USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 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 ASP N :NH3+ -117:sc= 0.0773 (180deg=0.000932) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -6:sc= -8.23! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -13.1! C(o=-13!,f=-16!) USER MOD Single : A 23 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 166:sc= -0.0019 (180deg=-0.552) USER MOD Single : A 31 ASN : amide:sc= 0.365 X(o=0.37,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.021) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.762 13.301 2.141 1.00 0.00 N ATOM 2 CA ASP A 1 -7.360 11.962 1.875 1.00 0.00 C ATOM 3 C ASP A 1 -6.244 10.936 1.676 1.00 0.00 C ATOM 4 O ASP A 1 -5.114 11.279 1.392 1.00 0.00 O ATOM 5 CB ASP A 1 -8.223 12.027 0.611 1.00 0.00 C ATOM 6 CG ASP A 1 -7.322 12.109 -0.624 1.00 0.00 C ATOM 7 OD1 ASP A 1 -6.839 13.191 -0.910 1.00 0.00 O ATOM 8 OD2 ASP A 1 -7.132 11.086 -1.262 1.00 0.00 O ATOM 0 H1 ASP A 1 -7.033 13.619 3.093 1.00 0.00 H new ATOM 0 H2 ASP A 1 -5.726 13.237 2.079 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.109 13.983 1.436 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.979 11.668 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.862 11.146 0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.881 12.895 0.652 1.00 0.00 H new ATOM 15 N SER A 2 -6.555 9.677 1.819 1.00 0.00 N ATOM 16 CA SER A 2 -5.515 8.626 1.635 1.00 0.00 C ATOM 17 C SER A 2 -6.046 7.549 0.693 1.00 0.00 C ATOM 18 O SER A 2 -7.218 7.228 0.694 1.00 0.00 O ATOM 19 CB SER A 2 -5.179 7.996 2.986 1.00 0.00 C ATOM 20 OG SER A 2 -6.077 6.925 3.243 1.00 0.00 O ATOM 0 H SER A 2 -7.485 9.331 2.055 1.00 0.00 H new ATOM 0 HA SER A 2 -4.617 9.075 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.152 7.632 2.984 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.251 8.743 3.776 1.00 0.00 H new ATOM 0 HG SER A 2 -5.862 6.518 4.108 1.00 0.00 H new ATOM 26 N ILE A 3 -5.192 6.984 -0.113 1.00 0.00 N ATOM 27 CA ILE A 3 -5.641 5.932 -1.050 1.00 0.00 C ATOM 28 C ILE A 3 -5.474 4.564 -0.387 1.00 0.00 C ATOM 29 O ILE A 3 -4.528 4.326 0.333 1.00 0.00 O ATOM 30 CB ILE A 3 -4.791 5.982 -2.323 1.00 0.00 C ATOM 31 CG1 ILE A 3 -5.086 7.263 -3.099 1.00 0.00 C ATOM 32 CG2 ILE A 3 -5.112 4.776 -3.209 1.00 0.00 C ATOM 33 CD1 ILE A 3 -4.329 7.228 -4.427 1.00 0.00 C ATOM 0 H ILE A 3 -4.199 7.210 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.688 6.095 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.738 5.962 -2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.157 7.356 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.784 8.134 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.505 4.817 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.893 3.857 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.168 4.794 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.535 8.140 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.259 7.154 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.653 6.364 -5.008 1.00 0.00 H new ATOM 45 N THR A 4 -6.375 3.660 -0.634 1.00 0.00 N ATOM 46 CA THR A 4 -6.256 2.304 -0.034 1.00 0.00 C ATOM 47 C THR A 4 -6.461 1.274 -1.138 1.00 0.00 C ATOM 48 O THR A 4 -7.529 1.177 -1.711 1.00 0.00 O ATOM 49 CB THR A 4 -7.320 2.118 1.048 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.624 3.376 1.634 1.00 0.00 O ATOM 51 CG2 THR A 4 -6.794 1.164 2.124 1.00 0.00 C ATOM 0 H THR A 4 -7.192 3.801 -1.228 1.00 0.00 H new ATOM 0 HA THR A 4 -5.273 2.181 0.420 1.00 0.00 H new ATOM 0 HB THR A 4 -8.222 1.698 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.307 3.258 2.327 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.553 1.032 2.895 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.563 0.199 1.673 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.892 1.581 2.571 1.00 0.00 H new ATOM 59 N TYR A 5 -5.451 0.518 -1.466 1.00 0.00 N ATOM 60 CA TYR A 5 -5.613 -0.479 -2.558 1.00 0.00 C ATOM 61 C TYR A 5 -5.429 -1.890 -2.024 1.00 0.00 C ATOM 62 O TYR A 5 -4.516 -2.177 -1.281 1.00 0.00 O ATOM 63 CB TYR A 5 -4.607 -0.173 -3.671 1.00 0.00 C ATOM 64 CG TYR A 5 -3.327 -0.972 -3.538 1.00 0.00 C ATOM 65 CD1 TYR A 5 -3.288 -2.337 -3.867 1.00 0.00 C ATOM 66 CD2 TYR A 5 -2.150 -0.321 -3.146 1.00 0.00 C ATOM 67 CE1 TYR A 5 -2.088 -3.035 -3.797 1.00 0.00 C ATOM 68 CE2 TYR A 5 -0.944 -1.026 -3.090 1.00 0.00 C ATOM 69 CZ TYR A 5 -0.916 -2.383 -3.416 1.00 0.00 C ATOM 70 OH TYR A 5 0.269 -3.079 -3.372 1.00 0.00 O ATOM 0 H TYR A 5 -4.529 0.547 -1.030 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.622 -0.413 -2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.065 -0.386 -4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.369 0.891 -3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.191 -2.844 -4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.174 0.727 -2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.063 -4.087 -4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.036 -0.522 -2.795 1.00 0.00 H new ATOM 0 HH TYR A 5 0.097 -4.029 -3.541 1.00 0.00 H new ATOM 80 N ARG A 6 -6.301 -2.781 -2.403 1.00 0.00 N ATOM 81 CA ARG A 6 -6.181 -4.177 -1.922 1.00 0.00 C ATOM 82 C ARG A 6 -5.241 -4.939 -2.840 1.00 0.00 C ATOM 83 O ARG A 6 -5.442 -5.028 -4.036 1.00 0.00 O ATOM 84 CB ARG A 6 -7.555 -4.845 -1.910 1.00 0.00 C ATOM 85 CG ARG A 6 -8.447 -4.158 -0.875 1.00 0.00 C ATOM 86 CD ARG A 6 -8.326 -4.884 0.466 1.00 0.00 C ATOM 87 NE ARG A 6 -9.677 -5.322 0.915 1.00 0.00 N ATOM 88 CZ ARG A 6 -10.270 -4.702 1.898 1.00 0.00 C ATOM 89 NH1 ARG A 6 -11.251 -3.877 1.650 1.00 0.00 N ATOM 90 NH2 ARG A 6 -9.882 -4.906 3.127 1.00 0.00 N ATOM 0 H ARG A 6 -7.089 -2.600 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.783 -4.181 -0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.011 -4.781 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.454 -5.904 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.154 -3.114 -0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.484 -4.164 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.666 -5.746 0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.879 -4.225 1.210 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.138 -6.106 0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.553 -3.718 0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.716 -3.392 2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.115 -5.550 3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.346 -4.421 3.895 1.00 0.00 H new ATOM 104 N VAL A 7 -4.208 -5.479 -2.279 1.00 0.00 N ATOM 105 CA VAL A 7 -3.222 -6.233 -3.082 1.00 0.00 C ATOM 106 C VAL A 7 -3.778 -7.623 -3.371 1.00 0.00 C ATOM 107 O VAL A 7 -3.906 -8.441 -2.494 1.00 0.00 O ATOM 108 CB VAL A 7 -1.941 -6.334 -2.263 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.774 -6.744 -3.153 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.644 -4.967 -1.652 1.00 0.00 C ATOM 0 H VAL A 7 -4.001 -5.429 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.019 -5.735 -4.030 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.071 -7.084 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.134 -6.812 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.984 -7.713 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.636 -6.000 -3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.729 -5.023 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.518 -4.232 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.472 -4.668 -1.009 1.00 0.00 H new ATOM 120 N ARG A 8 -4.109 -7.887 -4.599 1.00 0.00 N ATOM 121 CA ARG A 8 -4.665 -9.222 -4.958 1.00 0.00 C ATOM 122 C ARG A 8 -3.564 -10.070 -5.588 1.00 0.00 C ATOM 123 O ARG A 8 -2.558 -9.557 -6.024 1.00 0.00 O ATOM 124 CB ARG A 8 -5.811 -9.047 -5.954 1.00 0.00 C ATOM 125 CG ARG A 8 -7.124 -9.472 -5.295 1.00 0.00 C ATOM 126 CD ARG A 8 -8.162 -9.788 -6.373 1.00 0.00 C ATOM 127 NE ARG A 8 -7.610 -10.802 -7.315 1.00 0.00 N ATOM 128 CZ ARG A 8 -7.935 -12.060 -7.186 1.00 0.00 C ATOM 129 NH1 ARG A 8 -8.642 -12.647 -8.111 1.00 0.00 N ATOM 130 NH2 ARG A 8 -7.552 -12.730 -6.134 1.00 0.00 N ATOM 0 H ARG A 8 -4.019 -7.233 -5.377 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.040 -9.717 -4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.872 -8.007 -6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.628 -9.647 -6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.960 -10.347 -4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.490 -8.677 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.076 -10.163 -5.913 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.427 -8.880 -6.914 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.978 -10.513 -8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.940 -12.124 -8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.897 -13.630 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.998 -12.271 -5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.807 -13.713 -6.035 1.00 0.00 H new ATOM 144 N LYS A 9 -3.733 -11.366 -5.631 1.00 0.00 N ATOM 145 CA LYS A 9 -2.672 -12.218 -6.237 1.00 0.00 C ATOM 146 C LYS A 9 -2.374 -11.711 -7.648 1.00 0.00 C ATOM 147 O LYS A 9 -3.261 -11.305 -8.376 1.00 0.00 O ATOM 148 CB LYS A 9 -3.137 -13.675 -6.300 1.00 0.00 C ATOM 149 CG LYS A 9 -4.402 -13.785 -7.158 1.00 0.00 C ATOM 150 CD LYS A 9 -4.180 -14.821 -8.263 1.00 0.00 C ATOM 151 CE LYS A 9 -4.009 -14.109 -9.609 1.00 0.00 C ATOM 152 NZ LYS A 9 -2.607 -14.278 -10.085 1.00 0.00 N ATOM 0 H LYS A 9 -4.549 -11.865 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.771 -12.165 -5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.348 -14.299 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.336 -14.046 -5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.251 -14.075 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.643 -12.816 -7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.296 -15.419 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.026 -15.507 -8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.705 -14.519 -10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.244 -13.050 -9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.490 -13.795 -10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.952 -13.867 -9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.399 -15.291 -10.200 1.00 0.00 H new ATOM 166 N GLY A 10 -1.131 -11.703 -8.032 1.00 0.00 N ATOM 167 CA GLY A 10 -0.774 -11.196 -9.387 1.00 0.00 C ATOM 168 C GLY A 10 -0.620 -9.667 -9.347 1.00 0.00 C ATOM 169 O GLY A 10 -0.202 -9.057 -10.310 1.00 0.00 O ATOM 0 H GLY A 10 -0.345 -12.025 -7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.155 -11.656 -9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.546 -11.474 -10.104 1.00 0.00 H new ATOM 173 N ASP A 11 -0.954 -9.039 -8.244 1.00 0.00 N ATOM 174 CA ASP A 11 -0.821 -7.558 -8.161 1.00 0.00 C ATOM 175 C ASP A 11 0.594 -7.211 -7.712 1.00 0.00 C ATOM 176 O ASP A 11 1.145 -7.836 -6.829 1.00 0.00 O ATOM 177 CB ASP A 11 -1.821 -6.997 -7.146 1.00 0.00 C ATOM 178 CG ASP A 11 -3.239 -7.052 -7.723 1.00 0.00 C ATOM 179 OD1 ASP A 11 -3.496 -7.919 -8.542 1.00 0.00 O ATOM 180 OD2 ASP A 11 -4.046 -6.226 -7.329 1.00 0.00 O ATOM 0 H ASP A 11 -1.312 -9.491 -7.402 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.023 -7.123 -9.140 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.773 -7.571 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.560 -5.968 -6.897 1.00 0.00 H new ATOM 185 N SER A 12 1.186 -6.215 -8.304 1.00 0.00 N ATOM 186 CA SER A 12 2.562 -5.826 -7.901 1.00 0.00 C ATOM 187 C SER A 12 2.506 -4.460 -7.228 1.00 0.00 C ATOM 188 O SER A 12 1.817 -3.578 -7.675 1.00 0.00 O ATOM 189 CB SER A 12 3.458 -5.756 -9.136 1.00 0.00 C ATOM 190 OG SER A 12 4.286 -6.912 -9.183 1.00 0.00 O ATOM 0 H SER A 12 0.776 -5.653 -9.050 1.00 0.00 H new ATOM 0 HA SER A 12 2.970 -6.563 -7.209 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.849 -5.694 -10.038 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.072 -4.856 -9.103 1.00 0.00 H new ATOM 0 HG SER A 12 4.861 -6.871 -9.976 1.00 0.00 H new ATOM 196 N LEU A 13 3.227 -4.283 -6.162 1.00 0.00 N ATOM 197 CA LEU A 13 3.223 -2.970 -5.446 1.00 0.00 C ATOM 198 C LEU A 13 3.476 -1.849 -6.452 1.00 0.00 C ATOM 199 O LEU A 13 2.668 -0.946 -6.600 1.00 0.00 O ATOM 200 CB LEU A 13 4.323 -3.002 -4.383 1.00 0.00 C ATOM 201 CG LEU A 13 3.811 -3.720 -3.120 1.00 0.00 C ATOM 202 CD1 LEU A 13 2.794 -2.844 -2.409 1.00 0.00 C ATOM 203 CD2 LEU A 13 3.126 -5.041 -3.482 1.00 0.00 C ATOM 0 H LEU A 13 3.827 -4.996 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 13 2.261 -2.791 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.202 -3.515 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.631 -1.986 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 13 4.669 -3.917 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.434 -3.355 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.262 -1.902 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.955 -2.645 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.773 -5.529 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.280 -4.844 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.837 -5.692 -3.991 1.00 0.00 H new ATOM 215 N SER A 14 4.565 -1.906 -7.161 1.00 0.00 N ATOM 216 CA SER A 14 4.846 -0.845 -8.164 1.00 0.00 C ATOM 217 C SER A 14 3.730 -0.824 -9.224 1.00 0.00 C ATOM 218 O SER A 14 3.268 0.225 -9.638 1.00 0.00 O ATOM 219 CB SER A 14 6.187 -1.124 -8.840 1.00 0.00 C ATOM 220 OG SER A 14 7.192 -0.317 -8.241 1.00 0.00 O ATOM 0 H SER A 14 5.271 -2.639 -7.090 1.00 0.00 H new ATOM 0 HA SER A 14 4.886 0.122 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.445 -2.179 -8.741 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.121 -0.910 -9.907 1.00 0.00 H new ATOM 0 HG SER A 14 8.054 -0.495 -8.672 1.00 0.00 H new ATOM 226 N SER A 15 3.297 -1.981 -9.666 1.00 0.00 N ATOM 227 CA SER A 15 2.215 -2.043 -10.698 1.00 0.00 C ATOM 228 C SER A 15 0.974 -1.321 -10.188 1.00 0.00 C ATOM 229 O SER A 15 0.383 -0.511 -10.873 1.00 0.00 O ATOM 230 CB SER A 15 1.867 -3.501 -10.989 1.00 0.00 C ATOM 231 OG SER A 15 0.547 -3.571 -11.515 1.00 0.00 O ATOM 0 H SER A 15 3.648 -2.887 -9.355 1.00 0.00 H new ATOM 0 HA SER A 15 2.565 -1.562 -11.611 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.578 -3.922 -11.700 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.940 -4.094 -10.077 1.00 0.00 H new ATOM 0 HG SER A 15 0.320 -4.505 -11.705 1.00 0.00 H new ATOM 237 N ILE A 16 0.590 -1.607 -8.985 1.00 0.00 N ATOM 238 CA ILE A 16 -0.598 -0.940 -8.398 1.00 0.00 C ATOM 239 C ILE A 16 -0.354 0.562 -8.431 1.00 0.00 C ATOM 240 O ILE A 16 -1.204 1.322 -8.838 1.00 0.00 O ATOM 241 CB ILE A 16 -0.804 -1.410 -6.956 1.00 0.00 C ATOM 242 CG1 ILE A 16 -1.447 -2.804 -6.951 1.00 0.00 C ATOM 243 CG2 ILE A 16 -1.732 -0.433 -6.241 1.00 0.00 C ATOM 244 CD1 ILE A 16 -0.510 -3.806 -6.277 1.00 0.00 C ATOM 0 H ILE A 16 1.052 -2.281 -8.375 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.494 -1.189 -8.967 1.00 0.00 H new ATOM 0 HB ILE A 16 0.160 -1.453 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.400 -2.773 -6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.658 -3.120 -7.972 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.884 -0.761 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.285 0.561 -6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.692 -0.400 -6.756 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.972 -4.793 -6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.433 -3.847 -6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.321 -3.494 -5.250 1.00 0.00 H new ATOM 256 N ALA A 17 0.816 0.997 -8.033 1.00 0.00 N ATOM 257 CA ALA A 17 1.117 2.457 -8.074 1.00 0.00 C ATOM 258 C ALA A 17 0.798 2.995 -9.468 1.00 0.00 C ATOM 259 O ALA A 17 0.181 4.026 -9.617 1.00 0.00 O ATOM 260 CB ALA A 17 2.596 2.693 -7.824 1.00 0.00 C ATOM 0 H ALA A 17 1.570 0.406 -7.684 1.00 0.00 H new ATOM 0 HA ALA A 17 0.520 2.957 -7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.804 3.762 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.867 2.300 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.180 2.186 -8.592 1.00 0.00 H new ATOM 266 N LYS A 18 1.236 2.302 -10.489 1.00 0.00 N ATOM 267 CA LYS A 18 0.979 2.765 -11.886 1.00 0.00 C ATOM 268 C LYS A 18 -0.506 3.096 -12.068 1.00 0.00 C ATOM 269 O LYS A 18 -0.854 4.058 -12.723 1.00 0.00 O ATOM 270 CB LYS A 18 1.380 1.666 -12.871 1.00 0.00 C ATOM 271 CG LYS A 18 1.244 2.190 -14.301 1.00 0.00 C ATOM 272 CD LYS A 18 2.443 1.729 -15.132 1.00 0.00 C ATOM 273 CE LYS A 18 3.308 2.940 -15.491 1.00 0.00 C ATOM 274 NZ LYS A 18 4.656 2.475 -15.923 1.00 0.00 N ATOM 0 H LYS A 18 1.763 1.432 -10.414 1.00 0.00 H new ATOM 0 HA LYS A 18 1.569 3.661 -12.076 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.407 1.351 -12.684 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.748 0.789 -12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.318 1.825 -14.746 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.189 3.279 -14.297 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.030 1.002 -14.571 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.101 1.231 -16.039 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.836 3.514 -16.289 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.398 3.604 -14.