATOM 233 C GLY A 14 -5.683 9.670 14.773 1.00 0.00 C ATOM 234 O GLY A 14 -5.794 9.741 15.997 1.00 0.00 O ATOM 0 H GLY A 14 -6.242 10.315 11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.751 10.207 14.354 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.163 8.862 13.397 1.00 0.00 H new ATOM 238 N THR A 15 -4.569 9.401 14.128 1.00 0.00 N ATOM 239 CA THR A 15 -3.265 9.143 14.773 1.00 0.00 C ATOM 240 C THR A 15 -2.798 10.313 15.644 1.00 0.00 C ATOM 241 O THR A 15 -2.092 10.103 16.630 1.00 0.00 O ATOM 242 CB THR A 15 -2.170 8.828 13.747 1.00 0.00 C ATOM 243 OG1 THR A 15 -2.610 7.784 12.888 1.00 0.00 O ATOM 244 CG2 THR A 15 -0.905 8.375 14.479 1.00 0.00 C ATOM 0 H THR A 15 -4.526 9.350 13.110 1.00 0.00 H new ATOM 0 HA THR A 15 -3.427 8.273 15.410 1.00 0.00 H new ATOM 0 HB THR A 15 -1.957 9.721 13.159 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.515 7.983 12.568 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.125 8.150 13.752 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.565 9.170 15.143 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.123 7.482 15.064 1.00 0.00 H new ATOM 252 N THR A 16 -3.201 11.533 15.305 1.00 0.00 N ATOM 253 CA THR A 16 -2.827 12.710 16.092 1.00 0.00 C ATOM 254 C THR A 16 -3.639 12.810 17.382 1.00 0.00 C ATOM 255 O THR A 16 -3.164 13.333 18.390 1.00 0.00 O ATOM 256 CB THR A 16 -3.001 13.987 15.266 1.00 0.00 C ATOM 257 OG1 THR A 16 -2.141 13.936 14.136 1.00 0.00 O ATOM 258 CG2 THR A 16 -2.650 15.204 16.124 1.00 0.00 C ATOM 0 H THR A 16 -3.785 11.736 14.494 1.00 0.00 H new ATOM 0 HA THR A 16 -1.777 12.598 16.363 1.00 0.00 H new ATOM 0 HB THR A 16 -4.036 14.068 14.933 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.488 13.287 13.489 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.774 16.113 15.535 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.310 15.241 16.991 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.615 15.127 16.459 1.00 0.00 H new ATOM 266 N LEU A 17 -4.881 12.346 17.322 1.00 0.00 N ATOM 267 CA LEU A 17 -5.821 12.406 18.439 1.00 0.00 C ATOM 268 C LEU A 17 -5.515 11.439 19.588 1.00 0.00 C ATOM 269 O LEU A 17 -5.945 11.701 20.711 1.00 0.00 O ATOM 270 CB LEU A 17 -7.256 12.171 17.919 1.00 0.00 C ATOM 271 CG LEU A 17 -7.890 13.488 17.410 1.00 0.00 C ATOM 272 CD1 LEU A 17 -8.299 14.390 18.592 1.00 0.00 C ATOM 273 CD2 LEU A 17 -6.901 14.243 16.505 1.00 0.00 C ATOM 0 H LEU A 17 -5.271 11.911 16.486 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.717 13.404 18.865 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.238 11.438 17.113 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.871 11.753 18.716 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.781 13.234 16.836 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.742 15.310 18.211 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.026 13.867 19.214 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.418 14.631 19.187 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.361 15.167 16.155 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.998 14.478 17.069 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.642 13.620 15.649 1.00 0.00 H new ATOM 285 N VAL A 18 -4.825 10.324 19.362 1.00 0.00 N ATOM 286 CA VAL A 18 -4.594 9.419 20.484 1.00 0.00 C ATOM 287 C VAL A 18 -3.938 10.189 21.631 1.00 0.00 C ATOM 288 O VAL A 18 -4.388 10.155 22.776 1.00 0.00 O ATOM 289 CB VAL A 18 -3.710 8.243 20.046 1.00 0.00 C ATOM 290 CG1 VAL A 18 -2.342 8.751 19.571 1.00 0.00 C ATOM 291 CG2 VAL A 18 -3.520 7.286 21.228 1.00 0.00 C ATOM 0 H VAL A 18 -4.435 10.035 18.465 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.547 9.017 20.826 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.195 7.721 19.221 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.727 7.905 19.264 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.478 9.427 18.727 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.848 9.282 20.385 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.893 6.449 20.921 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.041 7.816 22.052 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.491 6.912 21.553 1.00 0.00 H new ATOM 301 N ALA A 19 -2.849 10.865 21.281 1.00 0.00 N ATOM 302 CA ALA A 19 -2.060 11.651 22.225 1.00 0.00 C ATOM 303 C ALA A 19 -2.900 12.726 22.905 1.00 0.00 C ATOM 304 O ALA A 19 -2.654 13.075 24.059 1.00 0.00 O ATOM 305 CB ALA A 19 -0.891 12.311 21.494 1.00 0.00 C ATOM 0 H ALA A 19 -2.486 10.884 20.328 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.690 10.973 22.994 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.304 12.897 22.201 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.260 11.542 21.048 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.274 12.965 20.711 1.00 0.00 H new ATOM 311 N LEU A 20 -3.899 13.244 22.198 1.00 0.00 N ATOM 312 CA LEU A 20 -4.757 14.268 22.780 1.00 0.00 C ATOM 313 C LEU A 20 -5.606 13.672 23.900 1.00 0.00 C ATOM 314 O LEU A 20 -5.701 14.251 24.982 1.00 0.00 O ATOM 315 CB LEU A 20 -5.646 14.907 21.700 1.00 0.00 C ATOM 316 CG LEU A 20 -6.448 16.106 22.283 1.00 0.00 C ATOM 317 CD1 LEU A 20 -6.579 17.212 21.229 1.00 0.00 C ATOM 318 CD2 LEU A 20 -7.861 15.661 22.697 1.00 0.00 C ATOM 0 H LEU A 20 -4.131 12.978 21.241 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.128 15.050 23.205 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.029 15.247 20.868 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.335 14.162 21.302 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.911 16.478 23.155 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.142 18.047 21.646 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.587 17.554 20.935 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.102 16.822 20.356 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.407 16.513 23.102 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.390 15.272 21.827 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.789 14.882 23.456 1.00 0.00 H new ATOM 330 N SER A 21 -6.223 12.521 23.650 1.00 0.00 N ATOM 331 CA SER A 21 -7.057 11.872 24.658 1.00 0.00 C ATOM 332 C SER A 21 -6.224 11.148 25.713 1.00 0.00 C ATOM 333 O SER A 21 -6.666 10.942 26.830 1.00 0.00 O ATOM 334 CB SER A 21 -7.989 10.866 23.981 1.00 0.00 C ATOM 335 OG SER A 21 -8.820 10.263 24.964 1.00 0.00 O ATOM 0 H SER A 21 -6.162 12.020 22.763 1.00 0.00 H new ATOM 0 HA SER A 21 -7.632 12.651 25.159 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.599 11.366 23.229 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.407 10.104 23.463 1.00 0.00 H new ATOM 0 HG SER A 21 -9.420 9.618 24.534 1.00 0.00 H new ATOM 341 N SER A 22 -5.038 10.721 25.298 1.00 0.00 N ATOM 342 CA SER A 22 -4.135 9.961 26.173 1.00 0.00 C ATOM 343 C SER A 22 -3.280 10.853 27.088 1.00 0.00 C ATOM 344 O SER A 22 -2.745 10.375 28.089 1.00 0.00 O ATOM 345 CB SER A 22 -3.216 9.082 25.326 1.00 0.00 C ATOM 346 OG SER A 22 -3.998 8.127 24.621 1.00 0.00 O ATOM 0 H SER A 22 -4.673 10.885 24.360 1.00 0.00 H new ATOM 0 HA SER A 22 -4.768 9.353 26.819 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.652 9.696 24.624 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.490 8.576 25.962 1.00 0.00 H new ATOM 0 HG SER A 22 -4.340 8.529 23.795 1.00 0.00 H new ATOM 352 N PHE A 23 -3.175 12.142 26.774 1.00 0.00 N ATOM 353 CA PHE A 23 -2.388 13.028 27.659 1.00 0.00 C ATOM 354 C PHE A 23 -3.214 13.497 28.886 1.00 0.00 C ATOM 355 O PHE A 23 -2.661 13.552 29.985 1.00 0.00 O ATOM 356 CB PHE A 23 -1.843 14.233 26.866 1.00 0.00 C ATOM 357 CG PHE A 23 -0.442 13.946 26.357 1.00 0.00 C ATOM 358 CD1 PHE A 23 -0.126 12.685 25.837 1.00 0.00 C ATOM 359 CD2 PHE A 23 0.532 14.949 26.403 1.00 0.00 C ATOM 360 CE1 PHE A 23 1.167 12.429 25.364 1.00 0.00 C ATOM 361 CE2 PHE A 23 1.824 14.693 25.929 1.00 0.00 C ATOM 362 CZ PHE A 23 2.141 13.432 25.409 1.00 0.00 C ATOM 0 H PHE A 23 -3.597 12.589 25.960 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.544 12.453 28.041 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.503 14.452 26.027 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.831 