USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot -82:sc= 1.55 USER MOD Set 1.2: A 24 LYS NZ :NH3+ 157:sc= -0.261 (180deg=-1.39) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.122 (180deg=-0.81) USER MOD Single : A 2 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.73) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.277 K(o=-0.28,f=-3.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 137:sc= 0.0425 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.672 K(o=-0.67,f=0.13) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 31 ASN : amide:sc= -1.44 K(o=-1.4,f=-7.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0.994 (180deg=0.978) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.195 USER MOD Single : A 43 SER OG : rot -79:sc= -1.35 USER MOD Single : A 47 THR OG1 : rot 125:sc= 0.0617 USER MOD Single : A 54 SER OG : rot 13:sc= 0.398 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.096 16.597 -6.014 1.00 0.00 N ATOM 2 CA MET A 1 -12.499 15.535 -5.048 1.00 0.00 C ATOM 3 C MET A 1 -11.252 14.938 -4.366 1.00 0.00 C ATOM 4 O MET A 1 -11.205 13.761 -4.063 1.00 0.00 O ATOM 5 CB MET A 1 -13.293 14.429 -5.805 1.00 0.00 C ATOM 6 CG MET A 1 -12.457 13.822 -6.955 1.00 0.00 C ATOM 7 SD MET A 1 -13.222 12.481 -7.902 1.00 0.00 S ATOM 8 CE MET A 1 -12.725 11.104 -6.836 1.00 0.00 C ATOM 0 H1 MET A 1 -12.883 16.790 -6.666 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.856 17.465 -5.495 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.268 16.277 -6.556 1.00 0.00 H new ATOM 0 HA MET A 1 -13.136 15.965 -4.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.580 13.642 -5.107 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.215 14.851 -6.206 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.200 14.623 -7.648 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.522 13.451 -6.536 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.103 10.169 -7.249 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.637 11.062 -6.779 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.135 11.251 -5.837 1.00 0.00 H new ATOM 20 N LYS A 2 -10.281 15.794 -4.150 1.00 0.00 N ATOM 21 CA LYS A 2 -8.983 15.411 -3.498 1.00 0.00 C ATOM 22 C LYS A 2 -8.223 14.330 -4.285 1.00 0.00 C ATOM 23 O LYS A 2 -8.728 13.768 -5.238 1.00 0.00 O ATOM 24 CB LYS A 2 -9.239 14.891 -2.039 1.00 0.00 C ATOM 25 CG LYS A 2 -9.734 16.022 -1.083 1.00 0.00 C ATOM 26 CD LYS A 2 -11.174 16.524 -1.382 1.00 0.00 C ATOM 27 CE LYS A 2 -12.208 15.398 -1.167 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.572 15.899 -1.495 1.00 0.00 N ATOM 0 H LYS A 2 -10.336 16.779 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.368 16.310 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.979 14.092 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.319 14.461 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.694 15.658 -0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.046 16.865 -1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.410 17.368 -0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.231 16.884 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.964 14.542 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.175 15.054 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.161 15.109 -1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.002 16.317 -0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.507 16.621 -2.241 1.00 0.00 H new ATOM 42 N ALA A 