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.245 3.297 -16.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.105 1.945 -15.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.560 1.858 -16.755 1.00 0.00 H new ATOM 288 N ARG A 19 -1.382 2.314 -11.491 1.00 0.00 N ATOM 289 CA ARG A 19 -2.843 2.593 -11.631 1.00 0.00 C ATOM 290 C ARG A 19 -3.150 4.012 -11.140 1.00 0.00 C ATOM 291 O ARG A 19 -4.047 4.666 -11.632 1.00 0.00 O ATOM 292 CB ARG A 19 -3.638 1.588 -10.795 1.00 0.00 C ATOM 293 CG ARG A 19 -4.145 0.460 -11.695 1.00 0.00 C ATOM 294 CD ARG A 19 -4.103 -0.862 -10.928 1.00 0.00 C ATOM 295 NE ARG A 19 -5.402 -1.076 -10.233 1.00 0.00 N ATOM 296 CZ ARG A 19 -5.430 -1.637 -9.054 1.00 0.00 C ATOM 297 NH1 ARG A 19 -6.036 -2.781 -8.892 1.00 0.00 N ATOM 298 NH2 ARG A 19 -4.853 -1.053 -8.040 1.00 0.00 N ATOM 0 H ARG A 19 -1.149 1.495 -10.929 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.125 2.503 -12.680 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.010 1.181 -10.003 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.478 2.086 -10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.163 0.671 -12.022 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.530 0.392 -12.592 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.905 -1.686 -11.614 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.289 -0.848 -10.203 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.272 -0.784 -10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.487 -3.236 -9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.059 -3.220 -7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.380 -0.158 -8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.875 -1.491 -7.119 1.00 0.00 H new ATOM 312 N HIS A 20 -2.408 4.497 -10.181 1.00 0.00 N ATOM 313 CA HIS A 20 -2.655 5.876 -9.670 1.00 0.00 C ATOM 314 C HIS A 20 -1.455 6.777 -9.983 1.00 0.00 C ATOM 315 O HIS A 20 -1.353 7.868 -9.457 1.00 0.00 O ATOM 316 CB HIS A 20 -2.852 5.848 -8.147 1.00 0.00 C ATOM 317 CG HIS A 20 -3.004 4.431 -7.657 1.00 0.00 C ATOM 318 ND1 HIS A 20 -4.243 3.847 -7.453 1.00 0.00 N ATOM 319 CD2 HIS A 20 -2.083 3.480 -7.297 1.00 0.00 C ATOM 320 CE1 HIS A 20 -4.027 2.602 -6.987 1.00 0.00 C ATOM 321 NE2 HIS A 20 -2.733 2.332 -6.877 1.00 0.00 N ATOM 0 H HIS A 20 -1.642 3.998 -9.729 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.551 6.264 -10.156 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.000 6.319 -7.656 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.735 6.428 -7.879 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.151 4.280 -7.624 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.011 3.608 -7.335 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.813 1.907 -6.733 1.00 0.00 H new ATOM 329 N GLY A 21 -0.536 6.335 -10.814 1.00 0.00 N ATOM 330 CA GLY A 21 0.658 7.181 -11.115 1.00 0.00 C ATOM 331 C GLY A 21 1.260 7.625 -9.785 1.00 0.00 C ATOM 332 O GLY A 21 1.430 8.797 -9.523 1.00 0.00 O ATOM 0 H GLY A 21 -0.564 5.434 -11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.388 6.618 -11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.373 8.046 -11.713 1.00 0.00 H new ATOM 336 N VAL A 22 1.541 6.684 -8.925 1.00 0.00 N ATOM 337 CA VAL A 22 2.079 7.034 -7.582 1.00 0.00 C ATOM 338 C VAL A 22 3.466 6.424 -7.359 1.00 0.00 C ATOM 339 O VAL A 22 3.957 5.651 -8.157 1.00 0.00 O ATOM 340 CB VAL A 22 1.124 6.512 -6.517 1.00 0.00 C ATOM 341 CG1 VAL A 22 0.114 7.599 -6.168 1.00 0.00 C ATOM 342 CG2 VAL A 22 0.375 5.291 -7.031 1.00 0.00 C ATOM 0 H VAL A 22 1.420 5.686 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 22 2.171 8.118 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 22 1.700 6.235 -5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.571 7.228 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.639 8.475 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.449 7.872 -7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.304 4.929 -6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.196 5.562 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.088 4.506 -7.284 1.00 0.00 H new ATOM 352 N ASN A 23 4.099 6.783 -6.268 1.00 0.00 N ATOM 353 CA ASN A 23 5.458 6.247 -5.967 1.00 0.00 C ATOM 354 C ASN A 23 5.366 5.200 -4.854 1.00 0.00 C ATOM 355 O ASN A 23 5.397 5.510 -3.670 1.00 0.00 O ATOM 356 CB ASN A 23 6.372 7.389 -5.518 1.00 0.00 C ATOM 357 CG ASN A 23 5.922 8.703 -6.163 1.00 0.00 C ATOM 358 OD1 ASN A 23 4.958 9.305 -5.736 1.00 0.00 O ATOM 359 ND2 ASN A 23 6.590 9.178 -7.176 1.00 0.00 N ATOM 0 H ASN A 23 3.728 7.428 -5.571 1.00 0.00 H new ATOM 0 HA ASN A 23 5.868 5.784 -6.865 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.348 7.480 -4.432 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.403 7.172 -5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.303 10.055 -7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.400 8.672 -7.535 1.00 0.00 H new ATOM 366 N ILE A 24 5.268 3.956 -5.213 1.00 0.00 N ATOM 367 CA ILE A 24 5.188 2.900 -4.173 1.00 0.00 C ATOM 368 C ILE A 24 6.337 3.087 -3.182 1.00 0.00 C ATOM 369 O ILE A 24 6.226 2.734 -2.029 1.00 0.00 O ATOM 370 CB ILE A 24 5.247 1.533 -4.835 1.00 0.00 C ATOM 371 CG1 ILE A 24 4.106 1.436 -5.823 1.00 0.00 C ATOM 372 CG2 ILE A 24 5.062 0.440 -3.801 1.00 0.00 C ATOM 373 CD1 ILE A 24 2.766 1.556 -5.077 1.00 0.00 C ATOM 0 H ILE A 24 5.240 3.625 -6.177 1.00 0.00 H new ATOM 0 HA ILE A 24 4.246 2.973 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 24 6.213 1.412 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.190 2.226 -6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.153 0.487 -6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.106 -0.534 -4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.853 0.508 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.093 0.559 