USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 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 -157:sc= -0.091 (180deg=-0.761) USER MOD Single : A 1 MET N :NH3+ -178:sc= -1.77 (180deg=-1.88) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -52:sc= -0.592 USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0.703 (180deg=0.702) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -2.8! C(o=-2.8!,f=-8.2!) USER MOD Single : A 39 MET CE :methyl 169:sc= -1.45 (180deg=-1.7) USER MOD Single : A 40 THR OG1 : rot 36:sc= -0.23! USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0431 (180deg=-0.411) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0436 (180deg=-0.386) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.44 USER MOD Single : A 64 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.75) USER MOD Single : A 70 SER OG : rot 180:sc= -0.341 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.693 K(o=-0.69,f=-2.1!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.804 0.817 -9.717 1.00 0.00 N ATOM 2 CA MET A 1 70.640 0.087 -10.294 1.00 0.00 C ATOM 3 C MET A 1 70.794 -1.399 -10.007 1.00 0.00 C ATOM 4 O MET A 1 70.304 -2.241 -10.760 1.00 0.00 O ATOM 5 CB MET A 1 70.595 0.310 -11.805 1.00 0.00 C ATOM 6 CG MET A 1 70.363 1.793 -12.094 1.00 0.00 C ATOM 7 SD MET A 1 68.725 2.288 -11.488 1.00 0.00 S ATOM 8 CE MET A 1 67.728 1.447 -12.747 1.00 0.00 C ATOM 0 H1 MET A 1 71.689 1.838 -9.880 1.00 0.00 H new ATOM 0 H2 MET A 1 71.857 0.633 -8.695 1.00 0.00 H new ATOM 0 H3 MET A 1 72.680 0.490 -10.173 1.00 0.00 H new ATOM 0 HA MET A 1 69.717 0.456 -9.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 71.530 -0.018 -12.260 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.798 -0.287 -12.248 1.00 0.00 H new ATOM 0 HG2 MET A 1 71.136 2.392 -11.612 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.436 1.980 -13.165 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.753 1.928 -12.820 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.234 1.505 -13.711 1.00 0.00 H new ATOM 0 HE3 MET A 1 67.597 0.401 -12.468 1.00 0.00 H new ATOM 20 N TYR A 2 71.479 -1.719 -8.917 1.00 0.00 N ATOM 21 CA TYR A 2 71.686 -3.118 -8.552 1.00 0.00 C ATOM 22 C TYR A 2 70.408 -3.669 -7.928 1.00 0.00 C ATOM 23 O TYR A 2 69.718 -2.966 -7.188 1.00 0.00 O ATOM 24 CB TYR A 2 72.860 -3.258 -7.571 1.00 0.00 C ATOM 25 CG TYR A 2 73.405 -4.680 -7.625 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.816 -5.694 -6.856 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.506 -4.986 -8.450 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.313 -7.000 -6.915 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.999 -6.295 -8.503 1.00 0.00 C ATOM 30 CZ TYR A 2 74.403 -7.301 -7.737 1.00 0.00 C ATOM 31 OH TYR A 2 74.895 -8.589 -7.790 1.00 0.00 O ATOM 0 H TYR A 2 71.896 -1.042 -8.278 1.00 0.00 H new ATOM 0 HA TYR A 2 71.928 -3.687 -9.450 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.646 -2.547 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.531 -3.022 -6.559 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.976 -5.466 -6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.969 -4.210 -9.041 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.853 -7.778 -6.324 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.842 -6.528 -9.137 1.00 0.00 H new ATOM 0 HH TYR A 2 75.653 -8.625 -8.411 1.00 0.00 H new ATOM 41 N GLU A 3 70.081 -4.918 -8.250 1.00 0.00 N ATOM 42 CA GLU A 3 68.861 -5.544 -7.739 1.00 0.00 C ATOM 43 C GLU A 3 69.180 -6.660 -6.746 1.00 0.00 C ATOM 44 O GLU A 3 69.830 -7.643 -7.098 1.00 0.00 O ATOM 45 CB GLU A 3 68.095 -6.140 -8.924 1.00 0.00 C ATOM 46 CG GLU A 3 67.925 -5.076 -10.021 1.00 0.00 C ATOM 47 CD GLU A 3 69.184 -4.987 -10.877 1.00 0.00 C ATOM 48 OE1 GLU A 3 70.148 -5.662 -10.555 1.00 0.00 O ATOM 49 OE2 GLU A 3 69.161 -4.251 -11.850 1.00 0.00 O ATOM 0 H GLU A 3 70.640 -5.516 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 3 68.269 -4.788 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.632 -7.002 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.119 -6.497 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 3 67.069 -5.325 -10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.717 -4.107 -9.567 1.00 0.00 H new ATOM 56 N PHE A 4 68.687 -6.518 -5.511 1.00 0.00 N ATOM 57 CA PHE A 4 68.898 -7.547 -4.486 1.00 0.00 C ATOM 58 C PHE A 4 67.766 -8.567 -4.579 1.00 0.00 C ATOM 59 O PHE A 4 66.632 -8.300 -4.186 1.00 0.00 O ATOM 60 CB PHE A 4 68.963 -6.905 -3.079 1.00 0.00 C ATOM 61 CG PHE A 4 68.724 -7.930 -1.973 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.604 -9.014 -1.801 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.617 -7.789 -1.109 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.375 -9.945 -0.780 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.399 -8.724 -0.091 1.00 0.00 C ATOM 66 CZ PHE A 4 68.275 -9.801 0.072 1.00 0.00 C ATOM 0 H PHE A 4 68.146 -5.712 -5.199 1.00 0.00 H new ATOM 0 HA PHE A 4 69.849 -8.052 -4.655 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.938 -6.439 -2.937 1.00 0.00 H new ATOM 0 HB3 PHE A 4 68.218 -6.113 -3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.455 -9.128 -2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.938 -6.959 -1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 4 70.051 -10.778 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.552 -8.613 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 4 68.102 -10.523 0.857 1.00 0.00 H new ATOM 76 N LYS A 5 68.090 -9.735 -5.131 1.00 0.00 N ATOM 77 CA LYS A 5 67.112 -10.811 -5.319 1.00 0.00 C ATOM 78 C LYS A 5 67.442 -11.988 -4.402 1.00 0.00 C ATOM 79 O LYS A 5 68.482 -11.993 -3.746 1.00 0.00 O ATOM 80 CB LYS A 5 67.152 -11.271 -6.794 1.00 0.00 C ATOM 81 CG LYS A 5 65.804 -11.873 -7.213 1.00 0.00 C ATOM 82 CD LYS A 5 65.827 -12.182 -8.709 1.00 0.00 C ATOM 83 CE LYS A 5 64.472 -12.760 -9.123 1.00 0.00 C ATOM 84 NZ LYS A 5 64.474 -13.063 -10.582 1.00 0.00 N ATOM 0 H LYS A 5 69.029 -9.963 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 5 66.116 -10.445 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.393 -10.425 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 5 67.943 -12.009 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.608 -12.783 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 5 64.997 -11.176 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 5 66.038 -11.276 -9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.623 -12.892 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.265 -13.667 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 5 63.678 -12.050 -8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.551 -13.455 -10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 64.652 -12.190 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.221 -13.756 -10.792 1.00 0.00 H new ATOM 98 N LEU A 6 66.550 -12.984 -4.364 1.00 0.00 N ATOM 99 CA LEU A 6 66.767 -14.176 -3.530 1.00 0.00 C ATOM 100 C LEU A 6 67.137 -15.377 -4.418 1.00 0.00 C ATOM 101 O LEU A 6 66.271 -16.181 -4.762 1.00 0.00 O ATOM 102 CB LEU A 6 65.492 -14.508 -2.721 1.00 0.00 C ATOM 103 CG LEU A 6 65.852 -15.275 -1.439 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.577 -15.527 -0.628 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.486 -16.624 -1.806 1.00 0.00 C ATOM 0 H LEU A 6 65.679 -12.991 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 6 67.583 -13.970 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.966 -13.588 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.813 -15.105 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 6 66.558 -14.687 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.827 -16.071 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.118 -14.574 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.878 -16.116 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 6 66.741 -17.166 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 6 65.779 -17.211 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.390 -16.454 -2.392 1.00 0.00 H new ATOM 117 N PRO A 7 68.385 -15.528 -4.806 1.00 0.00 N ATOM 118 CA PRO A 7 68.800 -16.674 -5.669 1.00 0.00 C ATOM 119 C PRO A 7 68.840 -17.987 -4.890 1.00 0.00 C ATOM 120 O PRO A 7 69.011 -17.989 -3.671 1.00 0.00 O ATOM 121 CB PRO A 7 70.192 -16.262 -6.157 1.00 0.00 C ATOM 122 CG PRO A 7 70.738 -15.435 -5.046 1.00 0.00 C ATOM 123 CD PRO A 7 69.541 -14.662 -4.479 1.00 0.00 C ATOM 0 HA PRO A 7 68.103 -16.861 -6.485 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.819 -17.132 -6.352 1.00 0.00 H new ATOM 0 HB3 PRO A 7 70.137 -15.695 -7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.198 -16.061 -4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.509 -14.754 -5.407 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.636 -14.507 -3.404 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.447 -13.677 -4.936 1.00 0.00 H new ATOM 131 N ASP A 8 68.687 -19.100 -5.597 1.00 0.00 N ATOM 132 CA ASP A 8 68.712 -20.406 -4.949 1.00 0.00 C ATOM 133 C ASP A 8 70.156 -20.839 -4.695 1.00 0.00 C ATOM 134 O ASP A 8 70.874 -21.201 -5.627 1.00 0.00 O ATOM 135 CB ASP A 8 68.013 -21.441 -5.834 1.00 0.00 C ATOM 136 CG ASP A 8 67.994 -22.796 -5.134 1.00 0.00 C ATOM 137 OD1 ASP A 8 68.700 -22.942 -4.149 1.00 0.00 O ATOM 138 OD2 ASP A 8 67.285 -23.673 -5.598 1.00 0.00 O ATOM 0 H ASP A 8 68.546 -19.126 -6.607 1.00 0.00 H new ATOM 0 HA ASP A 8 68.188 -20.335 -3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 