15.118 27.502 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.878 11.911 25.801 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.287 15.921 26.804 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.412 11.456 24.964 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.576 15.468 25.964 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.137 13.234 25.043 1.00 0.00 H new ATOM 372 N THR A 24 -4.484 13.884 28.737 1.00 0.00 N ATOM 373 CA THR A 24 -5.251 14.392 29.897 1.00 0.00 C ATOM 374 C THR A 24 -5.576 13.343 30.988 1.00 0.00 C ATOM 375 O THR A 24 -5.594 13.674 32.173 1.00 0.00 O ATOM 376 CB THR A 24 -6.541 15.084 29.417 1.00 0.00 C ATOM 377 OG1 THR A 24 -6.195 16.243 28.672 1.00 0.00 O ATOM 378 CG2 THR A 24 -7.392 15.499 30.622 1.00 0.00 C ATOM 0 H THR A 24 -4.998 13.861 27.856 1.00 0.00 H new ATOM 0 HA THR A 24 -4.589 15.107 30.385 1.00 0.00 H new ATOM 0 HB THR A 24 -7.111 14.393 28.796 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.011 16.688 28.362 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.302 15.987 30.274 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.654 14.615 31.204 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.826 16.190 31.247 1.00 0.00 H new ATOM 386 N PRO A 25 -5.895 12.131 30.620 1.00 0.00 N ATOM 387 CA PRO A 25 -6.306 11.048 31.577 1.00 0.00 C ATOM 388 C PRO A 25 -5.415 10.865 32.806 1.00 0.00 C ATOM 389 O PRO A 25 -5.883 10.346 33.811 1.00 0.00 O ATOM 390 CB PRO A 25 -6.282 9.784 30.717 1.00 0.00 C ATOM 391 CG PRO A 25 -6.585 10.269 29.348 1.00 0.00 C ATOM 392 CD PRO A 25 -5.904 11.636 29.240 1.00 0.00 C ATOM 0 HA PRO A 25 -7.272 11.298 32.015 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.310 9.292 30.759 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.022 9.058 31.055 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.204 9.580 28.594 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.660 10.352 29.190 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.894 11.549 28.839 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.453 12.306 28.578 1.00 0.00 H new ATOM 400 N VAL A 26 -4.153 11.265 32.761 1.00 0.00 N ATOM 401 CA VAL A 26 -3.298 11.088 33.934 1.00 0.00 C ATOM 402 C VAL A 26 -3.822 11.897 35.126 1.00 0.00 C ATOM 403 O VAL A 26 -3.854 11.403 36.248 1.00 0.00 O ATOM 404 CB VAL A 26 -1.865 11.518 33.600 1.00 0.00 C ATOM 405 CG1 VAL A 26 -1.011 11.530 34.872 1.00 0.00 C ATOM 406 CG2 VAL A 26 -1.262 10.533 32.595 1.00 0.00 C ATOM 0 H VAL A 26 -3.705 11.701 31.955 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.307 10.033 34.209 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.883 12.520 33.172 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.005 11.837 34.625 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.437 12.231 35.590 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.993 10.531 35.307 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.243 10.836 32.355 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.251 9.533 33.028 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.862 10.528 31.685 1.00 0.00 H new ATOM 416 N LEU A 27 -4.169 13.155 34.886 1.00 0.00 N ATOM 417 CA LEU A 27 -4.618 14.063 35.947 1.00 0.00 C ATOM 418 C LEU A 27 -5.722 13.463 36.833 1.00 0.00 C ATOM 419 O LEU A 27 -5.877 13.864 37.987 1.00 0.00 O ATOM 420 CB LEU A 27 -5.153 15.356 35.293 1.00 0.00 C ATOM 421 CG LEU A 27 -3.999 16.317 34.946 1.00 0.00 C ATOM 422 CD1 LEU A 27 -3.331 16.867 36.226 1.00 0.00 C ATOM 423 CD2 LEU A 27 -2.961 15.581 34.086 1.00 0.00 C ATOM 0 H LEU A 27 -4.149 13.578 33.958 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.761 14.258 36.592 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.709 15.108 34.389 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.850 15.849 35.970 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.405 17.161 34.388 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.520 17.542 35.952 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.069 17.408 36.818 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.931 16.039 36.812 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.145 16.260 33.840 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.569 14.728 34.640 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.432 15.232 33.167 1.00 0.00 H new ATOM 435 N VAL A 28 -6.502 12.536 36.291 1.00 0.00 N ATOM 436 CA VAL A 28 -7.606 11.932 37.042 1.00 0.00 C ATOM 437 C VAL A 28 -7.110 10.977 38.136 1.00 0.00 C ATOM 438 O VAL A 28 -7.761 10.809 39.168 1.00 0.00 O ATOM 439 CB VAL A 28 -8.548 11.177 36.085 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.748 12.015 34.818 1.00 0.00 C ATOM 441 CG2 VAL A 28 -7.975 9.786 35.723 1.00 0.00 C ATOM 0 H VAL A 28 -6.395 12.185 35.339 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.145 12.744 37.530 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.507 11.022 36.580 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.414 11.488 34.135 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.187 12.977 35.083 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.785 12.177 34.333 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.660 9.275 35.046 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.007 9.907 35.236 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.854 9.195 36.631 1.00 0.00 H new ATOM 451 N ILE A 29 -5.963 10.354 37.893 1.00 0.00 N ATOM 452 CA ILE A 29 -5.392 9.413 38.853 1.00 0.00 C ATOM 453 C ILE A 29 -5.127 10.090 40.200 1.00 0.00 C ATOM 454 O ILE A 29 -5.279 9.457 41.243 1.00 0.00 O ATOM 455 CB ILE A 29 -4.087 8.799 38.294 1.00 0.00 C ATOM 456 CG1 ILE A 29 -3.783 7.461 39.006 1.00 0.00 C ATOM 457 CG2 ILE A 29 -2.906 9.773 38.500 1.00 0.00 C ATOM 458 CD1 ILE A 29 -4.580 6.312 38.365 1.00 0.00 C ATOM 0 H ILE A 29 -5.411 10.481 37.045 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.117 8.615 39.014 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.218 8.618 37.227 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.716 7.247 38.948 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.036 7.540 40.063 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.994 9.328 38.102 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.111 10.708 37.979 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.779 9.971 39.564 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.352 5.379 38.880 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.647 6.520 38.446 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.307 6.222 37.314 1.00 0.00 H new ATOM 470 N LEU A 30 -4.734 11.359 40.198 1.00 0.00 N ATOM 471 CA LEU A 30 -4.464 12.037 41.463 1.00 0.00 C ATOM 472 C LEU A 30 -5.702 12.029 42.353 1.00 0.00 C ATOM 473 O LEU A 30 -5.598 11.685 43.530 1.00 0.00 O ATOM 474 CB LEU A 30 -4.025 13.481 41.204 1.00 0.00 C ATOM 475 CG LEU A 30 -2.628 13.506 40.563 1.00 0.00 C ATOM 476 CD1 LEU A 30 -2.319 14.933 40.098 1.00 0.00 C ATOM 477 CD2 LEU A 30 -1.558 13.048 41.576 1.00 0.00 C ATOM 0 H LEU A 30 -4.598 11.927 39.362 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.662 11.503 41.973 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.742 13.975 40.548 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.013 14.038 42.141 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.613 12.824 39.713 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.329 14.961 39.642 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.064 15.247 39.367 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.343 15.608 40.954 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.576 13.072 41.104 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.563 13.716 42.438 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.778 12.032 41.903 1.00 0.00 H new ATOM 489 N LEU A 31 -6.859 12.429 41.842 1.00 0.00 N ATOM 490 CA LEU A 31 -8.045 12.466 42.690 1.00 0.00 C ATOM 491 C LEU A 31 -8.313 11.086 43.279 1.00 0.00 C ATOM 492 O LEU A 31 -8.648 10.939 44.455 1.00 0.00 O ATOM 493 CB LEU A 31 -9.255 12.877 41.845 1.00 0.00 C ATOM 494 CG LEU A 31 -9.135 14.349 41.420 