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.945 1.486 -5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.682 0.751 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.720 2.517 -4.564 1.00 0.00 H new ATOM 385 N LYS A 25 7.421 3.685 -3.605 1.00 0.00 N ATOM 386 CA LYS A 25 8.532 3.942 -2.649 1.00 0.00 C ATOM 387 C LYS A 25 7.974 4.817 -1.526 1.00 0.00 C ATOM 388 O LYS A 25 8.215 4.574 -0.361 1.00 0.00 O ATOM 389 CB LYS A 25 9.684 4.674 -3.339 1.00 0.00 C ATOM 390 CG LYS A 25 9.146 5.633 -4.408 1.00 0.00 C ATOM 391 CD LYS A 25 9.854 6.984 -4.292 1.00 0.00 C ATOM 392 CE LYS A 25 11.200 6.917 -5.011 1.00 0.00 C ATOM 393 NZ LYS A 25 12.303 7.005 -4.012 1.00 0.00 N ATOM 0 H LYS A 25 7.582 4.002 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 25 8.917 2.998 -2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.263 5.230 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.360 3.952 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.305 5.212 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.071 5.763 -4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.236 7.769 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.002 7.240 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.278 5.986 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.281 7.732 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.219 6.959 -4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.232 7.904 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.229 6.213 -3.342 1.00 0.00 H new ATOM 407 N ASP A 26 7.188 5.811 -1.868 1.00 0.00 N ATOM 408 CA ASP A 26 6.573 6.661 -0.815 1.00 0.00 C ATOM 409 C ASP A 26 5.705 5.752 0.026 1.00 0.00 C ATOM 410 O ASP A 26 5.674 5.841 1.239 1.00 0.00 O ATOM 411 CB ASP A 26 5.704 7.757 -1.433 1.00 0.00 C ATOM 412 CG ASP A 26 6.554 8.663 -2.325 1.00 0.00 C ATOM 413 OD1 ASP A 26 7.767 8.533 -2.290 1.00 0.00 O ATOM 414 OD2 ASP A 26 5.976 9.477 -3.023 1.00 0.00 O ATOM 0 H ASP A 26 6.951 6.064 -2.827 1.00 0.00 H new ATOM 0 HA ASP A 26 7.349 7.147 -0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.901 7.308 -2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.234 8.346 -0.646 1.00 0.00 H new ATOM 419 N VAL A 27 5.025 4.842 -0.611 1.00 0.00 N ATOM 420 CA VAL A 27 4.193 3.882 0.169 1.00 0.00 C ATOM 421 C VAL A 27 5.109 3.158 1.160 1.00 0.00 C ATOM 422 O VAL A 27 4.788 3.003 2.324 1.00 0.00 O ATOM 423 CB VAL A 27 3.547 2.864 -0.760 1.00 0.00 C ATOM 424 CG1 VAL A 27 2.583 1.994 0.045 1.00 0.00 C ATOM 425 CG2 VAL A 27 2.785 3.610 -1.851 1.00 0.00 C ATOM 0 H VAL A 27 5.007 4.720 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 27 3.403 4.419 0.694 1.00 0.00 H new ATOM 0 HB VAL A 27 4.308 2.230 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.116 1.262 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.131 1.476 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.813 2.622 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.317 2.892 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.017 4.235 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.476 4.237 -2.414 1.00 0.00 H new ATOM 435 N MET A 28 6.271 2.750 0.713 1.00 0.00 N ATOM 436 CA MET A 28 7.227 2.081 1.635 1.00 0.00 C ATOM 437 C MET A 28 7.817 3.144 2.568 1.00 0.00 C ATOM 438 O MET A 28 8.429 2.839 3.570 1.00 0.00 O ATOM 439 CB MET A 28 8.353 1.425 0.831 1.00 0.00 C ATOM 440 CG MET A 28 7.760 0.527 -0.258 1.00 0.00 C ATOM 441 SD MET A 28 6.905 -0.870 0.508 1.00 0.00 S ATOM 442 CE MET A 28 6.024 -1.433 -0.969 1.00 0.00 C ATOM 0 H MET A 28 6.594 2.853 -0.249 1.00 0.00 H new ATOM 0 HA MET A 28 6.713 1.312 2.212 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.983 2.191 0.380 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.990 0.837 1.493 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.066 1.097 -0.876 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.550 0.166 -0.916 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.624 -2.432 -0.795 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.206 -0.747 -1.188 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.711 -1.460 -1.815 1.00 0.00 H new ATOM 452 N ARG A 29 7.631 4.396 2.240 1.00 0.00 N ATOM 453 CA ARG A 29 8.164 5.485 3.100 1.00 0.00 C ATOM 454 C ARG A 29 7.295 5.605 4.356 1.00 0.00 C ATOM 455 O ARG A 29 7.797 5.735 5.454 1.00 0.00 O ATOM 456 CB ARG A 29 8.131 6.804 2.326 1.00 0.00 C ATOM 457 CG ARG A 29 8.924 7.871 3.081 1.00 0.00 C ATOM 458 CD ARG A 29 8.498 9.256 2.592 1.00 0.00 C ATOM 459 NE ARG A 29 9.274 10.303 3.314 1.00 0.00 N ATOM 460 CZ ARG A 29 8.706 11.004 4.259 1.00 0.00 C ATOM 461 NH1 ARG A 29 7.501 11.477 4.091 1.00 0.00 N ATOM 462 NH2 ARG A 29 9.348 11.234 5.371 1.00 0.00 N ATOM 0 H ARG A 29 7.130 4.709 1.409 1.00 0.00 H new ATOM 0 HA ARG A 29 9.191 5.260 3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.552 6.662 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.100 7.131 2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.748 7.781 4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.993 7.728 2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.666 9.341 1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.431 9.400 2.760 1.00 0.00 H new ATOM 0 HE ARG A 29 10.250 10.473 3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.000 11.300 3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.060 12.024 4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.291 10.867 5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.907 11.781 6.111 1.00 0.00 H new ATOM 476 N TRP A 30 5.993 5.557 4.210 1.00 0.00 N ATOM 477 CA TRP A 30 5.120 5.663 5.418 1.00 0.00 C ATOM 478 C TRP A 30 5.029 4.298 6.096 1.00 0.00 C ATOM 479 O TRP A 30 5.034 4.196 7.306 1.00 0.00 O ATOM 480 CB TRP A 30 3.718 6.134 5.024 1.00 0.00 C ATOM 481 CG TRP A 30 3.833 