8 66.994 -21.119 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 8 68.530 -21.523 -6.790 1.00 0.00 H new ATOM 143 N ILE A 9 70.577 -20.807 -3.427 1.00 0.00 N ATOM 144 CA ILE A 9 71.936 -21.208 -3.058 1.00 0.00 C ATOM 145 C ILE A 9 71.923 -22.601 -2.439 1.00 0.00 C ATOM 146 O ILE A 9 72.964 -23.139 -2.060 1.00 0.00 O ATOM 147 CB ILE A 9 72.534 -20.202 -2.066 1.00 0.00 C ATOM 148 CG1 ILE A 9 71.532 -19.905 -0.943 1.00 0.00 C ATOM 149 CG2 ILE A 9 72.885 -18.902 -2.796 1.00 0.00 C ATOM 150 CD1 ILE A 9 72.159 -18.925 0.052 1.00 0.00 C ATOM 0 H ILE A 9 69.998 -20.509 -2.642 1.00 0.00 H new ATOM 0 HA ILE A 9 72.551 -21.226 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 9 73.437 -20.631 -1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.617 -19.483 -1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.254 -20.828 -0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.309 -18.190 -2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 9 73.612 -19.110 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 9 71.984 -18.479 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 9 71.448 -18.713 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 9 73.061 -19.365 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 9 72.414 -17.998 -0.462 1.00 0.00 H new ATOM 162 N GLY A 10 70.733 -23.179 -2.345 1.00 0.00 N ATOM 163 CA GLY A 10 70.581 -24.515 -1.779 1.00 0.00 C ATOM 164 C GLY A 10 69.110 -24.916 -1.726 1.00 0.00 C ATOM 165 O GLY A 10 68.231 -24.133 -2.083 1.00 0.00 O ATOM 0 H GLY A 10 69.861 -22.747 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 10 71.138 -25.235 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 10 71.006 -24.540 -0.776 1.00 0.00 H new ATOM 169 N GLU A 11 68.855 -26.139 -1.273 1.00 0.00 N ATOM 170 CA GLU A 11 67.487 -26.641 -1.167 1.00 0.00 C ATOM 171 C GLU A 11 66.855 -26.178 0.144 1.00 0.00 C ATOM 172 O GLU A 11 67.528 -25.598 0.996 1.00 0.00 O ATOM 173 CB GLU A 11 67.481 -28.172 -1.231 1.00 0.00 C ATOM 174 CG GLU A 11 67.881 -28.646 -2.636 1.00 0.00 C ATOM 175 CD GLU A 11 69.398 -28.614 -2.796 1.00 0.00 C ATOM 176 OE1 GLU A 11 70.062 -28.154 -1.881 1.00 0.00 O ATOM 177 OE2 GLU A 11 69.875 -29.053 -3.829 1.00 0.00 O ATOM 0 H GLU A 11 69.573 -26.799 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 11 66.906 -26.246 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 11 68.173 -28.577 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 11 66.490 -28.550 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 11 67.512 -29.658 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 11 67.416 -28.008 -3.388 1.00 0.00 H new ATOM 184 N GLY A 12 65.558 -26.438 0.296 1.00 0.00 N ATOM 185 CA GLY A 12 64.837 -26.042 1.506 1.00 0.00 C ATOM 186 C GLY A 12 64.180 -24.680 1.316 1.00 0.00 C ATOM 187 O GLY A 12 63.640 -24.102 2.260 1.00 0.00 O ATOM 0 H GLY A 12 64.986 -26.918 -0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 12 64.079 -26.788 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 12 65.525 -26.005 2.351 1.00 0.00 H new ATOM 191 N VAL A 13 64.210 -24.176 0.082 1.00 0.00 N ATOM 192 CA VAL A 13 63.595 -22.879 -0.234 1.00 0.00 C ATOM 193 C VAL A 13 62.638 -23.028 -1.415 1.00 0.00 C ATOM 194 O VAL A 13 62.994 -23.586 -2.452 1.00 0.00 O ATOM 195 CB VAL A 13 64.684 -21.838 -0.559 1.00 0.00 C ATOM 196 CG1 VAL A 13 64.049 -20.593 -1.197 1.00 0.00 C ATOM 197 CG2 VAL A 13 65.401 -21.427 0.738 1.00 0.00 C ATOM 0 H VAL A 13 64.650 -24.640 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 13 63.032 -22.535 0.634 1.00 0.00 H new ATOM 0 HB VAL A 13 65.398 -22.277 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 13 64.827 -19.863 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 13 63.538 -20.876 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 13 63.331 -20.155 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 13 66.172 -20.691 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 13 64.680 -20.994 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 13 65.861 -22.304 1.193 1.00 0.00 H new ATOM 207 N THR A 14 61.417 -22.514 -1.250 1.00 0.00 N ATOM 208 CA THR A 14 60.412 -22.584 -2.311 1.00 0.00 C ATOM 209 C THR A 14 59.546 -21.327 -2.314 1.00 0.00 C ATOM 210 O THR A 14 58.859 -21.038 -3.293 1.00 0.00 O ATOM 211 CB THR A 14 59.528 -23.820 -2.122 1.00 0.00 C ATOM 212 OG1 THR A 14 58.895 -23.764 -0.851 1.00 0.00 O ATOM 213 CG2 THR A 14 60.381 -25.087 -2.219 1.00 0.00 C ATOM 0 H THR A 14 61.103 -22.048 -0.399 1.00 0.00 H new ATOM 0 HA THR A 14 60.929 -22.657 -3.268 1.00 0.00 H new ATOM 0 HB THR A 14 58.768 -23.841 -2.903 1.00 0.00 H new ATOM 0 HG1 THR A 14 59.570 -23.618 -0.156 1.00 0.00 H new ATOM 0 HG21 THR A 14 59.747 -25.963 -2.084 1.00 0.00 H new ATOM 0 HG22 THR A 14 60.857 -25.131 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 14 61.147 -25.070 -1.444 1.00 0.00 H new ATOM 221 N GLU A 15 59.590 -20.574 -1.213 1.00 0.00 N ATOM 222 CA GLU A 15 58.813 -19.335 -1.101 1.00 0.00 C ATOM 223 C GLU A 15 59.584 -18.297 -0.297 1.00 0.00 C ATOM 224 O GLU A 15 60.387 -18.640 0.570 1.00 0.00 O ATOM 225 CB GLU A 15 57.451 -19.587 -0.439 1.00 0.00 C ATOM 226 CG GLU A 15 56.572 -20.446 -1.352 1.00 0.00 C ATOM 227 CD GLU A 15 55.242 -20.732 -0.663 1.00 0.00 C ATOM 228 OE1 GLU A 15 55.078 -20.294 0.463 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.409 -21.384 -1.269 1.00 0.00 O ATOM 0 H GLU A 15 60.151 -20.797 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 15 58.643 -18.961 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.591 -20.087 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 15 56.957 -18.637 -0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 15 56.400 -19.931 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 15 57.080 -21.382 -1.587 1.00 0.00 H new ATOM 236 N GLY A 16 59.337 -17.018 -0.590 1.00 0.00 N ATOM 237 CA GLY A 16 60.018 -15.930 0.110 1.00 0.00 C ATOM 238 C GLY A 16 59.069 -15.233 1.081 1.00 0.00 C ATOM 239 O GLY A 16 58.142 -14.541 0.660 1.00 0.00 O ATOM 0 H GLY A 16 58.674 -16.713 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.878 -16.323 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.400 -15.209 -0.613 1.00 0.00 H new ATOM 243 N GLU A 17 59.309 -15.404 2.385 1.00 0.00 N ATOM 244 CA GLU A 17 58.473 -14.773 3.409 1.00 0.00 C ATOM 245 C GLU A 17 59.347 -13.956 4.351 1.00 0.00 C ATOM 246 O GLU A 17 60.404 -14.410 4.788 1.00 0.00 O ATOM 247 CB GLU A 17 57.710 -15.840 4.200 1.00 0.00 C ATOM 248 CG GLU A 17 56.794 -15.160 5.224 1.00 0.00 C ATOM 249 CD GLU A 17 55.980 -16.203 5.977 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.269 -17.378 5.820 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.077 -15.813 6.699 1.00 0.00 O ATOM 0 H GLU A 17 60.072 -15.972 2.754 1.00 0.00 H new ATOM 0 HA GLU A 17 57.753 -14.115 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.120 -16.458 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.411 -16.503 4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.391 -14.578 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 17 56.126 -14.463 4.718 1.00 0.00 H new ATOM 258 N ILE A 18 58.906 -12.737 4.636 1.00 0.00 N ATOM 259 CA ILE A 18 59.655 -11.827 5.507 1.00 0.00 C ATOM 260 C ILE A 18 59.052 -11.763 6.905 1.00 0.00 C ATOM 261 O ILE A 18 57.904 -11.354 7.081 1.00 0.00 O ATOM 262 CB ILE A 18 59.638 -10.428 4.880 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.221 -10.483 3.448 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.442 -9.451 5.746 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.754 -10.458 3.472 1.00 0.00 C ATOM 0 H ILE A 18 58.032 -12.351 4.278 1.00 0.00 H new ATOM 0 HA ILE A 18 60.676 -12.198 5.602 1.00 0.00 H new ATOM 0 HB ILE A 18 58.608 -10.077 4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.877 -11.388 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.850 -9.638 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.423 -8.461 5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 18 60.002 -9.401 6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.473 -9.796 5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.135 -10.498 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 18 62.095 -9.540 3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.123 -11.318 4.031 1.00 0.00 H new ATOM 277 N VAL A 19 59.846 -12.153 7.902 1.00 0.00 N ATOM 278 CA VAL A 19 59.398 -12.122 9.291 1.00 0.00 C ATOM 279 C VAL A 19 59.732 -10.770 9.930 1.00 0.00 C ATOM 280 O VAL A 19 58.902 -10.189 10.628 1.00 0.00 O ATOM 281 CB VAL A 19 60.067 -13.260 10.069 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.564 -12.984 10.201 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.442 -13.372 11.463 1.00 0.00 C ATOM 0 H VAL A 19 60.799 -12.493 7.773 1.00 0.00 H new ATOM 0 HA VAL A 19 58.317 -12.255 9.321 1.00 0.00 H new ATOM 0 HB VAL A 19 59.918 -14.196 9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 19 62.036 -13.795 10.755 1.00 0.00 H new ATOM 0 HG12 VAL A 19 62.010 -12.914 9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.715 -12.045 10.734 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.921 -14.183 12.012 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.584 -12.435 12.002 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.376 -13.578 11.368 1.00 0.00 H new ATOM 293 N ARG A 20 60.947 -10.260 9.684 1.00 0.00 N ATOM 294 CA ARG A 20 61.354 -8.964 10.249 1.00 0.00 C ATOM 295 C ARG A 20 62.170 -8.150 9.246 1.00 0.00 C ATOM 296 