1.00 0.00 C ATOM 495 CD1 LEU A 31 -10.226 14.659 40.390 1.00 0.00 C ATOM 496 CD2 LEU A 31 -9.291 15.285 42.641 1.00 0.00 C ATOM 0 H LEU A 31 -7.002 12.724 40.876 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.880 13.181 43.496 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.323 12.241 40.962 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.172 12.730 42.415 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.150 14.515 40.984 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.150 15.702 40.082 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.100 14.013 39.521 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.206 14.483 40.834 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.203 16.322 42.318 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.269 15.129 43.097 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.512 15.065 43.370 1.00 0.00 H new ATOM 508 N GLY A 32 -8.127 10.078 42.434 1.00 0.00 N ATOM 509 CA GLY A 32 -8.309 8.691 42.848 1.00 0.00 C ATOM 510 C GLY A 32 -7.296 8.332 43.931 1.00 0.00 C ATOM 511 O GLY A 32 -7.640 7.745 44.954 1.00 0.00 O ATOM 0 H GLY A 32 -7.851 10.195 41.459 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.322 8.545 43.223 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.188 8.028 41.991 1.00 0.00 H new ATOM 515 N VAL A 33 -6.052 8.747 43.707 1.00 0.00 N ATOM 516 CA VAL A 33 -5.009 8.515 44.708 1.00 0.00 C ATOM 517 C VAL A 33 -5.504 9.141 46.014 1.00 0.00 C ATOM 518 O VAL A 33 -5.491 8.502 47.065 1.00 0.00 O ATOM 519 CB VAL A 33 -3.678 9.143 44.275 1.00 0.00 C ATOM 520 CG1 VAL A 33 -2.695 9.124 45.450 1.00 0.00 C ATOM 521 CG2 VAL A 33 -3.084 8.334 43.109 1.00 0.00 C ATOM 0 H VAL A 33 -5.744 9.233 42.865 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.825 7.448 44.831 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.852 10.172 43.959 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.750 9.570 45.141 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.111 9.693 46.281 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.524 8.095 45.765 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.138 8.780 42.801 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.913 7.306 43.429 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.779 8.342 42.269 1.00 0.00 H new ATOM 531 N VAL A 34 -5.937 10.396 45.931 1.00 0.00 N ATOM 532 CA VAL A 34 -6.433 11.096 47.114 1.00 0.00 C ATOM 533 C VAL A 34 -7.605 10.306 47.695 1.00 0.00 C ATOM 534 O VAL A 34 -7.734 10.121 48.904 1.00 0.00 O ATOM 535 CB VAL A 34 -6.891 12.509 46.735 1.00 0.00 C ATOM 536 CG1 VAL A 34 -7.610 13.157 47.922 1.00 0.00 C ATOM 537 CG2 VAL A 34 -5.671 13.354 46.359 1.00 0.00 C ATOM 0 H VAL A 34 -5.955 10.943 45.071 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.638 11.177 47.855 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.574 12.451 45.888 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.933 14.161 47.647 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.479 12.557 48.193 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.930 13.215 48.772 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.994 14.359 46.089 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.990 13.407 47.208 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.159 12.898 45.512 1.00 0.00 H new ATOM 547 N GLY A 35 -8.440 9.829 46.785 1.00 0.00 N ATOM 548 CA GLY A 35 -9.597 9.027 47.170 1.00 0.00 C ATOM 549 C GLY A 35 -9.108 7.790 47.924 1.00 0.00 C ATOM 550 O GLY A 35 -9.640 7.424 48.972 1.00 0.00 O ATOM 0 H GLY A 35 -8.342 9.980 45.781 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.269 9.611 47.798 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.163 8.732 46.286 1.00 0.00 H new ATOM 554 N LEU A 36 -8.069 7.174 47.373 1.00 0.00 N ATOM 555 CA LEU A 36 -7.447 5.990 47.959 1.00 0.00 C ATOM 556 C LEU A 36 -6.691 6.352 49.239 1.00 0.00 C ATOM 557 O LEU A 36 -6.648 5.585 50.200 1.00 0.00 O ATOM 558 CB LEU A 36 -6.473 5.376 46.945 1.00 0.00 C ATOM 559 CG LEU A 36 -5.822 4.105 47.515 1.00 0.00 C ATOM 560 CD1 LEU A 36 -6.898 3.051 47.832 1.00 0.00 C ATOM 561 CD2 LEU A 36 -4.841 3.544 46.479 1.00 0.00 C ATOM 0 H LEU A 36 -7.632 7.482 46.504 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.227 5.271 48.210 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.003 5.137 46.023 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.701 6.102 46.689 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.293 4.351 48.436 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.423 2.156 48.235 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.596 3.453 48.566 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.438 2.796 46.920 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.373 2.642 46.872 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.379 3.303 45.562 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.073 4.287 46.265 1.00 0.00 H new ATOM 573 N SER A 37 -6.139 7.562 49.236 1.00 0.00 N ATOM 574 CA SER A 37 -5.426 8.073 50.405 1.00 0.00 C ATOM 575 C SER A 37 -6.398 8.132 51.578 1.00 0.00 C ATOM 576 O SER A 37 -6.059 7.792 52.683 1.00 0.00 O ATOM 577 CB SER A 37 -4.839 9.459 50.137 1.00 0.00 C ATOM 578 OG SER A 37 -4.136 9.900 51.291 1.00 0.00 O ATOM 0 H SER A 37 -6.170 8.204 48.444 1.00 0.00 H new ATOM 0 HA SER A 37 -4.595 7.406 50.635 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.168 9.423 49.279 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.634 10.162 49.890 1.00 0.00 H new ATOM 0 HG SER A 37 -4.172 10.878 51.342 1.00 0.00 H new ATOM 584 N ALA A 38 -7.611 8.546 51.300 1.00 0.00 N ATOM 585 CA ALA A 38 -8.642 8.618 52.340 1.00 0.00 C ATOM 586 C ALA A 38 -8.869 7.231 52.965 1.00 0.00 C ATOM 587 O ALA A 38 -9.080 7.119 54.173 1.00 0.00 O ATOM 588 CB ALA A 38 -9.953 9.156 51.762 1.00 0.00 C ATOM 0 H ALA A 38 -7.919 8.839 50.373 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.299 9.302 53.116 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.706 9.202 52.549 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.789 10.155 51.357 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.299 8.495 50.967 1.00 0.00 H new ATOM 594 N LEU A 39 -8.798 6.190 52.156 1.00 0.00 N ATOM 595 CA LEU A 39 -8.975 4.833 52.698 1.00 0.00 C ATOM 596 C LEU A 39 -7.728 4.385 53.496 1.00 0.00 C ATOM 597 O LEU A 39 -7.832 3.919 54.631 1.00 0.00 O ATOM 598 CB LEU A 39 -9.232 3.845 51.556 1.00 0.00 C ATOM 599 CG LEU A 39 -10.503 4.240 50.790 1.00 0.00 C ATOM 600 CD1 LEU A 39 -10.686 3.291 49.602 1.00 0.00 C ATOM 601 CD2 LEU A 39 -11.731 4.154 51.716 1.00 0.00 C ATOM 0 H LEU A 39 -8.625 6.240 51.152 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.831 4.847 53.373 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.379 3.832 50.878 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.338 2.836 51.955 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.405 5.265 50.434 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.587 3.565 49.053 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.822 3.364 48.942 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.780 2.267 49.965 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.626 4.436 51.161 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.839 3.133 52.083 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.599 4.831 52.560 1.00 0.00 H new ATOM 613 N THR A 40 -6.567 4.519 52.865 1.00 0.00 N ATOM 614 CA THR A 40 -5.279 4.117 53.480 1.00 0.00 C ATOM 615 C THR A 40 -4.588 5.298 54.175 1.00 0.00 C ATOM 616 O THR A 40 -3.479 5.174 54.694 1.00 0.00 O ATOM 617 CB THR A 40 -4.351 3.557 52.401 1.00 0.00 C ATOM 618 OG1 THR A 40 -4.112 4.557 51.420 1.00 0.00 O ATOM 619 CG2 THR A 40 -5.002 2.340 51.744 1.00 0.00 C ATOM 0 H THR A 40 -6.477 4.903 51.924 1.00 0.00 H new ATOM 0 HA THR A 40 -5.491 3.357 54.232 1.00 0.00 H new ATOM 0 HB THR A 40 -3.406 3.258 52.854 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.947 4.759 50.948 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.339 1.943 50.976 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.184 1.574 52.497 