3 -7.014 14.080 -3.843 1.00 0.00 N ATOM 43 CA ALA A 3 -6.128 13.071 -4.473 1.00 0.00 C ATOM 44 C ALA A 3 -4.855 12.892 -3.638 1.00 0.00 C ATOM 45 O ALA A 3 -4.266 13.855 -3.184 1.00 0.00 O ATOM 46 CB ALA A 3 -5.740 13.519 -5.898 1.00 0.00 C ATOM 0 H ALA A 3 -6.598 14.555 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.665 12.124 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.090 12.770 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.640 13.630 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.216 14.473 -5.849 1.00 0.00 H new ATOM 52 N CYS A 4 -4.476 11.651 -3.467 1.00 0.00 N ATOM 53 CA CYS A 4 -3.258 11.302 -2.679 1.00 0.00 C ATOM 54 C CYS A 4 -1.962 11.668 -3.414 1.00 0.00 C ATOM 55 O CYS A 4 -1.977 12.055 -4.567 1.00 0.00 O ATOM 56 CB CYS A 4 -3.278 9.808 -2.408 1.00 0.00 C ATOM 57 SG CYS A 4 -4.553 9.140 -1.315 1.00 0.00 S ATOM 0 H CYS A 4 -4.973 10.847 -3.851 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.275 11.874 -1.752 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -3.366 9.299 -3.368 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -2.309 9.535 -1.991 1.00 0.00 H new ATOM 62 N THR A 5 -0.876 11.525 -2.696 1.00 0.00 N ATOM 63 CA THR A 5 0.466 11.825 -3.239 1.00 0.00 C ATOM 64 C THR A 5 0.777 10.743 -4.274 1.00 0.00 C ATOM 65 O THR A 5 0.858 9.570 -3.963 1.00 0.00 O ATOM 66 CB THR A 5 1.470 11.786 -2.086 1.00 0.00 C ATOM 67 OG1 THR A 5 0.935 12.648 -1.091 1.00 0.00 O ATOM 68 CG2 THR A 5 2.760 12.464 -2.489 1.00 0.00 C ATOM 0 H THR A 5 -0.874 11.203 -1.728 1.00 0.00 H new ATOM 0 HA THR A 5 0.516 12.809 -3.706 1.00 0.00 H new ATOM 0 HB THR A 5 1.642 10.754 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.536 12.666 -0.317 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.465 12.428 -1.658 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.188 11.950 -3.350 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.559 13.503 -2.750 1.00 0.00 H new ATOM 76 N LEU A 6 0.935 11.208 -5.481 1.00 0.00 N ATOM 77 CA LEU A 6 1.244 10.317 -6.641 1.00 0.00 C ATOM 78 C LEU A 6 2.522 9.497 -6.403 1.00 0.00 C ATOM 79 O LEU A 6 2.739 8.493 -7.055 1.00 0.00 O ATOM 80 CB LEU A 6 1.403 11.199 -7.896 1.00 0.00 C ATOM 81 CG LEU A 6 0.151 12.110 -8.100 1.00 0.00 C ATOM 82 CD1 LEU A 6 0.392 13.024 -9.319 1.00 0.00 C ATOM 83 CD2 LEU A 6 -1.117 11.261 -8.358 1.00 0.00 C ATOM 0 H LEU A 6 0.861 12.197 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 6 0.428 9.606 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.296 11.817 -7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.545 10.568 -8.773 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.001 12.700 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.477 13.665 -9.471 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.272 13.642 -9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.551 12.412 -10.207 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.974 11.920 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.975 10.657 -9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.297 10.607 -7.505 1.00 0.00 H new ATOM 95 N ASN A 7 3.328 9.952 -5.474 1.00 0.00 N ATOM 96 CA ASN A 7 4.594 9.270 -5.133 1.00 0.00 C ATOM 97 C ASN A 7 4.371 7.853 -4.599 1.00 0.00 C ATOM 98 O ASN A 7 3.299 7.498 -4.149 1.00 0.00 O ATOM 99 CB ASN A 7 5.345 10.106 -4.080 1.00 0.00 C ATOM 100 CG ASN A 7 5.724 11.472 -4.673 1.00 0.00 C ATOM 101 OD1 ASN A 7 4.883 12.264 -5.049 1.00 0.00 O ATOM 