O ARG A 20 62.968 -8.700 8.486 1.00 0.00 O ATOM 297 CB ARG A 20 62.193 -9.178 11.513 1.00 0.00 C ATOM 298 CG ARG A 20 61.304 -9.688 12.648 1.00 0.00 C ATOM 299 CD ARG A 20 62.162 -9.965 13.882 1.00 0.00 C ATOM 300 NE ARG A 20 61.326 -10.418 14.988 1.00 0.00 N ATOM 301 CZ ARG A 20 61.866 -10.849 16.124 1.00 0.00 C ATOM 302 NH1 ARG A 20 63.163 -10.856 16.267 1.00 0.00 N ATOM 303 NH2 ARG A 20 61.101 -11.274 17.091 1.00 0.00 N ATOM 0 H ARG A 20 61.655 -10.715 9.108 1.00 0.00 H new ATOM 0 HA ARG A 20 60.445 -8.413 10.492 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.990 -9.894 11.314 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.671 -8.243 11.806 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.537 -8.950 12.883 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.788 -10.597 12.339 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.911 -10.722 13.650 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.700 -9.062 14.170 1.00 0.00 H new ATOM 0 HE ARG A 20 60.311 -10.404 14.888 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.762 -10.531 15.508 1.00 0.00 H new ATOM 0 HH12 ARG A 20 63.578 -11.186 17.138 1.00 0.00 H new ATOM 0 HH21 ARG A 20 60.087 -11.276 16.976 1.00 0.00 H new ATOM 0 HH22 ARG A 20 61.516 -11.604 17.962 1.00 0.00 H new ATOM 317 N TRP A 21 61.983 -6.827 9.276 1.00 0.00 N ATOM 318 CA TRP A 21 62.729 -5.917 8.392 1.00 0.00 C ATOM 319 C TRP A 21 63.728 -5.119 9.231 1.00 0.00 C ATOM 320 O TRP A 21 63.394 -4.643 10.316 1.00 0.00 O ATOM 321 CB TRP A 21 61.784 -4.932 7.652 1.00 0.00 C ATOM 322 CG TRP A 21 61.369 -5.463 6.309 1.00 0.00 C ATOM 323 CD1 TRP A 21 60.085 -5.655 5.927 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.200 -5.842 5.162 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.070 -6.135 4.634 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.343 -6.270 4.117 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.592 -5.862 4.922 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.843 -6.698 2.887 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.098 -6.295 3.680 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.224 -6.713 2.667 1.00 0.00 C ATOM 0 H TRP A 21 61.324 -6.360 9.900 1.00 0.00 H new ATOM 0 HA TRP A 21 63.244 -6.517 7.642 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.898 -4.750 8.261 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.286 -3.973 7.525 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.214 -5.464 6.536 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.219 -6.363 4.120 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.274 -5.543 5.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.166 -7.016 2.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.164 -6.305 3.508 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.617 -7.046 1.718 1.00 0.00 H new ATOM 341 N ASP A 22 64.950 -4.969 8.728 1.00 0.00 N ATOM 342 CA ASP A 22 65.977 -4.217 9.450 1.00 0.00 C ATOM 343 C ASP A 22 65.997 -2.764 8.991 1.00 0.00 C ATOM 344 O ASP A 22 66.643 -1.918 9.609 1.00 0.00 O ATOM 345 CB ASP A 22 67.352 -4.835 9.197 1.00 0.00 C ATOM 346 CG ASP A 22 67.598 -4.958 7.696 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.626 -5.054 6.963 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.752 -4.953 7.303 1.00 0.00 O ATOM 0 H ASP A 22 65.253 -5.353 7.833 1.00 0.00 H new ATOM 0 HA ASP A 22 65.743 -4.256 10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 22 68.127 -4.218 9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 22 67.411 -5.817 9.666 1.00 0.00 H new ATOM 353 N VAL A 23 65.295 -2.481 7.894 1.00 0.00 N ATOM 354 CA VAL A 23 65.247 -1.126 7.350 1.00 0.00 C ATOM 355 C VAL A 23 63.903 -0.844 6.685 1.00 0.00 C ATOM 356 O VAL A 23 63.180 -1.765 6.306 1.00 0.00 O ATOM 357 CB VAL A 23 66.366 -0.958 6.321 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.716 -1.138 7.011 1.00 0.00 C ATOM 359 CG2 VAL A 23 66.217 -2.014 5.221 1.00 0.00 C ATOM 0 H VAL A 23 64.755 -3.168 7.368 1.00 0.00 H new ATOM 0 HA VAL A 23 65.377 -0.421 8.171 1.00 0.00 H new ATOM 0 HB VAL A 23 66.306 0.037 5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.517 -1.019 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.826 -0.389 7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.770 -2.134 7.450 1.00 0.00 H new ATOM 0 HG21 VAL A 23 67.015 -1.892 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 23 66.277 -3.009 5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 23 65.252 -1.893 4.729 1.00 0.00 H new ATOM 369 N LYS A 24 63.586 0.443 6.530 1.00 0.00 N ATOM 370 CA LYS A 24 62.336 0.864 5.890 1.00 0.00 C ATOM 371 C LYS A 24 62.645 1.894 4.805 1.00 0.00 C ATOM 372 O LYS A 24 63.555 2.710 4.955 1.00 0.00 O ATOM 373 CB LYS A 24 61.400 1.493 6.931 1.00 0.00 C ATOM 374 CG LYS A 24 61.115 0.519 8.086 1.00 0.00 C ATOM 375 CD LYS A 24 60.182 -0.612 7.631 1.00 0.00 C ATOM 376 CE LYS A 24 59.868 -1.516 8.826 1.00 0.00 C ATOM 377 NZ LYS A 24 59.038 -2.668 8.373 1.00 0.00 N ATOM 0 H LYS A 24 64.178 1.214 6.839 1.00 0.00 H new ATOM 0 HA LYS A 24 61.850 -0.006 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 24 61.850 2.405 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 24 60.463 1.780 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 24 62.052 0.098 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 24 60.661 1.058 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 24 59.261 -0.197 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.653 -1.190 6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.793 -1.875 9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 24 59.338 -0.952 9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 58.810 -3.273 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 58.157 -2.315 7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 59.566 -3.221 7.668 1.00 0.00 H new ATOM 391 N GLU A 25 61.886 1.858 3.713 1.00 0.00 N ATOM 392 CA GLU A 25 62.107 2.801 2.618 1.00 0.00 C ATOM 393 C GLU A 25 62.269 4.229 3.138 1.00 0.00 C ATOM 394 O GLU A 25 61.542 4.663 4.033 1.00 0.00 O ATOM 395 CB GLU A 25 60.940 2.740 1.630 1.00 0.00 C ATOM 396 CG GLU A 25 59.611 2.722 2.384 1.00 0.00 C ATOM 397 CD GLU A 25 58.464 2.983 1.413 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.743 3.313 0.273 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.322 2.854 1.826 1.00 0.00 O ATOM 0 H GLU A 25 61.124 1.197 3.562 1.00 0.00 H new ATOM 0 HA GLU A 25 63.029 2.516 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.975 3.600 0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.026 1.849 1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.473 1.758 2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.616 3.480 3.167 1.00 0.00 H new ATOM 406 N GLY A 26 63.229 4.961 2.560 1.00 0.00 N ATOM 407 CA GLY A 26 63.481 6.351 2.953 1.00 0.00 C ATOM 408 C GLY A 26 64.613 6.473 3.976 1.00 0.00 C ATOM 409 O GLY A 26 64.843 7.556 4.516 1.00 0.00 O ATOM 0 H GLY A 26 63.841 4.615 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 26 63.730 6.936 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 26 62.570 6.778 3.371 1.00 0.00 H new ATOM 413 N ASP A 27 65.315 5.370 4.258 1.00 0.00 N ATOM 414 CA ASP A 27 66.412 5.394 5.240 1.00 0.00 C ATOM 415 C ASP A 27 67.687 4.777 4.661 1.00 0.00 C ATOM 416 O ASP A 27 67.631 3.917 3.783 1.00 0.00 O ATOM 417 CB ASP A 27 65.983 4.647 6.503 1.00 0.00 C ATOM 418 CG ASP A 27 65.810 3.158 6.219 1.00 0.00 C ATOM 419 OD1 ASP A 27 65.923 2.774 5.066 1.00 0.00 O ATOM 420 OD2 ASP A 27 65.569 2.424 7.162 1.00 0.00 O ATOM 0 H ASP A 27 65.149 4.460 3.829 1.00 0.00 H new ATOM 0 HA ASP A 27 66.632 6.432 5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.728 4.788 7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.047 5.062 6.876 1.00 0.00 H new ATOM 425 N MET A 28 68.841 5.243 5.153 1.00 0.00 N ATOM 426 CA MET A 28 70.146 4.761 4.675 1.00 0.00 C ATOM 427 C MET A 28 70.781 3.782 5.668 1.00 0.00 C ATOM 428 O MET A 28 70.553 3.870 6.875 1.00 0.00 O ATOM 429 CB MET A 28 71.086 5.952 4.463 1.00 0.00 C ATOM 430 CG MET A 28 70.558 6.813 3.317 1.00 0.00 C ATOM 431 SD MET A 28 71.648 8.238 3.075 1.00 0.00 S ATOM 432 CE MET A 28 70.564 9.162 1.960 1.00 0.00 C ATOM 0 H MET A 28 68.900 5.954 5.882 1.00 0.00 H new ATOM 0 HA MET A 28 69.987 4.235 3.734 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.154 6.543 5.376 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.092 5.600 4.235 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.504 6.224 2.401 1.00 0.00 H new ATOM 0 HG3 MET A 28 69.546 7.150 3.539 1.00 0.00 H new ATOM 0 HE1 MET A 28 71.046 10.097 1.676 1.00 0.00 H new ATOM 0 HE2 MET A 28 70.370 8.568 1.067 1.00 0.00 H new ATOM 0 HE3 MET A 28 69.622 9.378 2.464 1.00 0.00 H new ATOM 442 N VAL A 29 71.581 2.848 5.141 1.00 0.00 N ATOM 443 CA VAL A 29 72.261 1.848 5.979 1.00 0.00 C ATOM 444 C VAL A 29 73.698 1.644 5.502 1.00 0.00 C ATOM 445 O VAL A 29 74.012 1.862 4.333 1.00 0.00 O ATOM 446 CB VAL A 29 71.510 0.499 5.940 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.844 -0.276 4.654 1.00 0.00 C ATOM 448 CG2 VAL A 29 71.925 -0.353 7.148 1.00 0.00 C ATOM 0 H VAL A 29 71.774 2.762 4.143 1.00 0.00 H new ATOM 0 HA VAL A 29 72.270 2.218 7.004 1.00 0.00 H new ATOM 0 HB VAL A 29 70.440 0.703 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.304 -1.223 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 29 71.550 0.315 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.916 -0.470 