7.320 4.130 1.00 0.00 C ATOM 482 CD1 TRP A 30 4.285 8.539 4.502 1.00 0.00 C ATOM 483 CD2 TRP A 30 3.504 7.415 2.722 1.00 0.00 C ATOM 484 NE1 TRP A 30 4.257 9.377 3.402 1.00 0.00 N ATOM 485 CE2 TRP A 30 3.783 8.728 2.279 1.00 0.00 C ATOM 486 CE3 TRP A 30 2.996 6.494 1.798 1.00 0.00 C ATOM 487 CZ2 TRP A 30 3.564 9.112 0.957 1.00 0.00 C ATOM 488 CZ3 TRP A 30 2.775 6.873 0.471 1.00 0.00 C ATOM 489 CH2 TRP A 30 3.059 8.180 0.048 1.00 0.00 C ATOM 0 H TRP A 30 5.504 5.451 3.321 1.00 0.00 H new ATOM 0 HA TRP A 30 5.553 6.390 6.106 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.181 5.332 4.517 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.143 6.389 5.914 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.613 8.813 5.494 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.550 10.354 3.418 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.774 5.485 2.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.783 10.121 0.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.383 6.155 -0.234 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.887 8.465 -0.979 1.00 0.00 H new ATOM 500 N ASN A 31 4.952 3.242 5.329 1.00 0.00 N ATOM 501 CA ASN A 31 4.869 1.891 5.950 1.00 0.00 C ATOM 502 C ASN A 31 6.262 1.273 6.000 1.00 0.00 C ATOM 503 O ASN A 31 7.008 1.319 5.047 1.00 0.00 O ATOM 504 CB ASN A 31 3.952 0.993 5.128 1.00 0.00 C ATOM 505 CG ASN A 31 2.599 1.680 4.930 1.00 0.00 C ATOM 506 OD1 ASN A 31 1.691 1.496 5.716 1.00 0.00 O ATOM 507 ND2 ASN A 31 2.423 2.472 3.907 1.00 0.00 N ATOM 0 H ASN A 31 4.943 3.257 4.309 1.00 0.00 H new ATOM 0 HA ASN A 31 4.467 1.986 6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.407 0.780 4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.815 0.037 5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.525 2.935 3.769 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.184 2.628 3.246 1.00 0.00 H new ATOM 514 N SER A 32 6.615 0.687 7.104 1.00 0.00 N ATOM 515 CA SER A 32 7.960 0.059 7.215 1.00 0.00 C ATOM 516 C SER A 32 7.877 -1.379 6.728 1.00 0.00 C ATOM 517 O SER A 32 8.188 -1.687 5.595 1.00 0.00 O ATOM 518 CB SER A 32 8.428 0.092 8.671 1.00 0.00 C ATOM 519 OG SER A 32 9.413 1.105 8.825 1.00 0.00 O ATOM 0 H SER A 32 6.031 0.614 7.937 1.00 0.00 H new ATOM 0 HA SER A 32 8.675 0.610 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.583 0.286 9.332 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.839 -0.877 8.955 1.00 0.00 H new ATOM 0 HG SER A 32 9.714 1.130 9.757 1.00 0.00 H new ATOM 525 N ASP A 33 7.439 -2.257 7.571 1.00 0.00 N ATOM 526 CA ASP A 33 7.307 -3.679 7.163 1.00 0.00 C ATOM 527 C ASP A 33 5.993 -3.838 6.409 1.00 0.00 C ATOM 528 O ASP A 33 4.925 -3.783 6.988 1.00 0.00 O ATOM 529 CB ASP A 33 7.304 -4.574 8.404 1.00 0.00 C ATOM 530 CG ASP A 33 8.637 -4.428 9.139 1.00 0.00 C ATOM 531 OD1 ASP A 33 9.652 -4.327 8.472 1.00 0.00 O ATOM 532 OD2 ASP A 33 8.620 -4.420 10.359 1.00 0.00 O ATOM 0 H ASP A 33 7.164 -2.054 8.532 1.00 0.00 H new ATOM 0 HA ASP A 33 8.143 -3.968 6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.481 -4.298 9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.147 -5.613 8.116 1.00 0.00 H new ATOM 537 N THR A 34 6.055 -4.021 5.119 1.00 0.00 N ATOM 538 CA THR A 34 4.800 -4.167 4.332 1.00 0.00 C ATOM 539 C THR A 34 4.342 -5.628 4.337 1.00 0.00 C ATOM 540 O THR A 34 3.917 -6.162 3.328 1.00 0.00 O ATOM 541 CB THR A 34 5.048 -3.705 2.898 1.00 0.00 C ATOM 542 OG1 THR A 34 6.249 -4.291 2.415 1.00 0.00 O ATOM 543 CG2 THR A 34 5.171 -2.181 2.869 1.00 0.00 C ATOM 0 H THR A 34 6.918 -4.076 4.578 1.00 0.00 H new ATOM 0 HA THR A 34 4.019 -3.555 4.782 1.00 0.00 H new ATOM 0 HB THR A 34 4.215 -4.012 2.265 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.409 -3.997 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.348 -1.850 1.846 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.249 -1.734 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.004 -1.871 3.500 1.00 0.00 H new ATOM 551 N ALA A 35 4.398 -6.275 5.473 1.00 0.00 N ATOM 552 CA ALA A 35 3.946 -7.688 5.546 1.00 0.00 C ATOM 553 C ALA A 35 2.429 -7.749 5.348 1.00 0.00 C ATOM 554 O ALA A 35 1.856 -8.814 5.223 1.00 0.00 O ATOM 555 CB ALA A 35 4.309 -8.274 6.911 1.00 0.00 C ATOM 0 H ALA A 35 4.738 -5.882 6.351 1.00 0.00 H new ATOM 0 HA ALA A 35 4.438 -8.266 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.976 -9.311 6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.389 -8.232 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.820 -7.697 7.696 1.00 0.00 H new ATOM 561 N ASN A 36 1.770 -6.618 5.303 1.00 0.00 N ATOM 562 CA ASN A 36 0.305 -6.627 5.094 1.00 0.00 C ATOM 563 C ASN A 36 0.004 -6.706 3.597 1.00 0.00 C ATOM 564 O ASN A 36 -1.135 -6.694 3.192 1.00 0.00 O ATOM 565 CB ASN A 36 -0.300 -5.343 5.667 1.00 0.00 C ATOM 566 CG ASN A 36 -0.303 -5.422 7.195 1.00 0.00 C ATOM 567 OD1 ASN A 36 -1.199 -5.993 7.783 1.00 0.00 O ATOM 568 ND2 ASN A 36 0.669 -4.868 7.866 1.00 0.00 N ATOM 0 H ASN A 36 2.190 -5.694 5.403 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.128 -7.491 5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.275 -4.478 5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.316 -5.210 5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.677 -4.914 8.885 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.421 -4.388 7.372 1.00 0.00 H new ATOM 575 N LEU A 37 1.010 -6.788 2.758 1.00 0.00 N ATOM 576 CA LEU A 37 0.733 -6.870 1.298 1.00 0.00 C ATOM 577 C LEU A 37 0.422 -8.323 0.943 1.00 0.00 C ATOM 578 O LEU A 37 1.188 -8.993 0.280 1.00 0.00 O ATOM 579 CB LEU A 37 1.945 -6.401 0.493 1.00 0.00 C ATOM 580 CG LEU A 37 2.035 -4.871 0.503 1.00 0.00 C ATOM 581 CD1 LEU A 37 1.693 -4.320 1.888 1.00 0.00 C ATOM 582 CD2 LEU A 37 3.456 -4.450 0.133 1.00 0.00 C ATOM 0 H LEU A 37 1.995 -6.801 