102 ND2 ASN A 7 6.987 11.786 -4.775 1.00 0.00 N ATOM 0 H ASN A 7 3.146 10.794 -4.928 1.00 0.00 H new ATOM 0 HA ASN A 7 5.181 9.180 -6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.720 10.243 -3.198 1.00 0.00 H new ATOM 0 HB3 ASN A 7 6.242 9.579 -3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.258 12.688 -5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 7 7.703 11.130 -4.463 1.00 0.00 H new ATOM 109 N CYS A 8 5.432 7.101 -4.682 1.00 0.00 N ATOM 110 CA CYS A 8 5.445 5.681 -4.222 1.00 0.00 C ATOM 111 C CYS A 8 5.968 5.554 -2.789 1.00 0.00 C ATOM 112 O CYS A 8 6.990 6.124 -2.455 1.00 0.00 O ATOM 113 CB CYS A 8 6.330 4.872 -5.178 1.00 0.00 C ATOM 114 SG CYS A 8 6.709 5.602 -6.790 1.00 0.00 S ATOM 0 H CYS A 8 6.322 7.422 -5.063 1.00 0.00 H new ATOM 0 HA CYS A 8 4.424 5.299 -4.227 1.00 0.00 H new ATOM 0 HB2 CYS A 8 7.273 4.669 -4.671 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.847 3.910 -5.350 1.00 0.00 H new ATOM 119 N ASP A 9 5.248 4.809 -1.987 1.00 0.00 N ATOM 120 CA ASP A 9 5.663 4.606 -0.565 1.00 0.00 C ATOM 121 C ASP A 9 6.829 3.600 -0.623 1.00 0.00 C ATOM 122 O ASP A 9 6.579 2.486 -1.042 1.00 0.00 O ATOM 123 CB ASP A 9 4.454 4.041 0.224 1.00 0.00 C ATOM 124 CG ASP A 9 4.750 3.822 1.726 1.00 0.00 C ATOM 125 OD1 ASP A 9 5.677 4.425 2.239 1.00 0.00 O ATOM 126 OD2 ASP A 9 4.004 3.043 2.293 1.00 0.00 O ATOM 0 H ASP A 9 4.388 4.331 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 9 5.976 5.523 -0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.612 4.725 0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.150 3.094 -0.221 1.00 0.00 H new ATOM 131 N PRO A 10 8.029 4.002 -0.226 1.00 0.00 N ATOM 132 CA PRO A 10 9.296 3.225 -0.447 1.00 0.00 C ATOM 133 C PRO A 10 9.452 2.034 0.522 1.00 0.00 C ATOM 134 O PRO A 10 10.432 1.875 1.225 1.00 0.00 O ATOM 135 CB PRO A 10 10.414 4.262 -0.303 1.00 0.00 C ATOM 136 CG PRO A 10 9.844 5.381 0.573 1.00 0.00 C ATOM 137 CD PRO A 10 8.312 5.287 0.497 1.00 0.00 C ATOM 0 HA PRO A 10 9.310 2.749 -1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.299 3.820 0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.718 4.646 -1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.185 5.274 1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.187 6.355 0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.868 5.284 1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.892 6.139 -0.037 1.00 0.00 H new ATOM 145 N ARG A 11 8.427 1.235 0.497 1.00 0.00 N ATOM 146 CA ARG A 11 8.282 0.006 1.310 1.00 0.00 C ATOM 147 C ARG A 11 7.125 -0.819 0.698 1.00 0.00 C ATOM 148 O ARG A 11 7.171 -2.034 0.736 1.00 0.00 O ATOM 149 CB ARG A 11 7.984 0.409 2.758 1.00 0.00 C ATOM 150 CG ARG A 11 6.898 1.516 2.812 1.00 0.00 C ATOM 151 CD ARG A 11 6.187 1.422 4.148 1.00 0.00 C ATOM 152 NE ARG A 11 5.594 0.054 4.165 1.00 0.00 N ATOM 153 CZ ARG A 11 5.198 -0.519 5.273 1.00 0.00 C ATOM 154 NH1 ARG A 11 5.291 0.102 6.418 1.00 0.00 N ATOM 155 NH2 ARG A 11 4.720 -1.727 5.191 1.00 0.00 N ATOM 0 H ARG A 11 7.622 1.405 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 11 9.190 -0.596 1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.649 -0.462 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.897 0.766 3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.352 2.500 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.188 1.391 1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.881 1.563 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.418 