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.395 -1.305 7.121 1.00 0.00 H new ATOM 0 HG22 VAL A 29 72.999 -0.534 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 29 71.676 0.175 8.068 1.00 0.00 H new ATOM 458 N GLU A 30 74.561 1.215 6.420 1.00 0.00 N ATOM 459 CA GLU A 30 75.965 0.962 6.098 1.00 0.00 C ATOM 460 C GLU A 30 76.202 -0.542 5.961 1.00 0.00 C ATOM 461 O GLU A 30 75.397 -1.347 6.429 1.00 0.00 O ATOM 462 CB GLU A 30 76.859 1.550 7.198 1.00 0.00 C ATOM 463 CG GLU A 30 76.564 0.864 8.535 1.00 0.00 C ATOM 464 CD GLU A 30 77.418 1.482 9.637 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.531 1.887 9.341 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.949 1.540 10.761 1.00 0.00 O ATOM 0 H GLU A 30 74.314 1.035 7.393 1.00 0.00 H new ATOM 0 HA GLU A 30 76.214 1.440 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 30 77.908 1.417 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 30 76.686 2.623 7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 30 75.507 0.968 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.770 -0.204 8.459 1.00 0.00 H new ATOM 473 N LYS A 31 77.295 -0.911 5.300 1.00 0.00 N ATOM 474 CA LYS A 31 77.617 -2.318 5.085 1.00 0.00 C ATOM 475 C LYS A 31 77.919 -3.021 6.409 1.00 0.00 C ATOM 476 O LYS A 31 78.613 -2.465 7.255 1.00 0.00 O ATOM 477 CB LYS A 31 78.835 -2.427 4.157 1.00 0.00 C ATOM 478 CG LYS A 31 79.048 -3.887 3.748 1.00 0.00 C ATOM 479 CD LYS A 31 80.202 -3.980 2.747 1.00 0.00 C ATOM 480 CE LYS A 31 80.411 -5.440 2.342 1.00 0.00 C ATOM 481 NZ LYS A 31 81.501 -5.515 1.329 1.00 0.00 N ATOM 0 H LYS A 31 77.971 -0.257 4.905 1.00 0.00 H new ATOM 0 HA LYS A 31 76.755 -2.803 4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.685 -1.810 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.723 -2.048 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.267 -4.493 4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.136 -4.287 3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 31 79.983 -3.375 1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.114 -3.580 3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 31 80.668 -6.039 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 31 79.489 -5.852 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 81.648 -6.506 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 81.237 -4.955 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 82.380 -5.136 1.736 1.00 0.00 H new ATOM 495 N ASP A 32 77.386 -4.245 6.569 1.00 0.00 N ATOM 496 CA ASP A 32 77.589 -5.055 7.781 1.00 0.00 C ATOM 497 C ASP A 32 76.474 -4.832 8.798 1.00 0.00 C ATOM 498 O ASP A 32 76.636 -4.076 9.756 1.00 0.00 O ATOM 499 CB ASP A 32 78.940 -4.761 8.450 1.00 0.00 C ATOM 500 CG ASP A 32 80.041 -4.674 7.397 1.00 0.00 C ATOM 501 OD1 ASP A 32 80.122 -5.574 6.579 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.785 -3.708 7.425 1.00 0.00 O ATOM 0 H ASP A 32 76.805 -4.698 5.864 1.00 0.00 H new ATOM 0 HA ASP A 32 77.576 -6.095 7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.883 -3.825 9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.176 -5.545 9.170 1.00 0.00 H new ATOM 507 N GLN A 33 75.346 -5.512 8.593 1.00 0.00 N ATOM 508 CA GLN A 33 74.210 -5.407 9.507 1.00 0.00 C ATOM 509 C GLN A 33 73.373 -6.688 9.447 1.00 0.00 C ATOM 510 O GLN A 33 72.566 -6.858 8.533 1.00 0.00 O ATOM 511 CB GLN A 33 73.339 -4.204 9.133 1.00 0.00 C ATOM 512 CG GLN A 33 72.160 -4.111 10.104 1.00 0.00 C ATOM 513 CD GLN A 33 71.390 -2.815 9.872 1.00 0.00 C ATOM 514 OE1 GLN A 33 71.930 -1.865 9.304 1.00 0.00 O ATOM 515 NE2 GLN A 33 70.158 -2.716 10.286 1.00 0.00 N ATOM 0 H GLN A 33 75.195 -6.140 7.804 1.00 0.00 H new ATOM 0 HA GLN A 33 74.587 -5.270 10.520 1.00 0.00 H new ATOM 0 HB2 GLN A 33 73.929 -3.288 9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 33 72.976 -4.308 8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 33 71.498 -4.966 9.967 1.00 0.00 H new ATOM 0 HG3 GLN A 33 72.521 -4.149 11.132 1.00 0.00 H new ATOM 0 HE21 GLN A 33 69.713 -3.504 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 33 69.639 -1.850 10.140 1.00 0.00 H new ATOM 524 N ASP A 34 73.573 -7.600 10.407 1.00 0.00 N ATOM 525 CA ASP A 34 72.830 -8.863 10.420 1.00 0.00 C ATOM 526 C ASP A 34 71.614 -8.794 11.338 1.00 0.00 C ATOM 527 O ASP A 34 71.631 -9.335 12.443 1.00 0.00 O ATOM 528 CB ASP A 34 73.741 -9.999 10.888 1.00 0.00 C ATOM 529 CG ASP A 34 74.239 -9.713 12.300 1.00 0.00 C ATOM 530 OD1 ASP A 34 73.938 -8.644 12.805 1.00 0.00 O ATOM 531 OD2 ASP A 34 74.918 -10.562 12.853 1.00 0.00 O ATOM 0 H ASP A 34 74.235 -7.488 11.175 1.00 0.00 H new ATOM 0 HA ASP A 34 72.485 -9.049 9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 34 73.198 -10.944 10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.587 -10.103 10.208 1.00 0.00 H new ATOM 536 N LEU A 35 70.549 -8.142 10.869 1.00 0.00 N ATOM 537 CA LEU A 35 69.316 -8.032 11.653 1.00 0.00 C ATOM 538 C LEU A 35 68.096 -8.163 10.743 1.00 0.00 C ATOM 539 O LEU A 35 67.014 -7.668 11.060 1.00 0.00 O ATOM 540 CB LEU A 35 69.267 -6.698 12.407 1.00 0.00 C ATOM 541 CG LEU A 35 70.303 -6.691 13.547 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.367 -5.290 14.171 1.00 0.00 C ATOM 543 CD2 LEU A 35 69.925 -7.730 14.630 1.00 0.00 C ATOM 0 H LEU A 35 70.514 -7.685 9.958 1.00 0.00 H new ATOM 0 HA LEU A 35 69.304 -8.842 12.382 1.00 0.00 H new ATOM 0 HB2 LEU A 35 69.467 -5.876 11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.268 -6.538 12.813 1.00 0.00 H new ATOM 0 HG LEU A 35 71.279 -6.955 13.139 1.00 0.00 H new ATOM 0 HD11 LEU A 35 71.100 -5.284 14.978 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.659 -4.566 13.410 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.388 -5.024 14.569 1.00 0.00 H new ATOM 0 HD21 LEU A 35 70.668 -7.711 15.427 1.00 0.00 H new ATOM 0 HD22 LEU A 35 68.945 -7.487 15.041 1.00 0.00 H new ATOM 0 HD23 LEU A 35 69.895 -8.725 14.185 1.00 0.00 H new ATOM 555 N VAL A 36 68.287 -8.853 9.616 1.00 0.00 N ATOM 556 CA VAL A 36 67.215 -9.091 8.642 1.00 0.00 C ATOM 557 C VAL A 36 67.010 -10.605 8.555 1.00 0.00 C ATOM 558 O VAL A 36 67.979 -11.356 8.439 1.00 0.00 O ATOM 559 CB VAL A 36 67.593 -8.466 7.253 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.980 -7.817 7.337 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.614 -9.526 6.139 1.00 0.00 C ATOM 0 H VAL A 36 69.184 -9.261 9.352 1.00 0.00 H new ATOM 0 HA VAL A 36 66.285 -8.614 8.951 1.00 0.00 H new ATOM 0 HB VAL A 36 66.834 -7.722 7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.238 -7.384 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 36 68.970 -7.033 8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.719 -8.572 7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.880 -9.054 5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 36 68.349 -10.294 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.628 -9.982 6.052 1.00 0.00 H new ATOM 571 N GLU A 37 65.758 -11.052 8.638 1.00 0.00 N ATOM 572 CA GLU A 37 65.455 -12.487 8.592 1.00 0.00 C ATOM 573 C GLU A 37 64.470 -12.816 7.476 1.00 0.00 C ATOM 574 O GLU A 37 63.424 -12.181 7.340 1.00 0.00 O ATOM 575 CB GLU A 37 64.878 -12.919 9.940 1.00 0.00 C ATOM 576 CG GLU A 37 65.967 -12.836 11.012 1.00 0.00 C ATOM 577 CD GLU A 37 65.376 -13.182 12.374 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.198 -13.496 12.424 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.108 -13.122 13.348 1.00 0.00 O ATOM 0 H GLU A 37 64.941 -10.449 8.737 1.00 0.00 H new ATOM 0 HA GLU A 37 66.378 -13.029 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.038 -12.279 10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.495 -13.937 9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.779 -13.522 10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.393 -11.833 11.034 1.00 0.00 H new ATOM 586 N VAL A 38 64.818 -13.831 6.685 1.00 0.00 N ATOM 587 CA VAL A 38 63.973 -14.282 5.576 1.00 0.00 C ATOM 588 C VAL A 38 63.509 -15.713 5.848 1.00 0.00 C ATOM 589 O VAL A 38 64.331 -16.606 6.059 1.00 0.00 O ATOM 590 CB VAL A 38 64.784 -14.245 4.273 1.00 0.00 C ATOM 591 CG1 VAL A 38 63.862 -14.208 3.051 1.00 0.00 C ATOM 592 CG2 VAL A 38 65.694 -13.012 4.269 1.00 0.00 C ATOM 0 H VAL A 38 65.684 -14.360 6.792 1.00 0.00 H new ATOM 0 HA VAL A 38 63.106 -13.628 5.483 1.00 0.00 H new ATOM 0 HB VAL A 38 65.388 -15.151 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 38 64.463 -14.182 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.232 -15.097 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 38 63.234 -13.318 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.269 -12.987 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 38 65.086 -12.111 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.376 -13.060 5.118 1.00 0.00 H new ATOM 602 N MET A 39 62.196 -15.934 5.842 1.00 0.00 N ATOM 603 CA MET A 39 61.641 -17.270 6.098 1.00 0.00 C ATOM 604 C MET A 39 61.020 -17.851 4.832 1.00 0.00 C ATOM 605 O MET A 39 60.653 -17.118 3.914 1.00 0.00 O ATOM 606 CB MET A 39 60.586 -17.188 7.205 1.00 0.00 C ATOM 607 CG MET A 39 60.116 -18.597 7.572 1.00 0.00 C ATOM 608 SD MET A 39 59.082 -18.531 9.057 1.00 0.00 S ATOM 609 CE MET A 39 57.521 -18.117 8.249 1.00 0.00 C ATOM 0 H MET A 39 61.497 -15.213 5.664 1.00 0.00 H new ATOM 0 HA MET A 39 62.451 -17.926 6.415 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.003 -16.693 8.082 1.00 0.00 H new ATOM 0 HB3 MET A 39 59.740 -16.587 6.871 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.553 -19.030 