3.021 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.113 -6.227 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.856 -6.828 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.869 -6.760 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 37 1.323 -4.473 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.763 -3.232 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.679 -4.615 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.394 -4.719 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.526 -3.362 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.158 -4.863 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.699 -4.824 -0.861 1.00 0.00 H new ATOM 594 N GLN A 38 -0.708 -8.803 1.374 1.00 0.00 N ATOM 595 CA GLN A 38 -1.107 -10.196 1.070 1.00 0.00 C ATOM 596 C GLN A 38 -2.245 -10.118 0.070 1.00 0.00 C ATOM 597 O GLN A 38 -2.825 -9.062 -0.107 1.00 0.00 O ATOM 598 CB GLN A 38 -1.565 -10.913 2.348 1.00 0.00 C ATOM 599 CG GLN A 38 -2.324 -9.941 3.253 1.00 0.00 C ATOM 600 CD GLN A 38 -2.783 -10.672 4.515 1.00 0.00 C ATOM 601 OE1 GLN A 38 -3.914 -11.108 4.602 1.00 0.00 O ATOM 602 NE2 GLN A 38 -1.948 -10.823 5.506 1.00 0.00 N ATOM 0 H GLN A 38 -1.381 -8.278 1.933 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.269 -10.761 0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.204 -11.758 2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.702 -11.316 2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.684 -9.100 3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.184 -9.531 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.999 -10.457 5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.245 -11.307 6.354 1.00 0.00 H new ATOM 611 N PRO A 39 -2.533 -11.217 -0.562 1.00 0.00 N ATOM 612 CA PRO A 39 -3.597 -11.258 -1.564 1.00 0.00 C ATOM 613 C PRO A 39 -4.952 -11.060 -0.890 1.00 0.00 C ATOM 614 O PRO A 39 -5.633 -11.997 -0.526 1.00 0.00 O ATOM 615 CB PRO A 39 -3.445 -12.639 -2.208 1.00 0.00 C ATOM 616 CG PRO A 39 -2.659 -13.500 -1.195 1.00 0.00 C ATOM 617 CD PRO A 39 -1.862 -12.510 -0.324 1.00 0.00 C ATOM 0 HA PRO A 39 -3.533 -10.469 -2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.419 -13.079 -2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.913 -12.570 -3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.335 -14.099 -0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.992 -14.194 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.892 -12.789 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.812 -12.476 -0.615 1.00 0.00 H new ATOM 625 N GLY A 40 -5.333 -9.822 -0.725 1.00 0.00 N ATOM 626 CA GLY A 40 -6.631 -9.508 -0.074 1.00 0.00 C ATOM 627 C GLY A 40 -6.437 -8.443 1.018 1.00 0.00 C ATOM 628 O GLY A 40 -7.333 -8.195 1.799 1.00 0.00 O ATOM 0 H GLY A 40 -4.792 -9.008 -1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.342 -9.150 -0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.055 -10.413 0.362 1.00 0.00 H new ATOM 632 N ASP A 41 -5.288 -7.803 1.095 1.00 0.00 N ATOM 633 CA ASP A 41 -5.108 -6.768 2.159 1.00 0.00 C ATOM 634 C ASP A 41 -5.029 -5.384 1.521 1.00 0.00 C ATOM 635 O ASP A 41 -4.577 -5.236 0.406 1.00 0.00 O ATOM 636 CB ASP A 41 -3.821 -7.040 2.930 1.00 0.00 C ATOM 637 CG ASP A 41 -4.158 -7.619 4.306 1.00 0.00 C ATOM 638 OD1 ASP A 41 -5.153 -8.318 4.406 1.00 0.00 O ATOM 639 OD2 ASP A 41 -3.410 -7.357 5.235 1.00 0.00 O ATOM 0 H ASP A 41 -4.487 -7.951 0.481 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.957 -6.808 2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.193 -7.737 2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.251 -6.118 3.042 1.00 0.00 H new ATOM 644 N LYS A 42 -5.462 -4.366 2.218 1.00 0.00 N ATOM 645 CA LYS A 42 -5.413 -2.994 1.639 1.00 0.00 C ATOM 646 C LYS A 42 -4.020 -2.395 1.846 1.00 0.00 C ATOM 647 O LYS A 42 -3.241 -2.862 2.651 1.00 0.00 O ATOM 648 CB LYS A 42 -6.466 -2.115 2.318 1.00 0.00 C ATOM 649 CG LYS A 42 -5.990 -1.720 3.717 1.00 0.00 C ATOM 650 CD LYS A 42 -7.062 -2.088 4.744 1.00 0.00 C ATOM 651 CE LYS A 42 -7.789 -0.822 5.200 1.00 0.00 C ATOM 652 NZ LYS A 42 -8.039 -0.896 6.668 1.00 0.00 N ATOM 0 H LYS A 42 -5.846 -4.427 3.161 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.622 -3.044 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.647 -1.222 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.412 -2.652 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.056 -2.230 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.787 -0.650 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.772 -2.791 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.605 -2.586 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.191 0.059 4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.732 -0.718 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.533 -0.036 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.626 -1.728 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.132 -0.976 7.171 1.00 0.00 H new ATOM 666 N LEU A 43 -3.696 -1.381 1.094 1.00 0.00 N ATOM 667 CA LEU A 43 -2.351 -0.758 1.205 1.00 0.00 C ATOM 668 C LEU A 43 -2.471 0.764 1.126 1.00 0.00 C ATOM 669 O LEU A 43 -3.198 1.295 0.309 1.00 0.00 O ATOM 670 CB LEU A 43 -1.493 -1.248 0.047 1.00 0.00 C ATOM 671 CG LEU A 43 -0.343 -2.113 0.567 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.706 -2.234 -0.527 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.300 -1.479 1.805 1.00 0.00 C ATOM 0 H LEU A 43 -4.312 -0.955 0.402 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.900 -1.032 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.104 -1.823 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.096 -0.397 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.733 -3.093 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.533 -2.848 