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.948 2.634 51.290 1.00 0.00 H new ATOM 627 N GLY A 41 -5.303 6.405 54.247 1.00 0.00 N ATOM 628 CA GLY A 41 -4.825 7.594 54.963 1.00 0.00 C ATOM 629 C GLY A 41 -3.407 8.024 54.592 1.00 0.00 C ATOM 630 O GLY A 41 -2.454 7.692 55.297 1.00 0.00 O ATOM 0 H GLY A 41 -6.222 6.515 53.819 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.506 8.421 54.765 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.864 7.398 56.035 1.00 0.00 H new ATOM 634 N TYR A 42 -3.263 8.769 53.497 1.00 0.00 N ATOM 635 CA TYR A 42 -1.954 9.251 53.048 1.00 0.00 C ATOM 636 C TYR A 42 -1.979 10.782 52.961 1.00 0.00 C ATOM 637 O TYR A 42 -1.180 11.384 52.245 1.00 0.00 O ATOM 638 CB TYR A 42 -1.648 8.648 51.647 1.00 0.00 C ATOM 639 CG TYR A 42 -0.486 7.670 51.723 1.00 0.00 C ATOM 640 CD1 TYR A 42 -0.507 6.629 52.659 1.00 0.00 C ATOM 641 CD2 TYR A 42 0.608 7.815 50.861 1.00 0.00 C ATOM 642 CE1 TYR A 42 0.566 5.733 52.733 1.00 0.00 C ATOM 643 CE2 TYR A 42 1.681 6.918 50.935 1.00 0.00 C ATOM 644 CZ TYR A 42 1.660 5.877 51.871 1.00 0.00 C ATOM 645 OH TYR A 42 2.717 4.994 51.945 1.00 0.00 O ATOM 0 H TYR A 42 -4.040 9.054 52.901 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.181 8.946 53.754 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.533 8.140 51.264 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.411 9.448 50.946 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.351 6.517 53.324 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.624 8.618 50.139 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.550 4.930 53.455 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.525 7.029 50.270 1.00 0.00 H new ATOM 0 HH TYR A 42 3.392 5.235 51.277 1.00 0.00 H new ATOM 655 N LEU A 43 -2.911 11.398 53.681 1.00 0.00 N ATOM 656 CA LEU A 43 -3.062 12.850 53.678 1.00 0.00 C ATOM 657 C LEU A 43 -1.726 13.573 53.826 1.00 0.00 C ATOM 658 O LEU A 43 -1.341 14.381 52.981 1.00 0.00 O ATOM 659 CB LEU A 43 -3.865 13.203 54.938 1.00 0.00 C ATOM 660 CG LEU A 43 -5.253 12.544 54.895 1.00 0.00 C ATOM 661 CD1 LEU A 43 -5.974 12.820 56.219 1.00 0.00 C ATOM 662 CD2 LEU A 43 -6.085 13.112 53.728 1.00 0.00 C ATOM 0 H LEU A 43 -3.578 10.910 54.279 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.528 13.147 52.738 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.326 12.871 55.825 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.972 14.285 55.017 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.135 11.471 54.747 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.960 12.357 56.200 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.394 12.404 57.043 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.081 13.896 56.358 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.064 12.634 53.713 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.208 14.187 53.858 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.572 12.917 52.786 1.00 0.00 H new ATOM 674 N ASP A 44 -1.019 13.252 54.907 1.00 0.00 N ATOM 675 CA ASP A 44 0.287 13.851 55.164 1.00 0.00 C ATOM 676 C ASP A 44 1.287 13.388 54.110 1.00 0.00 C ATOM 677 O ASP A 44 2.130 14.165 53.660 1.00 0.00 O ATOM 678 CB ASP A 44 0.780 13.505 56.569 1.00 0.00 C ATOM 679 CG ASP A 44 2.098 14.214 56.858 1.00 0.00 C ATOM 680 OD1 ASP A 44 2.071 15.414 57.073 1.00 0.00 O ATOM 681 OD2 ASP A 44 3.115 13.540 56.881 1.00 0.00 O ATOM 0 H ASP A 44 -1.326 12.585 55.615 1.00 0.00 H new ATOM 0 HA ASP A 44 0.191 14.935 55.104 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.033 13.798 57.306 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.912 12.427 56.660 1.00 0.00 H new ATOM 686 N TYR A 45 1.208 12.117 53.736 1.00 0.00 N ATOM 687 CA TYR A 45 2.137 11.572 52.752 1.00 0.00 C ATOM 688 C TYR A 45 2.068 12.351 51.438 1.00 0.00 C ATOM 689 O TYR A 45 3.106 12.580 50.827 1.00 0.00 O ATOM 690 CB TYR A 45 1.829 10.086 52.500 1.00 0.00 C ATOM 691 CG TYR A 45 2.458 9.233 53.582 1.00 0.00 C ATOM 692 CD1 TYR A 45 1.767 8.973 54.772 1.00 0.00 C ATOM 693 CD2 TYR A 45 3.737 8.700 53.384 1.00 0.00 C ATOM 694 CE1 TYR A 45 2.356 8.179 55.764 1.00 0.00 C ATOM 695 CE2 TYR A 45 4.325 7.906 54.376 1.00 0.00 C ATOM 696 CZ TYR A 45 3.636 7.645 55.566 1.00 0.00 C ATOM 697 OH TYR A 45 4.216 6.863 56.543 1.00 0.00 O ATOM 0 H TYR A 45 0.521 11.452 54.092 1.00 0.00 H new ATOM 0 HA TYR A 45 3.147 11.667 53.151 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.751 9.928 52.483 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.211 9.788 51.523 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.780 9.385 54.925 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.270 8.901 52.466 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.823 7.978 56.682 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.312 7.494 54.223 1.00 0.00 H new ATOM 0 HH TYR A 45 5.103 6.572 56.245 1.00 0.00 H new ATOM 707 N VAL A 46 0.848 12.713 51.006 1.00 0.00 N ATOM 708 CA VAL A 46 0.616 13.435 49.735 1.00 0.00 C ATOM 709 C VAL A 46 1.892 13.970 49.075 1.00 0.00 C ATOM 710 O VAL A 46 2.084 13.787 47.873 1.00 0.00 O ATOM 711 CB VAL A 46 -0.349 14.598 49.981 1.00 0.00 C ATOM 712 CG1 VAL A 46 0.329 15.663 50.851 1.00 0.00 C ATOM 713 CG2 VAL A 46 -0.756 15.214 48.639 1.00 0.00 C ATOM 0 H VAL A 46 -0.007 12.515 51.525 1.00 0.00 H new ATOM 0 HA VAL A 46 0.194 12.706 49.043 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.235 14.228 50.497 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.363 16.488 51.022 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.614 15.224 51.807 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.219 16.035 50.343 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.443 16.042 48.812 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.131 15.581 48.123 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.246 14.458 48.025 1.00 0.00 H new ATOM 723 N LEU A 47 2.739 14.650 49.826 1.00 0.00 N ATOM 724 CA LEU A 47 3.949 15.215 49.236 1.00 0.00 C ATOM 725 C LEU A 47 4.804 14.133 48.554 1.00 0.00 C ATOM 726 O LEU A 47 5.289 14.324 47.441 1.00 0.00 O ATOM 727 CB LEU A 47 4.788 15.855 50.347 1.00 0.00 C ATOM 728 CG LEU A 47 4.088 17.113 50.889 1.00 0.00 C ATOM 729 CD1 LEU A 47 4.832 17.601 52.137 1.00 0.00 C ATOM 730 CD2 LEU A 47 4.074 18.231 49.821 1.00 0.00 C ATOM 0 H LEU A 47 2.621 14.825 50.824 1.00 0.00 H new ATOM 0 HA LEU A 47 3.650 15.949 48.488 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.941 15.139 51.155 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.774 16.117 49.962 1.00 0.00 H new ATOM 0 HG LEU A 47 3.057 16.865 51.142 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.342 18.493 52.527 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.821 16.819 52.896 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.863 17.839 51.876 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.575 19.112 50.223 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.098 18.487 49.549 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.539 17.883 48.937 1.00 0.00 H new ATOM 742 N LEU A 48 4.997 13.010 49.250 1.00 0.00 N ATOM 743 CA LEU A 48 5.818 11.908 48.720 1.00 0.00 C ATOM 744 C LEU A 48 5.245 11.316 47.406 1.00 0.00 C ATOM 745 O LEU A 48 5.935 11.350 46.387 1.00 0.00 O ATOM 746 CB LEU A 48 6.041 10.824 49.802 1.00 0.00 C ATOM 747 CG LEU A 48 7.365 11.056 50.561 1.00 0.00 C ATOM 748 CD1 LEU A 48 8.576 10.849 49.624 1.00 0.00 C ATOM 749 CD2 LEU A 48 7.386 12.478 51.148 1.00 0.00 C ATOM 0 H LEU A 48 4.602 12.836 50.174 1.00 0.00 H new ATOM 0 HA LEU A 48 6.791 12.323 48.457 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.209 10.833 50.506 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.054 9.839 49.336 1.00 0.00 H new ATOM 0 HG LEU A 48 7.433 10.331 51.372 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.499 11.017 50.179 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.566 9.830 49.237 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.518 11.553 48.794 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.322 12.637 51.683 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.301 