6.745 1.00 0.00 H new ATOM 0 HG3 MET A 39 60.976 -19.244 7.745 1.00 0.00 H new ATOM 0 HE1 MET A 39 56.704 -18.219 8.963 1.00 0.00 H new ATOM 0 HE2 MET A 39 57.560 -17.090 7.886 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.356 -18.792 7.409 1.00 0.00 H new ATOM 619 N THR A 40 60.913 -19.178 4.795 1.00 0.00 N ATOM 620 CA THR A 40 60.344 -19.882 3.646 1.00 0.00 C ATOM 621 C THR A 40 59.394 -20.981 4.123 1.00 0.00 C ATOM 622 O THR A 40 58.392 -20.699 4.781 1.00 0.00 O ATOM 623 CB THR A 40 61.471 -20.491 2.805 1.00 0.00 C ATOM 624 OG1 THR A 40 60.928 -21.429 1.886 1.00 0.00 O ATOM 625 CG2 THR A 40 62.479 -21.187 3.721 1.00 0.00 C ATOM 0 H THR A 40 61.215 -19.791 5.552 1.00 0.00 H new ATOM 0 HA THR A 40 59.783 -19.175 3.035 1.00 0.00 H new ATOM 0 HB THR A 40 61.977 -19.699 2.252 1.00 0.00 H new ATOM 0 HG1 THR A 40 60.056 -21.111 1.571 1.00 0.00 H new ATOM 0 HG21 THR A 40 63.279 -21.619 3.120 1.00 0.00 H new ATOM 0 HG22 THR A 40 62.900 -20.461 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 40 61.978 -21.977 4.280 1.00 0.00 H new ATOM 633 N ASP A 41 59.712 -22.231 3.802 1.00 0.00 N ATOM 634 CA ASP A 41 58.859 -23.351 4.226 1.00 0.00 C ATOM 635 C ASP A 41 58.835 -23.468 5.748 1.00 0.00 C ATOM 636 O ASP A 41 57.766 -23.549 6.351 1.00 0.00 O ATOM 637 CB ASP A 41 59.385 -24.658 3.632 1.00 0.00 C ATOM 638 CG ASP A 41 59.138 -24.690 2.126 1.00 0.00 C ATOM 639 OD1 ASP A 41 58.473 -23.793 1.633 1.00 0.00 O ATOM 640 OD2 ASP A 41 59.612 -25.616 1.488 1.00 0.00 O ATOM 0 H ASP A 41 60.535 -22.498 3.261 1.00 0.00 H new ATOM 0 HA ASP A 41 57.847 -23.162 3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 41 60.452 -24.755 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 41 58.892 -25.506 4.107 1.00 0.00 H new ATOM 645 N LYS A 42 60.017 -23.460 6.367 1.00 0.00 N ATOM 646 CA LYS A 42 60.099 -23.563 7.829 1.00 0.00 C ATOM 647 C LYS A 42 61.540 -23.421 8.321 1.00 0.00 C ATOM 648 O LYS A 42 62.048 -24.300 9.015 1.00 0.00 O ATOM 649 CB LYS A 42 59.546 -24.919 8.299 1.00 0.00 C ATOM 650 CG LYS A 42 59.227 -24.857 9.796 1.00 0.00 C ATOM 651 CD LYS A 42 58.576 -26.169 10.233 1.00 0.00 C ATOM 652 CE LYS A 42 58.311 -26.136 11.739 1.00 0.00 C ATOM 653 NZ LYS A 42 57.311 -25.073 12.040 1.00 0.00 N ATOM 0 H LYS A 42 60.916 -23.385 5.892 1.00 0.00 H new ATOM 0 HA LYS A 42 59.503 -22.751 8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 42 58.647 -25.171 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 42 60.274 -25.706 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.140 -24.684 10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.559 -24.021 10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.641 -26.320 9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 42 59.226 -27.009 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 42 57.942 -27.105 12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 42 59.238 -25.943 12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.902 -25.238 12.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.777 -24.143 12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 56.555 -25.095 11.326 1.00 0.00 H new ATOM 667 N VAL A 43 62.199 -22.316 7.972 1.00 0.00 N ATOM 668 CA VAL A 43 63.578 -22.098 8.411 1.00 0.00 C ATOM 669 C VAL A 43 63.928 -20.615 8.387 1.00 0.00 C ATOM 670 O VAL A 43 63.397 -19.852 7.581 1.00 0.00 O ATOM 671 CB VAL A 43 64.568 -22.892 7.542 1.00 0.00 C ATOM 672 CG1 VAL A 43 64.373 -22.556 6.061 1.00 0.00 C ATOM 673 CG2 VAL A 43 66.001 -22.547 7.966 1.00 0.00 C ATOM 0 H VAL A 43 61.809 -21.569 7.397 1.00 0.00 H new ATOM 0 HA VAL A 43 63.658 -22.457 9.437 1.00 0.00 H new ATOM 0 HB VAL A 43 64.387 -23.958 7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 43 65.082 -23.127 5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.357 -22.811 5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 43 64.541 -21.491 5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 43 66.707 -23.107 7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 43 66.173 -21.479 7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 43 66.143 -22.809 9.014 1.00 0.00 H new ATOM 683 N THR A 44 64.833 -20.214 9.281 1.00 0.00 N ATOM 684 CA THR A 44 65.266 -18.815 9.364 1.00 0.00 C ATOM 685 C THR A 44 66.704 -18.688 8.873 1.00 0.00 C ATOM 686 O THR A 44 67.618 -19.299 9.426 1.00 0.00 O ATOM 687 CB THR A 44 65.170 -18.342 10.822 1.00 0.00 C ATOM 688 OG1 THR A 44 63.961 -18.834 11.383 1.00 0.00 O ATOM 689 CG2 THR A 44 65.165 -16.811 10.894 1.00 0.00 C ATOM 0 H THR A 44 65.280 -20.834 9.956 1.00 0.00 H new ATOM 0 HA THR A 44 64.623 -18.197 8.737 1.00 0.00 H new ATOM 0 HB THR A 44 66.032 -18.717 11.374 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.889 -18.540 12.315 1.00 0.00 H new ATOM 0 HG21 THR A 44 65.096 -16.496 11.935 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.085 -16.423 10.457 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.310 -16.424 10.341 1.00 0.00 H new ATOM 697 N VAL A 45 66.892 -17.886 7.829 1.00 0.00 N ATOM 698 CA VAL A 45 68.217 -17.667 7.246 1.00 0.00 C ATOM 699 C VAL A 45 68.652 -16.219 7.469 1.00 0.00 C ATOM 700 O VAL A 45 68.005 -15.289 6.979 1.00 0.00 O ATOM 701 CB VAL A 45 68.160 -17.960 5.736 1.00 0.00 C ATOM 702 CG1 VAL A 45 69.562 -18.257 5.182 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.264 -19.177 5.490 1.00 0.00 C ATOM 0 H VAL A 45 66.141 -17.374 7.366 1.00 0.00 H new ATOM 0 HA VAL A 45 68.936 -18.332 7.724 1.00 0.00 H new ATOM 0 HB VAL A 45 67.759 -17.082 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.495 -18.461 4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 45 70.209 -17.395 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.978 -19.126 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.221 -19.387 4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.672 -20.041 6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 45 66.260 -18.970 5.859 1.00 0.00 H new ATOM 713 N LYS A 46 69.754 -16.033 8.193 1.00 0.00 N ATOM 714 CA LYS A 46 70.272 -14.691 8.456 1.00 0.00 C ATOM 715 C LYS A 46 71.218 -14.269 7.338 1.00 0.00 C ATOM 716 O LYS A 46 72.081 -15.041 6.918 1.00 0.00 O ATOM 717 CB LYS A 46 71.010 -14.667 9.799 1.00 0.00 C ATOM 718 CG LYS A 46 70.001 -14.801 10.944 1.00 0.00 C ATOM 719 CD LYS A 46 70.746 -14.784 12.280 1.00 0.00 C ATOM 720 CE LYS A 46 69.743 -14.818 13.434 1.00 0.00 C ATOM 721 NZ LYS A 46 68.957 -16.083 13.374 1.00 0.00 N ATOM 0 H LYS A 46 70.302 -16.788 8.605 1.00 0.00 H new ATOM 0 HA LYS A 46 69.436 -13.992 8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.734 -15.481 9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.569 -13.737 9.901 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.280 -13.984 10.906 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.438 -15.728 10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.416 -15.641 12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.365 -13.889 12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.267 -14.748 14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 46 69.075 -13.959 13.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.492 -16.247 14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 68.236 -16.009 12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 69.594 -16.878 13.162 1.00 0.00 H new ATOM 735 N ILE A 47 71.050 -13.041 6.852 1.00 0.00 N ATOM 736 CA ILE A 47 71.891 -12.523 5.768 1.00 0.00 C ATOM 737 C ILE A 47 72.129 -11.013 5.951 1.00 0.00 C ATOM 738 O ILE A 47 71.173 -10.238 5.921 1.00 0.00 O ATOM 739 CB ILE A 47 71.203 -12.773 4.421 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.608 -14.186 4.412 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.226 -12.643 3.287 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.035 -14.497 3.028 1.00 0.00 C ATOM 0 H ILE A 47 70.343 -12.386 7.188 1.00 0.00 H new ATOM 0 HA ILE A 47 72.852 -13.037 5.791 1.00 0.00 H new ATOM 0 HB ILE A 47 70.410 -12.039 4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.376 -14.916 4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 47 69.825 -14.266 5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.734 -12.821 2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.652 -11.640 3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.021 -13.376 3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.613 -15.502 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.254 -13.776 2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.829 -14.435 2.283 1.00 0.00 H new ATOM 754 N PRO A 48 73.359 -10.568 6.136 1.00 0.00 N ATOM 755 CA PRO A 48 73.655 -9.114 6.320 1.00 0.00 C ATOM 756 C PRO A 48 73.642 -8.364 4.987 1.00 0.00 C ATOM 757 O PRO A 48 74.076 -8.897 3.967 1.00 0.00 O ATOM 758 CB PRO A 48 75.049 -9.123 6.958 1.00 0.00 C ATOM 759 CG PRO A 48 75.710 -10.341 6.402 1.00 0.00 C ATOM 760 CD PRO A 48 74.595 -11.375 6.185 1.00 0.00 C ATOM 0 HA PRO A 48 72.913 -8.599 6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.606 -8.220 6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 48 74.987 -9.167 8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.218 -10.114 5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.465 -10.722 7.090 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.743 -11.933 5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.564 -12.103 6.995 1.00 0.00 H new ATOM 768 N SER A 49 73.142 -7.127 4.996 1.00 0.00 N ATOM 769 CA SER A 49 73.084 -6.332 3.771 1.00 0.00 C ATOM 770 C SER A 49 74.429 -6.412 3.029 1.00 0.00 C ATOM 771 O SER A 49 75.410 -5.833 3.496 1.00 0.00 O ATOM 772 CB SER A 49 72.780 -4.874 4.117 1.00 0.00 C ATOM 773 OG SER A 49 71.564 -4.815 4.853 1.00 0.00 O ATOM 0 H SER A 49 72.776 -6.660 5.826 1.00 0.00 H new ATOM 0 HA SER A 49 72.296 -6.726 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.595 -4.448 4.702 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.698 -4.281 3.206 1.00 0.00 H new ATOM 0 HG SER A 49 71.364 -3.883 5.080 1.00 0.00 H new ATOM 779 N PRO A 50 74.529 -7.130 1.921 1.00 0.00 N ATOM 780 CA PRO A 50 75.833 -7.263 1.193 1.00 0.00 C ATOM 781 C PRO A 50 76.346 -5.960 0.559 1.00 0.00 C ATOM 782 O PRO A 50 77.549 -5.818 0.344 1.00 0.00 O ATOM 783 CB PRO A 50 75.559 -8.344 0.126 1.00 0.00 C ATOM 784 CG PRO A 50 74.077 -8.343 -0.083 1.00 0.00 C ATOM 785 CD PRO A 50 73.444 -7.890 1.238 1.00 0.00 C ATOM 0 HA PRO A 50 76.632 -7.527 1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 50 76.085 -8.120 -0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 50 75.906 -9.321 0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 50 73.801 -7.670 -0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 50 73.725 -9.337 -0.360 1.00 0.00 H new ATOM 0 HD2 PRO A 50 72.567 -7.265 1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 50 73.117 -8.741 1.835 1.00 0.00 H new ATOM 793 N VAL A 51 75.449 -5.022 0.235 1.00 0.00 N ATOM 794 CA VAL A 51 75.868 -3.766 -0.399 1.00 0.00 C ATOM 795 C VAL A 51 75.134 -2.556 0.202 1.00 0.00 C ATOM 796 O VAL A 51 73.904 -2.505 0.187 1.00 0.00 O ATOM 797 CB VAL A 51 75.578 -3.858 -1.910 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.422 -2.836 -2.681 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.913 -5.273 -2.391 1.00 0.00 C ATOM 0 H VAL A 51 74.445 -5.105 0.397 1.00 0.00 H new ATOM 0 HA VAL A 51 76.934 -3.622 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 51 74.525 -3.641 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.205 -2.914 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.182 -1.831 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.480 -3.035 -2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.712 -5.351 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.966 -5.481 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 51 75.299 -5.995 -1.853 1.00 0.00 H new ATOM 809 N ARG A 52 75.895 -1.579 0.711 1.00 0.00 N ATOM 810 CA ARG A 52 75.305 -0.373 1.289 1.00 0.00 C ATOM 811 C ARG A 52 75.033 0.656 0.191 1.00 0.00 C ATOM 812 O ARG A 52 75.741 0.694 -0.814 1.00 0.00 O ATOM 813 CB ARG A 52 76.265 0.223 2.328 1.00 0.00 C ATOM 814 CG ARG A 52 77.599 0.588 1.663 1.00 0.00 C ATOM 815 CD ARG A 52 78.529 1.219 2.701 1.00 0.00 C ATOM 816 NE ARG A 52 79.804 1.570 2.083 1.00 0.00 N ATOM 817 CZ ARG A 52 79.981 2.742 1.479 1.00 0.00 C ATOM 818 NH1 ARG A 52 78.996 3.597 1.414 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.132 3.032 0.940 1.00 0.00 N ATOM 0 H ARG A 52 76.914 -1.603 0.733 1.00 0.00 H new ATOM 0 HA ARG A 52 74.363 -0.634 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 52 75.820 1.110 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.434 -0.493 3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.062 -0.303 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.430 1.283 0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.064 2.109 3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.694 0.523 3.524 1.00 0.00 H new ATOM 0 HE ARG A 52 80.575 0.903 2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 52 78.092 3.366 1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 52 79.131 4.496 0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 52 81.898 2.360 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 52 81.266 3.931 0.477 1.00 0.00 H new ATOM 833 N GLY A 53 74.006 1.482 0.383 1.00 0.00 N ATOM 834 CA GLY A 53 73.670 2.497 -0.613 1.00 0.00 C ATOM 835 C GLY A 53 72.410 3.267 -0.214 1.00 0.00 C ATOM 836 O GLY A 53 72.272 3.680 0.938 1.00 0.00 O ATOM 0 H GLY A 53 73.401 1.470 1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.503 3.191 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.518 2.023 -1.583 1.00 0.00 H new ATOM 840 N LYS A 54 71.491 3.467 -1.169 1.00 0.00 N ATOM 841 CA LYS A 54 70.248 4.202 -0.895 1.00 0.00 C ATOM 842 C LYS A 54 69.030 3.379 -1.303 1.00 0.00 C ATOM 843 O LYS A 54 68.970 2.844 -2.410 1.00 0.00 O ATOM 844 CB LYS A 54 70.253 5.524 -1.673 1.00 0.00 C ATOM 845 CG LYS A 54 69.178 6.459 -1.111 1.00 0.00 C ATOM 846 CD LYS A 54 69.251 7.815 -1.813 1.00 0.00 C ATOM 847 CE LYS A 54 68.158 8.727 -1.253 1.00 0.00 C ATOM 848 NZ LYS A 54 68.225 10.055 -1.926 1.00 0.00 N ATOM 0 H LYS A 54 71.583 3.134 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 54 70.192 4.400 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.233 5.996 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.068 5.335 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.191 6.019 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.319 6.587 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.232 8.265 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.122 7.690 -2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.178 8.277 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 54 68.285 8.846 -0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.482 10.675 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 69.156 10.485 -1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.084 9.933 -2.949 1.00 0.00 H new ATOM 862 N ILE A 55 68.051 3.282 -0.400 1.00 0.00 N ATOM 863 CA ILE A 55 66.830 2.525 -0.677 1.00 0.00 C ATOM 864 C ILE A 55 65.761 3.477 -1.222 1.00 0.00 C ATOM 865 O ILE A 55 65.388 4.443 -0.557 1.00 0.00 O ATOM 866 CB ILE A 55 66.342 1.876 0.625 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.537 1.326 1.410 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.382 0.732 0.321 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.395 0.440 0.507 1.00 0.00 C ATOM 0 H ILE A 55 68.080 3.715 0.523 1.00 0.00 H new ATOM 0 HA ILE A 55 67.027 1.749 -1.416 1.00 0.00 H new ATOM 0 HB ILE A 55 65.826 2.633 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.136 2.149 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.186 0.753 2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.045 0.282 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.522 1.115 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.892 -0.020 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.242 0.054 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.796 -0.392 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.760 1.026 -0.337 1.00 0.00 H new ATOM 881 N VAL A 56 65.306 3.221 -2.453 1.00 0.00 N ATOM 882 CA VAL A 56 64.316 4.089 -3.103 1.00 0.00 C ATOM 883 C VAL A 56 62.870 3.616 -2.880 1.00 0.00 C ATOM 884 O VAL A 56 62.007 4.420 -2.531 1.00 0.00 O ATOM 885 CB VAL A 56 64.623 4.163 -4.614 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.429 4.751 -5.380 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.848 5.054 -4.845 1.00 0.00 C ATOM 0 H VAL A 56 65.605 2.425 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 56 64.394 5.077 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 56 64.818 3.154 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.665 4.795 -6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.553 4.120 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.220 5.756 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.064 5.106 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.646 6.056 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.707 4.635 -4.321 1.00 0.00 H new ATOM 897 N LYS A 57 62.592 2.328 -3.117 1.00 0.00 N ATOM 898 CA LYS A 57 61.221 1.818 -2.968 1.00 0.00 C ATOM 899 C LYS A 57 61.189 0.358 -2.531 1.00 0.00 C ATOM 900 O LYS A 57 62.084 -0.419 -2.857 1.00 0.00 O ATOM 901 CB LYS A 57 60.477 1.953 -4.295 1.00 0.00 C ATOM 902 CG LYS A 57 61.222 1.186 -5.389 1.00 0.00 C ATOM 903 CD LYS A 57 60.494 1.371 -6.722 1.00 0.00 C ATOM 904 CE LYS A 57 61.257 0.644 -7.830 1.00 0.00 C ATOM 905 NZ LYS A 57 60.527 0.805 -9.120 1.00 0.00 N ATOM 0 H LYS A 57 63.280 1.633 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 57 60.739 2.412 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 57 59.463 1.567 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.392 3.005 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 57 62.247 1.547 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 57 61.276 0.127 -5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 57 59.479 0.981 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 57 60.412 2.432 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 57 62.266 1.047 -7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 57 61.357 -0.413 -7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 61.044 0.311 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 59.573 0.400 -9.