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.262 -2.698 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.076 -1.242 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.115 -2.112 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.690 -0.494 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.447 -1.379 2.592 1.00 0.00 H new ATOM 685 N THR A 44 -1.766 1.466 1.970 1.00 0.00 N ATOM 686 CA THR A 44 -1.839 2.948 1.952 1.00 0.00 C ATOM 687 C THR A 44 -1.128 3.498 0.718 1.00 0.00 C ATOM 688 O THR A 44 0.058 3.312 0.537 1.00 0.00 O ATOM 689 CB THR A 44 -1.152 3.509 3.203 1.00 0.00 C ATOM 690 OG1 THR A 44 -2.122 3.696 4.224 1.00 0.00 O ATOM 691 CG2 THR A 44 -0.488 4.856 2.874 1.00 0.00 C ATOM 0 H THR A 44 -1.141 1.072 2.673 1.00 0.00 H new ATOM 0 HA THR A 44 -2.888 3.245 1.931 1.00 0.00 H new ATOM 0 HB THR A 44 -0.389 2.808 3.543 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.687 4.053 5.027 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.002 5.250 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.255 4.713 2.089 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.246 5.561 2.533 1.00 0.00 H new ATOM 699 N LEU A 45 -1.834 4.209 -0.112 1.00 0.00 N ATOM 700 CA LEU A 45 -1.188 4.813 -1.302 1.00 0.00 C ATOM 701 C LEU A 45 -1.180 6.326 -1.102 1.00 0.00 C ATOM 702 O LEU A 45 -1.646 7.073 -1.941 1.00 0.00 O ATOM 703 CB LEU A 45 -1.962 4.481 -2.582 1.00 0.00 C ATOM 704 CG LEU A 45 -1.487 3.158 -3.175 1.00 0.00 C ATOM 705 CD1 LEU A 45 -2.578 2.631 -4.096 1.00 0.00 C ATOM 706 CD2 LEU A 45 -0.217 3.383 -3.997 1.00 0.00 C ATOM 0 H LEU A 45 -2.832 4.397 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.178 4.417 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.028 4.425 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.828 5.280 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.277 2.449 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.260 1.684 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.494 2.478 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.763 3.353 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.117 2.435 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.426 4.085 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.564 3.790 -3.355 1.00 0.00 H new ATOM 718 N PHE A 46 -0.634 6.787 0.002 1.00 0.00 N ATOM 719 CA PHE A 46 -0.566 8.257 0.244 1.00 0.00 C ATOM 720 C PHE A 46 0.129 8.896 -0.953 1.00 0.00 C ATOM 721 O PHE A 46 -0.008 10.073 -1.216 1.00 0.00 O ATOM 722 CB PHE A 46 0.254 8.540 1.506 1.00 0.00 C ATOM 723 CG PHE A 46 -0.649 8.695 2.704 1.00 0.00 C ATOM 724 CD1 PHE A 46 -1.816 9.463 2.613 1.00 0.00 C ATOM 725 CD2 PHE A 46 -0.310 8.074 3.910 1.00 0.00 C ATOM 726 CE1 PHE A 46 -2.645 9.607 3.733 1.00 0.00 C ATOM 727 CE2 PHE A 46 -1.136 8.218 5.028 1.00 0.00 C ATOM 728 CZ PHE A 46 -2.305 8.983 4.940 1.00 0.00 C ATOM 0 H PHE A 46 -0.235 6.207 0.740 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.569 8.662 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.959 7.726 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.842 9.447 1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.077 9.943 1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.591 7.482 3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.546 10.199 3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.873 7.739 5.960 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.945 9.092 5.803 1.00 0.00 H new ATOM 738 N VAL A 47 0.880 8.092 -1.662 1.00 0.00 N ATOM 739 CA VAL A 47 1.623 8.540 -2.864 1.00 0.00 C ATOM 740 C VAL A 47 0.809 9.574 -3.643 1.00 0.00 C ATOM 741 O VAL A 47 1.331 10.568 -4.108 1.00 0.00 O ATOM 742 CB VAL A 47 1.905 7.304 -3.727 1.00 0.00 C ATOM 743 CG1 VAL A 47 3.156 6.602 -3.225 1.00 0.00 C ATOM 744 CG2 VAL A 47 0.749 6.298 -3.643 1.00 0.00 C ATOM 0 H VAL A 47 1.009 7.104 -1.441 1.00 0.00 H new ATOM 0 HA VAL A 47 2.560 9.016 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 47 2.029 7.642 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.353 5.724 -3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.004 7.284 -3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.009 6.293 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.975 5.431 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.619 5.979 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.169 6.768 -3.996 1.00 0.00 H new ATOM 754 N LYS A 48 -0.460 9.352 -3.772 1.00 0.00 N ATOM 755 CA LYS A 48 -1.323 10.322 -4.503 1.00 0.00 C ATOM 756 C LYS A 48 -2.385 10.863 -3.543 1.00 0.00 C ATOM 757 O LYS A 48 -3.065 10.058 -2.928 1.00 0.00 O ATOM 758 CB LYS A 48 -2.005 9.618 -5.678 1.00 0.00 C ATOM 759 CG LYS A 48 -3.171 10.468 -6.183 1.00 0.00 C ATOM 760 CD LYS A 48 -3.122 10.539 -7.710 1.00 0.00 C ATOM 761 CE LYS A 48 -4.388 11.222 -8.232 1.00 0.00 C ATOM 762 NZ LYS A 48 -4.134 12.681 -8.393 1.00 0.00 N ATOM 763 OXT LYS A 48 -2.497 12.073 -3.435 1.00 0.00 O ATOM 0 H LYS A 48 -0.946 8.535 -3.402 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.715 11.143 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.287 9.454 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.365 8.637 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.118 10.037 -5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.115 11.471 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.239 11.092 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.039 9.536 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.682 10.786 -9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.214 11.060 -7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.994 13.146 -8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.873 13.091 -7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.358 12.826 -9.070 1.00 0.00 H new TER 777 LYS A 48