13.206 50.341 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.550 12.600 51.836 1.00 0.00 H new ATOM 761 N PRO A 49 4.029 10.813 47.364 1.00 0.00 N ATOM 762 CA PRO A 49 3.440 10.271 46.096 1.00 0.00 C ATOM 763 C PRO A 49 3.627 11.223 44.910 1.00 0.00 C ATOM 764 O PRO A 49 3.676 10.790 43.760 1.00 0.00 O ATOM 765 CB PRO A 49 1.957 10.107 46.436 1.00 0.00 C ATOM 766 CG PRO A 49 1.948 9.827 47.898 1.00 0.00 C ATOM 767 CD PRO A 49 3.085 10.667 48.486 1.00 0.00 C ATOM 0 HA PRO A 49 3.921 9.344 45.785 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.392 11.008 46.199 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.506 9.291 45.871 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.990 10.098 48.343 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.102 8.766 48.095 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.727 11.635 48.837 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.550 10.171 49.338 1.00 0.00 H new ATOM 775 N ALA A 50 3.781 12.512 45.202 1.00 0.00 N ATOM 776 CA ALA A 50 4.021 13.523 44.172 1.00 0.00 C ATOM 777 C ALA A 50 5.371 13.299 43.494 1.00 0.00 C ATOM 778 O ALA A 50 5.527 13.592 42.309 1.00 0.00 O ATOM 779 CB ALA A 50 3.973 14.926 44.786 1.00 0.00 C ATOM 0 H ALA A 50 3.744 12.885 46.151 1.00 0.00 H new ATOM 0 HA ALA A 50 3.237 13.434 43.420 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.153 15.669 44.009 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.992 15.095 45.230 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.740 15.013 45.556 1.00 0.00 H new ATOM 785 N LEU A 51 6.333 12.755 44.225 1.00 0.00 N ATOM 786 CA LEU A 51 7.642 12.482 43.643 1.00 0.00 C ATOM 787 C LEU A 51 7.509 11.436 42.536 1.00 0.00 C ATOM 788 O LEU A 51 8.139 11.529 41.485 1.00 0.00 O ATOM 789 CB LEU A 51 8.603 11.964 44.726 1.00 0.00 C ATOM 790 CG LEU A 51 9.124 13.128 45.593 1.00 0.00 C ATOM 791 CD1 LEU A 51 10.136 13.988 44.812 1.00 0.00 C ATOM 792 CD2 LEU A 51 7.946 14.000 46.044 1.00 0.00 C ATOM 0 H LEU A 51 6.237 12.497 45.207 1.00 0.00 H new ATOM 0 HA LEU A 51 8.040 13.406 43.223 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.091 11.236 45.355 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.442 11.448 44.259 1.00 0.00 H new ATOM 0 HG LEU A 51 9.629 12.710 46.464 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.488 14.802 45.446 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.982 13.371 44.511 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.655 14.401 43.925 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.316 14.822 46.657 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.434 14.401 45.169 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.250 13.397 46.627 1.00 0.00 H new ATOM 804 N ALA A 52 6.654 10.453 42.794 1.00 0.00 N ATOM 805 CA ALA A 52 6.407 9.392 41.820 1.00 0.00 C ATOM 806 C ALA A 52 5.852 9.992 40.529 1.00 0.00 C ATOM 807 O ALA A 52 6.287 9.634 39.435 1.00 0.00 O ATOM 808 CB ALA A 52 5.421 8.370 42.388 1.00 0.00 C ATOM 0 H ALA A 52 6.123 10.367 43.661 1.00 0.00 H new ATOM 0 HA ALA A 52 7.348 8.887 41.603 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.246 7.585 41.652 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.835 7.931 43.296 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.478 8.865 42.622 1.00 0.00 H new ATOM 814 N ILE A 53 4.909 10.920 40.660 1.00 0.00 N ATOM 815 CA ILE A 53 4.336 11.571 39.484 1.00 0.00 C ATOM 816 C ILE A 53 5.406 12.367 38.728 1.00 0.00 C ATOM 817 O ILE A 53 5.532 12.203 37.515 1.00 0.00 O ATOM 818 CB ILE A 53 3.145 12.474 39.883 1.00 0.00 C ATOM 819 CG1 ILE A 53 1.896 11.614 40.183 1.00 0.00 C ATOM 820 CG2 ILE A 53 2.816 13.448 38.742 1.00 0.00 C ATOM 821 CD1 ILE A 53 1.993 10.996 41.578 1.00 0.00 C ATOM 0 H ILE A 53 4.529 11.235 41.553 1.00 0.00 H new ATOM 0 HA ILE A 53 3.959 10.798 38.814 1.00 0.00 H new ATOM 0 HB ILE A 53 3.424 13.034 40.776 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.999 12.229 40.113 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.802 10.826 39.436 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.976 14.079 39.033 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.685 14.073 38.535 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.553 12.884 37.847 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.105 10.394 41.772 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.879 10.364 41.635 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.064 11.789 42.323 1.00 0.00 H new ATOM 833 N PHE A 54 6.176 13.223 39.399 1.00 0.00 N ATOM 834 CA PHE A 54 7.198 13.990 38.687 1.00 0.00 C ATOM 835 C PHE A 54 8.216 13.058 38.031 1.00 0.00 C ATOM 836 O PHE A 54 8.659 13.309 36.912 1.00 0.00 O ATOM 837 CB PHE A 54 7.928 14.938 39.646 1.00 0.00 C ATOM 838 CG PHE A 54 7.039 16.112 39.998 1.00 0.00 C ATOM 839 CD1 PHE A 54 6.711 17.057 39.018 1.00 0.00 C ATOM 840 CD2 PHE A 54 6.552 16.258 41.302 1.00 0.00 C ATOM 841 CE1 PHE A 54 5.897 18.148 39.343 1.00 0.00 C ATOM 842 CE2 PHE A 54 5.739 17.351 41.627 1.00 0.00 C ATOM 843 CZ PHE A 54 5.411 18.296 40.648 1.00 0.00 C ATOM 0 H PHE A 54 6.117 13.400 40.402 1.00 0.00 H new ATOM 0 HA PHE A 54 6.696 14.573 37.915 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.212 14.403 40.552 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.849 15.295 39.185 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.086 16.944 38.012 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.803 15.528 42.057 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.643 18.876 38.587 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.365 17.465 42.634 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.784 19.139 40.899 1.00 0.00 H new ATOM 853 N ILE A 55 8.581 11.983 38.717 1.00 0.00 N ATOM 854 CA ILE A 55 9.542 11.034 38.163 1.00 0.00 C ATOM 855 C ILE A 55 8.914 10.336 36.952 1.00 0.00 C ATOM 856 O ILE A 55 9.550 10.136 35.917 1.00 0.00 O ATOM 857 CB ILE A 55 9.926 9.994 39.261 1.00 0.00 C ATOM 858 CG1 ILE A 55 11.178 10.454 40.045 1.00 0.00 C ATOM 859 CG2 ILE A 55 10.227 8.618 38.641 1.00 0.00 C ATOM 860 CD1 ILE A 55 10.842 11.631 40.966 1.00 0.00 C ATOM 0 H ILE A 55 8.233 11.747 39.646 1.00 0.00 H new ATOM 0 HA ILE A 55 10.445 11.553 37.841 1.00 0.00 H new ATOM 0 HB ILE A 55 9.073 9.916 39.935 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.568 9.625 40.635 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.963 10.745 39.347 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.492 7.914 39.430 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.345 8.256 38.112 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.058 8.708 37.941 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.738 11.937 41.507 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.475 12.466 40.370 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.074 11.328 41.678 1.00 0.00 H new ATOM 872 N GLY A 56 7.643 9.992 37.120 1.00 0.00 N ATOM 873 CA GLY A 56 6.874 9.335 36.070 1.00 0.00 C ATOM 874 C GLY A 56 6.670 10.260 34.872 1.00 0.00 C ATOM 875 O GLY A 56 6.765 9.837 33.721 1.00 0.00 O ATOM 0 H GLY A 56 7.120 10.159 37.980 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.390 8.430 35.750 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.905 9.027 36.464 1.00 0.00 H new ATOM 879 N LEU A 57 6.373 11.523 35.159 1.00 0.00 N ATOM 880 CA LEU A 57 6.130 12.528 34.123 1.00 0.00 C ATOM 881 C LEU A 57 7.394 12.863 33.333 1.00 0.00 C ATOM 882 O LEU A 57 7.322 13.193 32.149 1.00 0.00 O ATOM 883 CB LEU A 57 5.569 13.800 34.771 1.00 0.00 C ATOM 884 CG LEU A 57 5.256 14.865 33.706 1.00 0.00 C ATOM 885 CD1 LEU A 57 4.205 14.338 32.714 1.00 0.00 C ATOM 886 CD2 LEU A 57 4.718 16.119 34.405 1.00 0.00 C ATOM 0 H LEU A 57 6.294 11.881 36.111 1.00 0.00 H new ATOM 0 HA LEU A 57 5.409 12.112 33.419 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.664 13.560 35.329 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.289 14.196 35.487 1.00 0.00 H new ATOM 0 HG LEU A 57 6.166 15.103 33.155 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.994 15.103 31.967 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.586 