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 60.454 1.816 -9.354 1.00 0.00 H new ATOM 919 N ILE A 58 60.132 -0.017 -1.800 1.00 0.00 N ATOM 920 CA ILE A 58 59.973 -1.391 -1.324 1.00 0.00 C ATOM 921 C ILE A 58 58.603 -1.947 -1.707 1.00 0.00 C ATOM 922 O ILE A 58 57.571 -1.321 -1.466 1.00 0.00 O ATOM 923 CB ILE A 58 60.154 -1.403 0.193 1.00 0.00 C ATOM 924 CG1 ILE A 58 60.074 -2.830 0.726 1.00 0.00 C ATOM 925 CG2 ILE A 58 59.059 -0.566 0.854 1.00 0.00 C ATOM 926 CD1 ILE A 58 60.244 -2.816 2.248 1.00 0.00 C ATOM 0 H ILE A 58 59.377 0.612 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 58 60.724 -2.027 -1.791 1.00 0.00 H new ATOM 0 HB ILE A 58 61.133 -0.984 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.115 -3.276 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.849 -3.445 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 58 59.194 -0.579 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 58 59.118 0.461 0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 58 58.083 -0.982 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 58 60.187 -3.835 2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 58 61.213 -2.387 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 58 59.453 -2.216 2.697 1.00 0.00 H new ATOM 938 N LEU A 59 58.612 -3.132 -2.322 1.00 0.00 N ATOM 939 CA LEU A 59 57.379 -3.788 -2.762 1.00 0.00 C ATOM 940 C LEU A 59 56.924 -4.843 -1.751 1.00 0.00 C ATOM 941 O LEU A 59 55.775 -5.285 -1.779 1.00 0.00 O ATOM 942 CB LEU A 59 57.619 -4.462 -4.116 1.00 0.00 C ATOM 943 CG LEU A 59 57.906 -3.406 -5.192 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.447 -4.102 -6.447 1.00 0.00 C ATOM 945 CD2 LEU A 59 56.620 -2.631 -5.548 1.00 0.00 C ATOM 0 H LEU A 59 59.462 -3.658 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 59 56.600 -3.031 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.458 -5.154 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.745 -5.050 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 59 58.643 -2.700 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.653 -3.357 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.366 -4.633 -6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.707 -4.811 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 59 56.844 -1.887 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 59 55.870 -3.325 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.237 -2.133 -4.657 1.00 0.00 H new ATOM 957 N TYR A 60 57.837 -5.254 -0.873 1.00 0.00 N ATOM 958 CA TYR A 60 57.532 -6.275 0.136 1.00 0.00 C ATOM 959 C TYR A 60 57.110 -5.642 1.459 1.00 0.00 C ATOM 960 O TYR A 60 57.642 -4.613 1.874 1.00 0.00 O ATOM 961 CB TYR A 60 58.761 -7.181 0.349 1.00 0.00 C ATOM 962 CG TYR A 60 58.840 -8.198 -0.780 1.00 0.00 C ATOM 963 CD1 TYR A 60 59.234 -7.794 -2.067 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.513 -9.545 -0.546 1.00 0.00 C ATOM 965 CE1 TYR A 60 59.297 -8.730 -3.108 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.580 -10.475 -1.589 1.00 0.00 C ATOM 967 CZ TYR A 60 58.971 -10.069 -2.866 1.00 0.00 C ATOM 968 OH TYR A 60 59.031 -10.991 -3.891 1.00 0.00 O ATOM 0 H TYR A 60 58.792 -4.899 -0.837 1.00 0.00 H new ATOM 0 HA TYR A 60 56.697 -6.874 -0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.670 -6.580 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.688 -7.692 1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.488 -6.761 -2.254 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.210 -9.862 0.441 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.597 -8.418 -4.097 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.329 -11.509 -1.406 1.00 0.00 H new ATOM 0 HH TYR A 60 58.774 -11.874 -3.552 1.00 0.00 H new ATOM 978 N ARG A 61 56.144 -6.290 2.115 1.00 0.00 N ATOM 979 CA ARG A 61 55.623 -5.827 3.401 1.00 0.00 C ATOM 980 C ARG A 61 55.715 -6.956 4.424 1.00 0.00 C ATOM 981 O ARG A 61 55.836 -8.125 4.059 1.00 0.00 O ATOM 982 CB ARG A 61 54.168 -5.379 3.249 1.00 0.00 C ATOM 983 CG ARG A 61 54.120 -4.115 2.389 1.00 0.00 C ATOM 984 CD ARG A 61 52.664 -3.694 2.175 1.00 0.00 C ATOM 985 NE ARG A 61 52.604 -2.491 1.347 1.00 0.00 N ATOM 986 CZ ARG A 61 52.652 -1.274 1.884 1.00 0.00 C ATOM 987 NH1 ARG A 61 52.771 -1.134 3.176 1.00 0.00 N ATOM 988 NH2 ARG A 61 52.582 -0.225 1.112 1.00 0.00 N ATOM 0 H ARG A 61 55.705 -7.144 1.772 1.00 0.00 H new ATOM 0 HA ARG A 61 56.217 -4.979 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.577 -6.170 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.730 -5.184 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.674 -3.311 2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.601 -4.298 1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.111 -4.502 1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.187 -3.507 3.137 1.00 0.00 H new ATOM 0 HE ARG A 61 52.524 -2.586 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 61 52.827 -1.958 3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 61 52.808 -0.201 3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 61 52.491 -0.340 0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 61 52.618 0.710 1.518 1.00 0.00 H new ATOM 1002 N GLU A 62 55.680 -6.597 5.700 1.00 0.00 N ATOM 1003 CA GLU A 62 55.785 -7.588 6.768 1.00 0.00 C ATOM 1004 C GLU A 62 54.700 -8.656 6.650 1.00 0.00 C ATOM 1005 O GLU A 62 53.514 -8.342 6.548 1.00 0.00 O ATOM 1006 CB GLU A 62 55.667 -6.903 8.133 1.00 0.00 C ATOM 1007 CG GLU A 62 56.897 -6.026 8.384 1.00 0.00 C ATOM 1008 CD GLU A 62 56.753 -5.295 9.714 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.746 -5.497 10.373 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.654 -4.546 10.056 1.00 0.00 O ATOM 0 H GLU A 62 55.580 -5.634 6.022 1.00 0.00 H new ATOM 0 HA GLU A 62 56.758 -8.070 6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.763 -6.295 8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.577 -7.653 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.797 -6.641 8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.012 -5.306 7.574 1.00 0.00 H new ATOM 1017 N GLY A 63 55.114 -9.922 6.687 1.00 0.00 N ATOM 1018 CA GLY A 63 54.157 -11.035 6.604 1.00 0.00 C ATOM 1019 C GLY A 63 53.803 -11.366 5.157 1.00 0.00 C ATOM 1020 O GLY A 63 52.966 -12.230 4.900 1.00 0.00 O ATOM 0 H GLY A 63 56.090 -10.205 6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.580 -11.916 7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 63 53.250 -10.777 7.151 1.00 0.00 H new ATOM 1024 N GLN A 64 54.442 -10.679 4.218 1.00 0.00 N ATOM 1025 CA GLN A 64 54.173 -10.914 2.802 1.00 0.00 C ATOM 1026 C GLN A 64 54.860 -12.192 2.316 1.00 0.00 C ATOM 1027 O GLN A 64 56.046 -12.411 2.562 1.00 0.00 O ATOM 1028 CB GLN A 64 54.656 -9.717 1.978 1.00 0.00 C ATOM 1029 CG GLN A 64 54.192 -9.862 0.526 1.00 0.00 C ATOM 1030 CD GLN A 64 52.675 -9.731 0.439 1.00 0.00 C ATOM 1031 OE1 GLN A 64 52.085 -8.869 1.092 1.00 0.00 O ATOM 1032 NE2 GLN A 64 52.007 -10.524 -0.351 1.00 0.00 N ATOM 0 H GLN A 64 55.143 -9.962 4.406 1.00 0.00 H new ATOM 0 HA GLN A 64 53.098 -11.036 2.673 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.267 -8.792 2.402 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.743 -9.653 2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.666 -9.099 -0.092 1.00 0.00 H new ATOM 0 HG3 GLN A 64 54.503 -10.830 0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.497 -11.237 -0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 64 50.994 -10.431 -0.429 1.00 0.00 H new ATOM 1041 N VAL A 65 54.098 -13.024 1.606 1.00 0.00 N ATOM 1042 CA VAL A 65 54.613 -14.288 1.055 1.00 0.00 C ATOM 1043 C VAL A 65 54.456 -14.291 -0.467 1.00 0.00 C ATOM 1044 O VAL A 65 53.366 -14.035 -0.978 1.00 0.00 O ATOM 1045 CB VAL A 65 53.806 -15.463 1.622 1.00 0.00 C ATOM 1046 CG1 VAL A 65 54.340 -16.781 1.052 1.00 0.00 C ATOM 1047 CG2 VAL A 65 53.881 -15.486 3.158 1.00 0.00 C ATOM 0 H VAL A 65 53.116 -12.848 1.395 1.00 0.00 H new ATOM 0 HA VAL A 65 55.665 -14.386 1.325 1.00 0.00 H new ATOM 0 HB VAL A 65 52.763 -15.340 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 65 53.764 -17.613 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 65 54.248 -16.771 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 65 55.388 -16.898 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.302 -16.327 3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.920 -15.591 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 65 53.475 -14.556 3.556 1.00 0.00 H new ATOM 1057 N VAL A 66 55.541 -14.586 -1.189 1.00 0.00 N ATOM 1058 CA VAL A 66 55.498 -14.622 -2.657 1.00 0.00 C ATOM 1059 C VAL A 66 56.488 -15.668 -3.202 1.00 0.00 C ATOM 1060 O VAL A 66 57.629 -15.722 -2.740 1.00 0.00 O ATOM 1061 CB VAL A 66 55.869 -13.245 -3.224 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.440 -13.145 -4.693 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.165 -12.151 -2.426 1.00 0.00 C ATOM 0 H VAL A 66 56.453 -14.802 -0.787 1.00 0.00 H new ATOM 0 HA VAL A 66 54.487 -14.890 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 66 56.949 -13.118 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.708 -12.164 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 66 55.945 -13.918 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.361 -13.283 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.432 -11.175 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.086 -12.289 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.474 -12.206 -1.382 1.00 0.00 H new ATOM 1073 N PRO A 67 56.116 -16.488 -4.177 1.00 0.00 N ATOM 1074 CA PRO A 67 57.058 -17.506 -4.742 1.00 0.00 C ATOM 1075 C PRO A 67 58.379 -16.882 -5.206 1.00 0.00 C ATOM 1076 O PRO A 67 58.414 -15.747 -5.682 1.00 0.00 O ATOM 1077 CB PRO A 67 56.294 -18.117 -5.934 1.00 0.00 C ATOM 1078 CG PRO A 67 54.846 -17.834 -5.678 1.00 0.00 C ATOM 1079 CD PRO A 67 54.785 -16.561 -4.824 1.00 0.00 C ATOM 0 HA PRO A 67 57.340 -18.246 -3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.619 -17.674 -6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.476 -19.189 -6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.308 -17.696 -6.616 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.375 -18.669 -5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.592 -15.680 -5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 67 53.986 -16.616 -4.085 1.00 0.00 H new ATOM 1087 N VAL A 68 59.457 -17.648 -5.065 1.00 0.00 N ATOM 1088 CA VAL A 68 60.787 -17.192 -5.468 1.00 0.00 C ATOM 1089 C VAL A 68 60.808 -16.836 -6.951 1.00 0.00 C ATOM 1090 O VAL A 68 60.418 -17.639 -7.799 1.00 0.00 O ATOM 1091 CB VAL A 68 61.817 -18.300 -5.193 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.372 -19.603 -5.868 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.186 -17.891 -5.751 1.00 0.00 C ATOM 0 H VAL A 68 59.437 -18.590 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 68 61.038 -16.302 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 68 61.891 -18.451 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.106 -20.384 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.403 -19.906 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.291 -19.446 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 68 63.911 -18.681 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.108 -17.732 -6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.514 -16.969 -5.271 1.00 0.00 H new ATOM 1103 N GLY A 69 61.269 -15.622 -7.248 1.00 0.00 N ATOM 1104 CA GLY A 69 61.352 -15.141 -8.632 1.00 0.00 C ATOM 1105 C GLY A 69 60.788 -13.726 -8.766 1.00 0.00 C ATOM 1106 O GLY A 69 59.939 -13.474 -9.620 1.00 0.00 O ATOM 0 H GLY A 69 61.592 -14.951 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.391 -15.153 -8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.802 -15.817 -9.287 1.00 0.00 H new ATOM 1110 N SER A 70 61.257 -12.801 -7.924 1.00 0.00 N ATOM 1111 CA SER A 70 60.774 -11.421 -7.981 1.00 0.00 C ATOM 1112 C SER A 70 61.826 -10.458 -7.443 1.00 0.00 C ATOM 1113 O SER A 70 62.726 -10.855 -6.704 1.00 0.00 O ATOM 1114 CB SER A 70 59.496 -11.278 -7.160 1.00 0.00 C ATOM 1115 OG SER A 70 58.568 -12.278 -7.556 1.00 0.00 O ATOM 0 H SER A 70 61.959 -12.979 -7.206 1.00 0.00 H new ATOM 0 HA SER A 70 60.569 -11.177 -9.023 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.720 -11.374 -6.098 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.065 -10.288 -7.306 1.00 0.00 H new ATOM 0 HG SER A 70 57.747 -12.189 -7.029 1.00 0.00 H new ATOM 1121 N THR A 71 61.694 -9.188 -7.817 1.00 0.00 N ATOM 1122 CA THR A 71 62.629 -8.158 -7.376 1.00 0.00 C ATOM 1123 C THR A 71 62.215 -7.628 -6.002 1.00 0.00 C ATOM 1124 O THR A 71 61.168 -6.998 -5.857 1.00 0.00 O ATOM 1125 CB THR A 71 62.641 -7.021 -8.406 1.00 0.00 C ATOM 1126 OG1 THR A 71 63.300 -7.464 -9.583 1.00 0.00 O ATOM 1127 CG2 THR A 71 63.361 -5.792 -7.846 1.00 0.00 C ATOM 0 H THR A 71 60.948 -8.848 -8.424 1.00 0.00 H new ATOM 0 HA THR A 71 63.630 -8.581 -7.292 1.00 0.00 H new ATOM 0 HB THR A 71 61.613 -6.743 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 71 63.309 -6.741 -10.245 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.358 -4.997 -8.592 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.848 -5.448 -6.948 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.390 -6.054 -7.599 1.00 0.00 H new ATOM 1135 N LEU A 72 63.035 -7.914 -4.994 1.00 0.00 N ATOM 1136 CA LEU A 72 62.725 -7.474 -3.634 1.00 0.00 C ATOM 1137 C LEU A 72 62.785 -5.954 -3.497 1.00 0.00 C ATOM 1138 O LEU A 72 61.937 -5.345 -2.844 1.00 0.00 O ATOM 1139 CB LEU A 72 63.717 -8.069 -2.631 1.00 0.00 C ATOM 1140 CG LEU A 72 63.608 -9.598 -2.564 1.00 0.00 C ATOM 1141 CD1 LEU A 72 64.626 -10.119 -1.540 1.00 0.00 C ATOM 1142 CD2 LEU A 72 62.184 -10.020 -2.157 1.00 0.00 C ATOM 0 H LEU A 72 63.905 -8.439 -5.088 1.00 0.00 H new ATOM 0 HA LEU A 72 61.712 -7.818 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.732 -7.789 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 72 63.533 -7.647 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 72 63.819 -10.022 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.560 -11.205 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.631 -9.833 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 72 64.410 -9.689 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 72 62.125 -11.108 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.948 -9.605 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 72 61.470 -9.646 -2.891 1.00 0.00 H new ATOM 1154 N LEU A 73 63.819 -5.356 -4.078 1.00 0.00 N ATOM 1155 CA LEU A 73 64.016 -3.912 -3.972 1.00 0.00 C ATOM 1156 C LEU A 73 64.933 -3.420 -5.096 1.00 0.00 C ATOM 1157 O LEU A 73 65.833 -4.140 -5.526 1.00 0.00 O ATOM 1158 CB LEU A 73 64.673 -3.626 -2.593 1.00 0.00 C ATOM 1159 CG LEU A 73 64.081 -2.392 -1.893 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.514 -2.417 -0.421 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.601 -1.106 -2.546 1.00 0.00 C ATOM 0 H LEU A 73 64.530 -5.843 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 73 63.062 -3.392 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.549 -4.497 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.745 -3.481 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 73 62.994 -2.413 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.104 -1.548 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.144 -3.327 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.602 -2.393 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.173 -0.241 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.688 -1.071 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.313 -1.090 -3.597 1.00 0.00 H new ATOM 1173 N GLN A 74 64.735 -2.174 -5.528 1.00 0.00 N ATOM 1174 CA GLN A 74 65.592 -1.579 -6.558 1.00 0.00 C ATOM 1175 C GLN A 74 66.545 -0.621 -5.848 1.00 0.00 C ATOM 1176 O GLN A 74 66.106 0.322 -5.190 1.00 0.00 O ATOM 1177 CB GLN A 74 64.737 -0.826 -7.602 1.00 0.00 C ATOM 1178 CG GLN A 74 64.428 -1.734 -8.805 1.00 0.00 C ATOM 1179 CD GLN A 74 65.670 -1.890 -9.676 1.00 0.00 C ATOM 1180 OE1 GLN A 74 66.596 -1.084 -9.595 1.00 0.00 O ATOM 1181 NE2 GLN A 74 65.741 -2.884 -10.520 1.00 0.00 N ATOM 0 H GLN A 74 63.996 -1.560 -5.185 1.00 0.00 H new ATOM 0 HA GLN A 74 66.149 -2.349 -7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.806 -0.490 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 74 65.266 0.065 -7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 74 64.093 -2.711 -8.457 1.00 0.00 H new ATOM 0 HG3 GLN A 74 63.614 -1.309 -9.392 1.00 0.00 H new ATOM 0 HE21 GLN A 74 64.973 -3.552 -10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 74 66.564 -2.992 -11.112 1.00 0.00 H new ATOM 1190 N ILE A 75 67.851 -0.892 -5.943 1.00 0.00 N ATOM 1191 CA ILE A 75 68.855 -0.072 -5.257 1.00 0.00 C ATOM 1192 C ILE A 75 69.803 0.592 -6.243 1.00 0.00 C ATOM 1193 O ILE A 75 70.384 -0.057 -7.113 1.00 0.00 O ATOM 1194 CB ILE A 75 69.633 -0.966 -4.284 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.695 -1.452 -3.164 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.797 -0.204 -3.654 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.338 -2.637 -2.438 1.00 0.00 C ATOM 0 H ILE A 75 68.235 -1.667 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 75 68.350 0.726 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 75 70.026 -1.815 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.501 -0.642 -2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.733 -1.747 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.333 -0.860 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.476 0.135 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.414 0.658 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.674 -2.981 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.509 -3.448 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.289 -2.326 -2.006 1.00 0.00 H new ATOM 1209 N ASP A 76 69.949 1.904 -6.086 1.00 0.00 N ATOM 1210 CA ASP A 76 70.831 2.694 -6.949 1.00 0.00 C ATOM 1211 C ASP A 76 72.201 2.859 -6.298 1.00 0.00 C ATOM 1212 O ASP A 76 72.321 3.479 -5.240 1.00 0.00 O ATOM 1213 CB ASP A 76 70.227 4.079 -7.195 1.00 0.00 C ATOM 1214 CG ASP A 76 68.990 3.973 -8.079 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.806 2.932 -8.688 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.244 4.936 -8.135 1.00 0.00 O ATOM 0 H ASP A 76 69.468 2.447 -5.369 1.00 0.00 H new ATOM 0 HA ASP A 76 70.940 2.168 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.963 4.541 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.966 4.725 -7.669 1.00 0.00 H new ATOM 1221 N THR A 77 73.224 2.296 -6.930 1.00 0.00 N ATOM 1222 CA THR A 77 74.580 2.383 -6.398 1.00 0.00 C ATOM 1223 C THR A 77 75.007 3.838 -6.241 1.00 0.00 C ATOM 1224 O THR A 77 74.453 4.677 -6.933 1.00 0.00 O ATOM 1225 CB THR A 77 75.555 1.672 -7.340 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.881 1.854 -6.863 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.427 2.268 -8.743 1.00 0.00 C ATOM 1228 OXT THR A 77 75.888 4.093 -5.436 1.00 0.00 O ATOM 0 H THR A 77 73.143 1.778 -7.805 1.00 0.00 H new ATOM 0 HA THR A 77 74.594 1.903 -5.420 1.00 0.00 H new ATOM 0 HB THR A 77 75.324 0.607 -7.377 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.509 1.399 -7.462 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.120 1.764 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.407 2.133 -9.104 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.662 3.332 -8.709 1.00 0.00 H new TER 1236 THR A 77