2.188 4.242 1.00 0.00 H new ATOM 0 HE ARG A 11 5.494 -0.451 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.676 1.046 6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.978 -0.357 7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.665 -2.193 4.285 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.401 -2.207 6.032 1.00 0.00 H new ATOM 169 N ILE A 12 6.126 -0.152 0.153 1.00 0.00 N ATOM 170 CA ILE A 12 4.972 -0.878 -0.468 1.00 0.00 C ATOM 171 C ILE A 12 5.372 -1.265 -1.896 1.00 0.00 C ATOM 172 O ILE A 12 6.083 -0.531 -2.556 1.00 0.00 O ATOM 173 CB ILE A 12 3.726 0.036 -0.493 1.00 0.00 C ATOM 174 CG1 ILE A 12 3.277 0.185 0.981 1.00 0.00 C ATOM 175 CG2 ILE A 12 2.589 -0.616 -1.348 1.00 0.00 C ATOM 176 CD1 ILE A 12 2.019 1.032 1.083 1.00 0.00 C ATOM 0 H ILE A 12 6.064 0.865 0.114 1.00 0.00 H new ATOM 0 HA ILE A 12 4.728 -1.770 0.110 1.00 0.00 H new ATOM 0 HB ILE A 12 3.949 1.004 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.093 -0.800 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.076 0.642 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.718 0.040 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.941 -0.764 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.315 -1.578 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.724 1.121 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.214 2.024 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.215 0.559 0.519 1.00 0.00 H new ATOM 188 N ALA A 13 4.895 -2.406 -2.323 1.00 0.00 N ATOM 189 CA ALA A 13 5.207 -2.904 -3.698 1.00 0.00 C ATOM 190 C ALA A 13 4.027 -2.655 -4.629 1.00 0.00 C ATOM 191 O ALA A 13 4.152 -1.956 -5.617 1.00 0.00 O ATOM 192 CB ALA A 13 5.510 -4.392 -3.612 1.00 0.00 C ATOM 0 H ALA A 13 4.296 -3.021 -1.772 1.00 0.00 H new ATOM 0 HA ALA A 13 6.070 -2.373 -4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.740 -4.774 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.365 -4.552 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.642 -4.918 -3.213 1.00 0.00 H new ATOM 198 N TYR A 14 2.911 -3.240 -4.282 1.00 0.00 N ATOM 199 CA TYR A 14 1.680 -3.071 -5.121 1.00 0.00 C ATOM 200 C TYR A 14 0.481 -3.542 -4.319 1.00 0.00 C ATOM 201 O TYR A 14 0.613 -3.810 -3.143 1.00 0.00 O ATOM 202 CB TYR A 14 1.793 -3.911 -6.424 1.00 0.00 C ATOM 203 CG TYR A 14 1.919 -5.425 -6.156 1.00 0.00 C ATOM 204 CD1 TYR A 14 3.076 -5.959 -5.627 1.00 0.00 C ATOM 205 CD2 TYR A 14 0.871 -6.278 -6.445 1.00 0.00 C ATOM 206 CE1 TYR A 14 3.189 -7.312 -5.393 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.984 -7.633 -6.210 1.00 0.00 C ATOM 208 CZ TYR A 14 2.143 -8.158 -5.684 1.00 0.00 C ATOM 209 OH TYR A 14 2.252 -9.513 -5.450 1.00 0.00 O ATOM 0 H TYR A 14 2.795 -3.827 -3.456 1.00 0.00 H new ATOM 0 HA TYR A 14 1.567 -2.022 -5.393 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.915 -3.729 -7.044 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.660 -3.575 -6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.905 -5.307 -5.393 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.044 -5.881 -6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.103 -7.711 -4.979 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.156 -8.287 -6.441 1.00 0.00 H new ATOM 0 HH TYR A 14 1.419 -9.958 -5.713 1.00 0.00 H new ATOM 219 N GLY A 15 -0.650 -3.625 -4.972 1.00 0.00 N ATOM 220 CA GLY A 15 -1.874 -4.083 -4.264 1.00 0.00 C ATOM 221 C GLY A 15 -2.888 -4.674 -5.220 1.00 0.00 C