13.444 32.221 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.289 14.093 33.251 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.492 16.882 33.660 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.811 15.868 34.954 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.468 16.499 35.098 1.00 0.00 H new ATOM 898 N THR A 58 8.549 12.770 33.982 1.00 0.00 N ATOM 899 CA THR A 58 9.808 13.059 33.301 1.00 0.00 C ATOM 900 C THR A 58 10.149 11.947 32.314 1.00 0.00 C ATOM 901 O THR A 58 10.634 12.202 31.215 1.00 0.00 O ATOM 902 CB THR A 58 10.940 13.201 34.327 1.00 0.00 C ATOM 903 OG1 THR A 58 10.991 12.033 35.133 1.00 0.00 O ATOM 904 CG2 THR A 58 10.708 14.438 35.216 1.00 0.00 C ATOM 0 H THR A 58 8.642 12.502 34.962 1.00 0.00 H new ATOM 0 HA THR A 58 9.697 13.995 32.754 1.00 0.00 H new ATOM 0 HB THR A 58 11.886 13.326 33.799 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.129 11.568 35.090 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.520 14.524 35.938 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.679 15.333 34.594 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.761 14.333 35.745 1.00 0.00 H new ATOM 912 N ILE A 59 9.847 10.717 32.718 1.00 0.00 N ATOM 913 CA ILE A 59 10.082 9.553 31.866 1.00 0.00 C ATOM 914 C ILE A 59 9.216 9.649 30.611 1.00 0.00 C ATOM 915 O ILE A 59 9.671 9.339 29.510 1.00 0.00 O ATOM 916 CB ILE A 59 9.784 8.258 32.627 1.00 0.00 C ATOM 917 CG1 ILE A 59 10.827 8.070 33.733 1.00 0.00 C ATOM 918 CG2 ILE A 59 9.847 7.066 31.667 1.00 0.00 C ATOM 919 CD1 ILE A 59 10.386 6.943 34.668 1.00 0.00 C ATOM 0 H ILE A 59 9.440 10.499 33.628 1.00 0.00 H new ATOM 0 HA ILE A 59 11.131 9.538 31.572 1.00 0.00 H new ATOM 0 HB ILE A 59 8.787 8.318 33.064 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.797 7.835 33.296 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.947 8.996 34.295 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.634 6.147 32.213 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.109 7.197 30.876 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.843 7.005 31.228 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.129 6.811 35.454 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.425 7.197 35.116 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.289 6.017 34.101 1.00 0.00 H new ATOM 931 N TYR A 60 7.965 10.053 30.782 1.00 0.00 N ATOM 932 CA TYR A 60 7.038 10.156 29.659 1.00 0.00 C ATOM 933 C TYR A 60 7.659 10.923 28.486 1.00 0.00 C ATOM 934 O TYR A 60 7.396 10.585 27.337 1.00 0.00 O ATOM 935 CB TYR A 60 5.740 10.853 30.119 1.00 0.00 C ATOM 936 CG TYR A 60 4.745 9.834 30.644 1.00 0.00 C ATOM 937 CD1 TYR A 60 5.179 8.796 31.477 1.00 0.00 C ATOM 938 CD2 TYR A 60 3.392 9.938 30.301 1.00 0.00 C ATOM 939 CE1 TYR A 60 4.259 7.861 31.967 1.00 0.00 C ATOM 940 CE2 TYR A 60 2.471 9.003 30.791 1.00 0.00 C ATOM 941 CZ TYR A 60 2.905 7.965 31.624 1.00 0.00 C ATOM 942 OH TYR A 60 1.998 7.044 32.107 1.00 0.00 O ATOM 0 H TYR A 60 7.567 10.315 31.684 1.00 0.00 H new ATOM 0 HA TYR A 60 6.810 9.148 29.313 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.968 11.581 30.897 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.301 11.403 29.286 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.223 8.716 31.742 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.058 10.739 29.658 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.593 7.060 32.609 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.427 9.083 30.526 1.00 0.00 H new ATOM 0 HH TYR A 60 1.102 7.262 31.774 1.00 0.00 H new ATOM 952 N ALA A 61 8.499 11.920 28.746 1.00 0.00 N ATOM 953 CA ALA A 61 9.135 12.641 27.640 1.00 0.00 C ATOM 954 C ALA A 61 10.158 11.756 26.921 1.00 0.00 C ATOM 955 O ALA A 61 10.126 11.660 25.695 1.00 0.00 O ATOM 956 CB ALA A 61 9.826 13.899 28.169 1.00 0.00 C ATOM 0 H ALA A 61 8.752 12.242 29.680 1.00 0.00 H new ATOM 0 HA ALA A 61 8.360 12.921 26.926 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.297 14.431 27.342 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.089 14.547 28.644 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.585 13.618 28.899 1.00 0.00 H new ATOM 962 N ILE A 62 11.099 11.165 27.648 1.00 0.00 N ATOM 963 CA ILE A 62 12.147 10.369 27.004 1.00 0.00 C ATOM 964 C ILE A 62 11.558 9.358 26.011 1.00 0.00 C ATOM 965 O ILE A 62 12.067 9.197 24.902 1.00 0.00 O ATOM 966 CB ILE A 62 12.940 9.607 28.098 1.00 0.00 C ATOM 967 CG1 ILE A 62 13.943 10.553 28.779 1.00 0.00 C ATOM 968 CG2 ILE A 62 13.717 8.428 27.488 1.00 0.00 C ATOM 969 CD1 ILE A 62 13.193 11.646 29.537 1.00 0.00 C ATOM 0 H ILE A 62 11.162 11.217 28.665 1.00 0.00 H new ATOM 0 HA ILE A 62 12.801 11.043 26.451 1.00 0.00 H new ATOM 0 HB ILE A 62 12.224 9.230 28.828 1.00 0.00 H new ATOM 0 HG12 ILE A 62 14.577 9.992 29.465 1.00 0.00 H new ATOM 0 HG13 ILE A 62 14.599 11.001 28.032 1.00 0.00 H new ATOM 0 HG21 ILE A 62 14.266 7.908 28.274 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.018 7.737 27.015 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.418 8.802 26.742 1.00 0.00 H new ATOM 0 HD11 ILE A 62 13.909 12.313 30.017 1.00 0.00 H new ATOM 0 HD12 ILE A 62 12.578 12.215 28.840 1.00 0.00 H new ATOM 0 HD13 ILE A 62 12.556 11.191 30.295 1.00 0.00 H new ATOM 981 N GLN A 63 10.480 8.695 26.410 1.00 0.00 N ATOM 982 CA GLN A 63 9.835 7.722 25.531 1.00 0.00 C ATOM 983 C GLN A 63 9.172 8.418 24.338 1.00 0.00 C ATOM 984 O GLN A 63 9.197 7.903 23.224 1.00 0.00 O ATOM 985 CB GLN A 63 8.794 6.910 26.309 1.00 0.00 C ATOM 986 CG GLN A 63 7.807 7.859 26.991 1.00 0.00 C ATOM 987 CD GLN A 63 6.725 7.068 27.717 1.00 0.00 C ATOM 988 OE1 GLN A 63 6.889 6.743 28.971 1.00 0.00 O flip ATOM 989 NE2 GLN A 63 5.690 6.753 27.128 1.00 0.00 N flip ATOM 0 H GLN A 63 10.038 8.809 27.322 1.00 0.00 H new ATOM 0 HA GLN A 63 10.602 7.047 25.153 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.262 6.240 25.634 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.288 6.286 27.054 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.336 8.497 27.698 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.351 8.515 26.249 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.563 7.007 26.148 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.960 6.238 27.620 1.00 0.00 H new ATOM 998 N ARG A 64 8.610 9.600 24.583 1.00 0.00 N ATOM 999 CA ARG A 64 7.959 10.424 23.558 1.00 0.00 C ATOM 1000 C ARG A 64 9.001 11.179 22.708 1.00 0.00 C ATOM 1001 O ARG A 64 8.713 11.669 21.620 1.00 0.00 O ATOM 1002 CB ARG A 64 6.992 11.429 24.232 1.00 0.00 C ATOM 1003 CG ARG A 64 5.719 11.633 23.382 1.00 0.00 C ATOM 1004 CD ARG A 64 6.063 12.336 22.067 1.00 0.00 C ATOM 1005 NE ARG A 64 4.877 12.963 21.495 1.00 0.00 N ATOM 1006 CZ ARG A 64 4.980 13.816 20.481 1.00 0.00 C ATOM 1007 NH1 ARG A 64 6.157 14.192 20.063 1.00 0.00 N ATOM 1008 NH2 ARG A 64 3.904 14.277 19.905 1.00 0.00 N ATOM 0 H ARG A 64 8.592 10.021 25.512 1.00 0.00 H new ATOM 0 HA ARG A 64 7.396 9.767 22.895 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.717 11.065 25.222 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.496 12.385 24.372 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.253 10.669 23.176 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.993 12.225 23.939 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.831 13.089 22.241 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.477 11.616 21.361 1.00 0.00 H new ATOM 0 HE ARG A 64 3.957 12.744 21.878 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.998 13.831 20.514 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.237 14.847 19.285 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.984 13.983 20.233 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.983 14.932 19.127 1.00 0.00 H new ATOM 1022 N LYS A 65 10.198 11.306 23.269 1.00 0.00 N ATOM 1023 CA LYS A 65 11.311 12.045 22.658 1.00 0.00 C ATOM 1024 C LYS A 65 11.974 11.365 21.440 1.00 0.00 C ATOM 1025 O LYS A 65 12.323 12.021 20.458 1.00 0.00 O ATOM 1026 CB LYS A 65 12.395 12.211 23.730 1.00 0.00 C ATOM 1027 CG LYS A 65 13.524 13.107 23.207 1.00 0.00 C ATOM 1028 CD LYS A 65 14.552 13.331 24.319 1.00 0.00 C ATOM 1029 CE LYS A 65 15.643 14.280 23.822 1.00 0.00 C ATOM 1030 NZ LYS A 65 16.371 13.649 22.685 1.00 0.00 N ATOM 0 H LYS A 65 10.432 10.895 24.173 1.00 0.00 H new ATOM 0 HA LYS A 65 10.887 12.980 22.292 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.962 12.647 24.631 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.794 11.236 24.008 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.001 12.643 22.344 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.120 14.062 22.873 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.065 13.749 25.200 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.992 12.380 24.619 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.201 15.225 23.505 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.337 14.508 24.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.289 14.121 22.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.525 12.641 22.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.807 13.745 21.816 1.00 0.00 H new ATOM 1044 N ARG A 66 12.040 10.036 21.490 1.00 0.00 N ATOM 1045 CA ARG A 66 12.557 9.306 20.316 1.00 0.00 C ATOM 1046 C ARG A 66 11.446 9.260 19.260 1.00 0.00 C ATOM 1047 O ARG A 66 11.604 9.760 18.147 1.00 0.00 O ATOM 1048 CB ARG A 66 12.981 7.889 20.715 1.00 0.00 C ATOM 1049 CG ARG A 66 13.717 7.207 19.551 1.00 0.00 C ATOM 1050 CD ARG A 66 15.041 7.933 19.243 1.00 0.00 C ATOM 1051 NE ARG A 66 14.839 8.910 18.179 1.00 0.00 N ATOM 1052 CZ ARG A 66 15.810 9.740 17.813 1.00 0.00 C ATOM 1053 NH1 ARG A 66 16.953 9.728 18.444 1.00 0.00 N ATOM 1054 NH2 ARG A 66 15.621 10.570 16.824 1.00 0.00 N ATOM 0 H ARG A 66 11.760 9.459 22.283 1.00 0.00 H new ATOM 0 HA ARG A 66 13.434 9.812 19.912 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.629 7.929 21.591 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.104 7.304 20.993 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.918 6.165 19.802 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.083 7.205 18.664 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.409 8.431 20.140 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.801 7.210 18.945 1.00 0.00 H new ATOM 0 HE ARG A 66 13.936 8.957 17.707 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.101 9.081 19.219 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.698 10.365 18.162 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.728 10.582 16.332 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.367 11.207 16.543 1.00 0.00 H new ATOM 1068 N GLN A 67 10.334 8.651 19.633 1.00 0.00 N ATOM 1069 CA GLN A 67 9.181 8.516 18.740 1.00 0.00 C ATOM 1070 C GLN A 67 8.681 9.891 18.302 1.00 0.00 C ATOM 1071 O GLN A 67 7.816 10.013 17.437 1.00 0.00 O ATOM 1072 CB GLN A 67 8.055 7.759 19.438 1.00 0.00 C ATOM 1073 CG GLN A 67 7.590 8.556 20.643 1.00 0.00 C ATOM 1074 CD GLN A 67 6.599 7.730 21.456 1.00 0.00 C ATOM 1075 OE1 GLN A 67 6.970 6.720 22.055 1.00 0.00 O ATOM 1076 NE2 GLN A 67 5.344 8.083 21.481 1.00 0.00 N ATOM 0 H GLN A 67 10.198 8.237 20.555 1.00 0.00 H new ATOM 0 HA GLN A 67 9.495 7.956 17.859 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.225 7.601 18.749 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.402 6.774 19.750 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.445 8.829 21.262 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.123 9.485 20.318 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.040 8.920 20.984 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.667 7.522 21.998 1.00 0.00 H new ATOM 1085 N ALA A 68 9.194 10.911 18.984 1.00 0.00 N ATOM 1086 CA ALA A 68 8.752 12.289 18.747 1.00 0.00 C ATOM 1087 C ALA A 68 8.621 12.514 17.239 1.00 0.00 C ATOM 1088 O ALA A 68 7.672 13.143 16.770 1.00 0.00 O ATOM 1089 CB ALA A 68 9.799 13.264 19.302 1.00 0.00 C ATOM 0 H ALA A 68 9.912 10.815 19.702 1.00 0.00 H new ATOM 0 HA ALA A 68 7.794 12.457 19.240 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.471 14.289 19.126 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.918 13.100 20.373 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.753 13.097 18.802 1.00 0.00 H new ATOM 1095 N ASP A 69 9.542 11.916 16.490 1.00 0.00 N ATOM 1096 CA ASP A 69 9.471 11.978 15.036 1.00 0.00 C ATOM 1097 C ASP A 69 8.130 11.402 14.592 1.00 0.00 C ATOM 1098 O ASP A 69 7.356 12.069 13.906 1.00 0.00 O ATOM 1099 CB ASP A 69 10.583 11.101 14.455 1.00 0.00 C ATOM 1100 CG ASP A 69 10.540 11.150 12.932 1.00 0.00 C ATOM 1101 OD1 ASP A 69 9.603 11.726 12.405 1.00 0.00 O ATOM 1102 OD2 ASP A 69 11.435 10.598 12.314 1.00 0.00 O ATOM 0 H ASP A 69 10.335 11.391 16.859 1.00 0.00 H new ATOM 0 HA ASP A 69 9.579 13.008 14.696 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.554 11.446 14.811 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.464 10.073 14.798 1.00 0.00 H new ATOM 1107 N ALA A 70 7.860 10.161 14.985 1.00 0.00 N ATOM 1108 CA ALA A 70 6.608 9.510 14.617 1.00 0.00 C ATOM 1109 C ALA A 70 5.413 10.272 15.183 1.00 0.00 C ATOM 1110 O ALA A 70 4.383 10.409 14.522 1.00 0.00 O ATOM 1111 CB ALA A 70 6.593 8.074 15.146 1.00 0.00 C ATOM 0 H ALA A 70 8.486 9.590 15.553 1.00 0.00 H new ATOM 0 HA ALA A 70 6.534 9.502 13.530 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.655 7.593 14.868 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.427 7.519 14.716 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.687 8.085 16.232 1.00 0.00 H new ATOM 1117 N SER A 71 5.554 10.761 16.410 1.00 0.00 N ATOM 1118 CA SER A 71 4.479 11.501 17.059 1.00 0.00 C ATOM 1119 C SER A 71 3.263 10.602 17.258 1.00 0.00 C ATOM 1120 O SER A 71 2.121 11.050 17.158 1.00 0.00 O ATOM 1121 CB SER A 71 4.093 12.715 16.212 1.00 0.00 C ATOM 1122 OG SER A 71 3.392 13.649 17.023 1.00 0.00 O ATOM 0 H SER A 71 6.398 10.659 16.973 1.00 0.00 H new ATOM 0 HA SER A 71 4.829 11.842 18.033 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.986 13.179 15.792 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.470 12.405 15.373 1.00 0.00 H new ATOM 0 HG SER A 71 2.611 13.213 17.424 1.00 0.00 H new ATOM 1128 N SER A 72 3.521 9.327 17.539 1.00 0.00 N ATOM 1129 CA SER A 72 2.444 8.364 17.750 1.00 0.00 C ATOM 1130 C SER A 72 2.934 7.187 18.589 1.00 0.00 C ATOM 1131 O SER A 72 4.138 6.982 18.745 1.00 0.00 O ATOM 1132 CB SER A 72 1.934 7.852 16.403 1.00 0.00 C ATOM 1133 OG SER A 72 2.951 7.079 15.779 1.00 0.00 O ATOM 0 H SER A 72 4.460 8.939 17.625 1.00 0.00 H new ATOM 0 HA SER A 72 1.634 8.863 18.282 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.038 7.248 16.546 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.655 8.690 15.764 1.00 0.00 H new ATOM 0 HG SER A 72 2.627 6.748 14.916 1.00 0.00 H new ATOM 1139 N THR A 73 1.990 6.414 19.128 1.00 0.00 N ATOM 1140 CA THR A 73 2.322 5.251 19.955 1.00 0.00 C ATOM 1141 C THR A 73 1.514 4.030 19.495 1.00 0.00 C ATOM 1142 O THR A 73 0.339 4.162 19.152 1.00 0.00 O ATOM 1143 CB THR A 73 2.004 5.548 21.423 1.00 0.00 C ATOM 1144 OG1 THR A 73 2.324 4.413 22.215 1.00 0.00 O ATOM 1145 CG2 THR A 73 0.516 5.876 21.574 1.00 0.00 C ATOM 0 H THR A 73 0.989 6.572 19.007 1.00 0.00 H new ATOM 0 HA THR A 73 3.386 5.038 19.850 1.00 0.00 H new ATOM 0 HB THR A 73 2.595 6.402 21.755 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.122 4.603 23.155 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.294 6.087 22.620 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.273 6.749 20.969 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.080 5.026 21.241 1.00 0.00 H new ATOM 1153 N PRO A 74 2.104 2.852 19.466 1.00 0.00 N ATOM 1154 CA PRO A 74 1.389 1.615 19.020 1.00 0.00 C ATOM 1155 C PRO A 74 0.339 1.161 20.035 1.00 0.00 C ATOM 1156 O PRO A 74 0.467 1.418 21.232 1.00 0.00 O ATOM 1157 CB PRO A 74 2.518 0.585 18.878 1.00 0.00 C ATOM 1158 CG PRO A 74 3.554 1.028 19.856 1.00 0.00 C ATOM 1159 CD PRO A 74 3.498 2.555 19.857 1.00 0.00 C ATOM 0 HA PRO A 74 0.829 1.765 18.097 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.167 -0.422 19.101 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.913 0.567 17.862 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.350 0.628 20.849 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.543 0.673 19.566 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.735 2.964 20.839 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.212 2.983 19.153 1.00 0.00 H new ATOM 1167 N LYS A 75 -0.695 0.485 19.543 1.00 0.00 N ATOM 1168 CA LYS A 75 -1.768 -0.005 20.407 1.00 0.00 C ATOM 1169 C LYS A 75 -1.440 -1.401 20.927 1.00 0.00 C ATOM 1170 O LYS A 75 -2.187 -1.968 21.723 1.00 0.00 O ATOM 1171 CB LYS A 75 -3.083 -0.051 19.625 1.00 0.00 C ATOM 1172 CG LYS A 75 -3.480 1.371 19.214 1.00 0.00 C ATOM 1173 CD LYS A 75 -4.895 1.383 18.619 1.00 0.00 C ATOM 1174 CE LYS A 75 -4.897 0.728 17.233 1.00 0.00 C ATOM 1175 NZ LYS A 75 -6.234 0.917 16.601 1.00 0.00 N ATOM 0 H LYS A 75 -0.814 0.264 18.554 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.868 0.674 21.254 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.972 -0.679 18.741 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.867 -0.497 20.237 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.438 2.031 20.080 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.769 1.757 18.484 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.579 0.851 19.280 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.256 2.409 18.544 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.121 1.170 16.608 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.670 -0.335 17.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.239 0.474 15.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.964 0.476 17.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.432 1.933 16.506 1.00 0.00 H new ATOM 1189 N PHE A 76 -0.319 -1.950 20.466 1.00 0.00 N ATOM 1190 CA PHE A 76 0.097 -3.283 20.888 1.00 0.00 C ATOM 1191 C PHE A 76 -1.007 -4.296 20.604 1.00 0.00 C ATOM 1192 O PHE A 76 -2.051 -3.949 20.053 1.00 0.00 O ATOM 1193 CB PHE A 76 0.414 -3.285 22.385 1.00 0.00 C ATOM 1194 CG PHE A 76 1.491 -2.270 22.681 1.00 0.00 C ATOM 1195 CD1 PHE A 76 2.840 -2.612 22.530 1.00 0.00 C ATOM 1196 CD2 PHE A 76 1.138 -0.985 23.112 1.00 0.00 C ATOM 1197 CE1 PHE A 76 3.837 -1.669 22.809 1.00 0.00 C ATOM 1198 CE2 PHE A 76 2.135 -0.043 23.391 1.00 0.00 C ATOM 1199 CZ PHE A 76 3.484 -0.385 23.240 1.00 0.00 C ATOM 0 H PHE A 76 0.312 -1.496 19.806 1.00 0.00 H new ATOM 0 HA PHE A 76 0.990 -3.559 20.328 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.485 -3.053 22.957 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.741 -4.277 22.695 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.112 -3.603 22.198 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.097 -0.721 23.229 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.878 -1.932 22.692 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.863 0.948 23.723 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.253 0.342 23.456 1.00 0.00 H new ATOM 1209 N ASN A 77 -0.772 -5.548 20.988 1.00 0.00 N ATOM 1210 CA ASN A 77 -1.760 -6.599 20.773 1.00 0.00 C ATOM 1211 C ASN A 77 -2.152 -6.676 19.301 1.00 0.00 C ATOM 1212 O ASN A 77 -2.822 -5.785 18.780 1.00 0.00 O ATOM 1213 CB ASN A 77 -3.004 -6.327 21.624 1.00 0.00 C ATOM 1214 CG ASN A 77 -2.617 -6.257 23.097 1.00 0.00 C ATOM 1215 OD1 ASN A 77 -1.844 -7.086 23.577 1.00 0.00 O ATOM 1216 ND2 ASN A 77 -3.105 -5.306 23.846 1.00 0.00 N ATOM 0 H ASN A 77 0.086 -5.857 21.445 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.320 -7.552 21.067 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.469 -5.391 21.316 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.741 -7.115 21.469 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.846 -5.249 24.831 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.745 -4.620 23.446 1.00 0.00 H new ATOM 1223 N GLY A 78 -1.728 -7.745 18.634 1.00 0.00 N ATOM 1224 CA GLY A 78 -2.039 -7.921 17.220 1.00 0.00 C ATOM 1225 C GLY A 78 -3.546 -7.975 16.999 1.00 0.00 C ATOM 1226 O GLY A 78 -4.062 -7.410 16.035 1.00 0.00 O ATOM 0 H GLY A 78 -1.173 -8.496 19.045 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.612 -7.100 16.644 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.580 -8.839 16.854 1.00 0.00 H new ATOM 1230 N VAL A 79 -4.253 -8.656 17.901 1.00 0.00 N ATOM 1231 CA VAL A 79 -5.708 -8.777 17.801 1.00 0.00 C ATOM 1232 C VAL A 79 -6.342 -8.727 19.187 1.00 0.00 C ATOM 1233 O VAL A 79 -5.853 -9.353 20.127 1.00 0.00 O ATOM 1234 CB VAL A 79 -6.078 -10.093 17.117 1.00 0.00 C ATOM 1235 CG1 VAL A 79 -5.569 -11.266 17.956 1.00 0.00 C ATOM 1236 CG2 VAL A 79 -7.599 -10.187 16.982 1.00 0.00 C ATOM 0 H VAL A 79 -3.844 -9.131 18.706 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.084 -7.943 17.208 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.621 -10.128 16.128 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.833 -12.204 17.468 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.485 -11.200 18.054 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.025 -11.231 18.945 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.864 -11.125 16.494 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.055 -10.151 17.971 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.964 -9.352 16.384 1.00 0.00 H new ATOM 1246 N LYS A 80 -7.435 -7.980 19.306 1.00 0.00 N ATOM 1247 CA LYS A 80 -8.130 -7.856 20.582 1.00 0.00 C ATOM 1248 C LYS A 80 -8.667 -9.210 21.034 1.00 0.00 C ATOM 1249 O LYS A 80 -8.621 -9.542 22.219 1.00 0.00 O ATOM 1250 CB LYS A 80 -9.285 -6.861 20.453 1.00 0.00 C ATOM 1251 CG LYS A 80 -8.723 -5.448 20.280 1.00 0.00 C ATOM 1252 CD LYS A 80 -9.876 -4.451 20.150 1.00 0.00 C ATOM 1253 CE LYS A 80 -9.312 -3.039 19.984 1.00 0.00 C ATOM 1254 NZ LYS A 80 -10.434 -2.068 19.850 1.00 0.00 N ATOM 0 H LYS A 80 -7.856 -7.455 18.540 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.422 -7.494 21.327 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.911 -7.122 19.600 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.919 -6.906 21.339 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.098 -5.187 21.134 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.089 -5.404 19.395 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.499 -4.708 19.293 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.513 -4.498 21.033 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.693 -2.780 20.843 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.670 -2.993 19.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.051 -1.108 19.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.007 -2.312 19.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.029 -2.105 20.702 1.00 0.00 H new ATOM 1268 N LYS A 81 -9.180 -9.985 20.085 1.00 0.00 N ATOM 1269 CA LYS A 81 -9.726 -11.301 20.398 1.00 0.00 C ATOM 1270 C LYS A 81 -10.003 -12.079 19.115 1.00 0.00 C ATOM 1271 O LYS A 81 -10.344 -11.451 18.126 1.00 0.00 O ATOM 1272 CB LYS A 81 -11.020 -11.146 21.203 1.00 0.00 C ATOM 1273 CG LYS A 81 -11.573 -12.526 21.575 1.00 0.00 C ATOM 1274 CD LYS A 81 -12.837 -12.357 22.420 1.00 0.00 C ATOM 1275 CE LYS A 81 -13.424 -13.732 22.742 1.00 0.00 C ATOM 1276 NZ LYS A 81 -12.448 -14.512 23.552 1.00 0.00 N ATOM 1277 OXT LYS A 81 -9.869 -13.292 19.141 1.00 0.00 O ATOM 0 H LYS A 81 -9.229 -9.728 19.099 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.997 -11.853 20.991 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.829 -10.566 22.106 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.757 -10.595 20.620 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.799 -13.095 20.673 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.825 -13.092 22.130 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.602 -11.825 23.342 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.569 -11.754 21.882 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.360 -13.620 23.289 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.656 -14.265 21.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.938 -15.299 24.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.705 -14.890 22.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.018 -13.893 24.269 1.00 0.00 H new TER 1291 LYS A 81