ATOM 222 O GLY A 15 -2.912 -4.331 -6.384 1.00 0.00 O ATOM 0 H GLY A 15 -0.775 -3.396 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.604 -4.827 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.322 -3.244 -3.732 1.00 0.00 H new ATOM 226 N VAL A 16 -3.701 -5.542 -4.677 1.00 0.00 N ATOM 227 CA VAL A 16 -4.759 -6.217 -5.491 1.00 0.00 C ATOM 228 C VAL A 16 -6.142 -5.678 -5.129 1.00 0.00 C ATOM 229 O VAL A 16 -6.601 -5.842 -4.015 1.00 0.00 O ATOM 230 CB VAL A 16 -4.669 -7.751 -5.238 1.00 0.00 C ATOM 231 CG1 VAL A 16 -5.943 -8.470 -5.752 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.452 -8.304 -6.022 1.00 0.00 C ATOM 0 H VAL A 16 -3.678 -5.816 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.602 -6.014 -6.550 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.568 -7.927 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.857 -9.540 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.817 -8.079 -5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.052 -8.297 -6.823 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.371 -9.379 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.585 -8.108 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.542 -7.814 -5.674 1.00 0.00 H new ATOM 242 N CYS A 17 -6.749 -5.052 -6.107 1.00 0.00 N ATOM 243 CA CYS A 17 -8.110 -4.463 -5.935 1.00 0.00 C ATOM 244 C CYS A 17 -9.133 -5.341 -6.685 1.00 0.00 C ATOM 245 O CYS A 17 -8.777 -5.989 -7.653 1.00 0.00 O ATOM 246 CB CYS A 17 -8.101 -3.038 -6.502 1.00 0.00 C ATOM 247 SG CYS A 17 -6.920 -1.851 -5.813 1.00 0.00 S ATOM 0 H CYS A 17 -6.348 -4.923 -7.036 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.386 -4.426 -4.881 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.916 -3.107 -7.574 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.101 -2.623 -6.377 1.00 0.00 H new ATOM 252 N PRO A 18 -10.369 -5.351 -6.234 1.00 0.00 N ATOM 253 CA PRO A 18 -11.432 -6.204 -6.842 1.00 0.00 C ATOM 254 C PRO A 18 -11.755 -5.789 -8.288 1.00 0.00 C ATOM 255 O PRO A 18 -11.977 -4.625 -8.566 1.00 0.00 O ATOM 256 CB PRO A 18 -12.649 -6.070 -5.923 1.00 0.00 C ATOM 257 CG PRO A 18 -12.361 -4.910 -4.954 1.00 0.00 C ATOM 258 CD PRO A 18 -10.874 -4.541 -5.082 1.00 0.00 C ATOM 0 HA PRO A 18 -11.105 -7.241 -6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.550 -5.872 -6.504 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.821 -6.996 -5.374 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.988 -4.051 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.594 -5.202 -3.930 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.747 -3.474 -5.265 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.330 -4.775 -4.167 1.00 0.00 H new ATOM 266 N ARG A 19 -11.762 -6.774 -9.152 1.00 0.00 N ATOM 267 CA ARG A 19 -12.058 -6.577 -10.610 1.00 0.00 C ATOM 268 C ARG A 19 -11.272 -5.433 -11.285 1.00 0.00 C ATOM 269 O ARG A 19 -11.763 -4.783 -12.188 1.00 0.00 O ATOM 270 CB ARG A 19 -13.605 -6.345 -10.743 1.00 0.00 C ATOM 271 CG ARG A 19 -14.350 -7.672 -11.035 1.00 0.00 C ATOM 272 CD ARG A 19 -13.991 -8.218 -12.442 1.00 0.00 C ATOM 273 NE ARG A 19 -14.279 -7.165 -13.469 1.00 0.00 N ATOM 274 CZ ARG A 19 -15.498 -6.896 -13.870 1.00 0.00 C ATOM 275 NH1 ARG A 19 -16.521 -7.548 -13.384 1.00 0.00 N ATOM 276 NH2 ARG A 19 -15.653 -5.961 -14.765 1.00 0.00 N ATOM 0 H ARG A 19 -11.568 -7.743 -8.898 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.729 -7.471 -11.140 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.989 -5.905 -9.823 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.800 -5.632 -11.544 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.091 -8.412 -10.278 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.426 -7.511 -10.968 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.939 -8.500 -12.478 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -14.569 -9.117 -12.654 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.501 -6.640 -13.869 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.376 -8.276 -12.684 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.464 -7.329 -13.704 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.840 -5.465 -15.130 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.587 -5.725 -15.100 1.00 0.00 H new ATOM 290 N SER A 20 -10.064 -5.228 -10.826 1.00 0.00 N ATOM 291 CA SER A 20 -9.201 -4.145 -11.402 1.00 0.00 C ATOM 292 C SER A 20 -8.159 -4.756 -12.355 1.00 0.00 C ATOM 293 O SER A 20 -6.965 -4.566 -12.217 1.00 0.00 O ATOM 294 CB SER A 20 -8.530 -3.394 -10.230 1.00 0.00 C ATOM 295 OG SER A 20 -7.750 -4.371 -9.559 1.00 0.00 O ATOM 0 H SER A 20 -9.634 -5.765 -10.073 1.00 0.00 H new ATOM 0 HA SER A 20 -9.797 -3.441 -11.983 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.909 -2.575 -10.592 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.275 -2.959 -9.563 1.00 0.00 H new ATOM 0 HG SER A 20 -8.323 -4.889 -8.955 1.00 0.00 H new ATOM 301 N GLU A 21 -8.693 -5.485 -13.306 1.00 0.00 N ATOM 302 CA GLU A 21 -7.896 -6.192 -14.367 1.00 0.00 C ATOM 303 C GLU A 21 -6.966 -7.306 -13.855 1.00 0.00 C ATOM 304 O GLU A 21 -6.497 -8.098 -14.653 1.00 0.00 O ATOM 305 CB GLU A 21 -7.009 -5.190 -15.145 1.00 0.00 C ATOM 306 CG GLU A 21 -7.836 -4.052 -15.768 1.00 0.00 C ATOM 307 CD GLU A 21 -6.868 -3.119 -16.522 1.00 0.00 C ATOM 308 OE1 GLU A 21 -6.321 -2.250 -15.860 1.00 0.00 O ATOM 309 OE2 GLU A 21 -6.724 -3.325 -17.716 1.00 0.00 O ATOM 0 H GLU A 21 -9.699 -5.626 -13.395 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.656 -6.654 -14.996 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.262 -4.769 -14.472 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.469 -5.718 -15.931 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.586 -4.454 -16.449 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.371 -3.502 -14.994 1.00 0.00 H new ATOM 316 N GLU A 22 -6.718 -7.353 -12.567 1.00 0.00 N ATOM 317 CA GLU A 22 -5.816 -8.401 -11.983 1.00 0.00 C ATOM 318 C GLU A 22 -4.453 -8.365 -12.693 1.00 0.00 C ATOM 319 O GLU A 22 -3.871 -9.371 -13.053 1.00 0.00 O ATOM 320 CB GLU A 22 -6.530 -9.787 -12.138 1.00 0.00 C ATOM 321 CG GLU A 22 -6.378 -10.622 -10.844 1.00 0.00 C ATOM 322 CD GLU A 22 -6.804 -9.815 -9.598 1.00 0.00 C ATOM 323 OE1 GLU A 22 -7.941 -9.369 -9.573 1.00 0.00 O ATOM 324 OE2 GLU A 22 -5.950 -9.692 -8.736 1.00 0.00 O ATOM 0 H GLU A 22 -7.107 -6.701 -11.886 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.627 -8.219 -10.925 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.587 -9.636 -12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.103 -10.330 -12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.984 -11.525 -10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.342 -10.942 -10.735 1.00 0.00 H new ATOM 331 N LYS A 23 -4.010 -7.145 -12.852 1.00 0.00 N ATOM 332 CA LYS A 23 -2.718 -6.815 -13.509 1.00 0.00 C ATOM 333 C LYS A 23 -1.662 -6.445 -12.453 1.00 0.00 C ATOM 334 O LYS A 23 -0.491 -6.341 -12.763 1.00 0.00 O ATOM 335 CB LYS A 23 -2.975 -5.635 -14.470 1.00 0.00 C ATOM 336 CG LYS A 23 -3.293 -6.171 -15.884 1.00 0.00 C ATOM 337 CD LYS A 23 -3.845 -5.036 -16.781 1.00 0.00 C ATOM 338 CE LYS A 23 -2.813 -3.922 -17.011 1.00 0.00 C ATOM 339 NZ LYS A 23 -3.431 -2.851 -17.840 1.00 0.00 N ATOM 0 H LYS A 23 -4.524 -6.324 -12.534 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.336 -7.672 -14.063 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.806 -5.031 -14.105 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.100 -4.986 -14.505 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.392 -6.591 -16.331 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.022 -6.978 -15.818 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.149 -5.451 -17.742 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.737 -4.612 -16.320 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.480 -3.514 -16.056 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.931 -4.323 -17.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.172 -1.921 -17.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.088 -2.928 -18.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.466 -2.955 -17.827 1.00 0.00 H new ATOM 353 N LYS A 24 -2.121 -6.261 -11.240 1.00 0.00 N ATOM 354 CA LYS A 24 -1.221 -5.895 -10.100 1.00 0.00 C ATOM 355 C LYS A 24 -0.498 -7.167 -9.631 1.00 0.00 C ATOM 356 O LYS A 24 -0.855 -7.764 -8.633 1.00 0.00 O ATOM 357 CB LYS A 24 -2.083 -5.298 -8.954 1.00 0.00 C ATOM 358 CG LYS A 24 -3.119 -4.262 -9.507 1.00 0.00 C ATOM 359 CD LYS A 24 -4.566 -4.643 -9.081 1.00 0.00 C ATOM 360 CE LYS A 24 -4.964 -6.031 -9.641 1.00 0.00 C ATOM 361 NZ LYS A 24 -6.259 -6.483 -9.059 1.00 0.00 N ATOM 0 H LYS A 24 -3.105 -6.351 -10.986 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.482 -5.153 -10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.608 -6.100 -8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.436 -4.814 -8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.877 -3.266 -9.136 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.054 -4.222 -10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.638 -4.652 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.265 -3.888 -9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.046 -5.981 -10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.184 -6.758 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.700 -7.180 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.089 -6.919 -8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.893 -5.666 -8.947 1.00 0.00 H new ATOM 375 N ASN A 25 0.504 -7.550 -10.384 1.00 0.00 N ATOM 376 CA ASN A 25 1.300 -8.760 -10.068 1.00 0.00 C ATOM 377 C ASN A 25 2.788 -8.556 -10.414 1.00 0.00 C ATOM 378 O ASN A 25 3.490 -9.515 -10.680 1.00 0.00 O ATOM 379 CB ASN A 25 0.720 -9.947 -10.875 1.00 0.00 C ATOM 380 CG ASN A 25 -0.772 -9.765 -11.211 1.00 0.00 C ATOM 381 OD1 ASN A 25 -1.133 -9.434 -12.323 1.00 0.00 O ATOM 382 ND2 ASN A 25 -1.668 -9.970 -10.284 1.00 0.00 N ATOM 0 H ASN A 25 0.805 -7.056 -11.224 1.00 0.00 H new ATOM 0 HA ASN A 25 1.240 -8.963 -8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.285 -10.063 -11.800 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.850 -10.867 -10.305 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.658 -9.852 -10.497 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.378 -10.248 -9.347 1.00 0.00 H new ATOM 389 N ASP A 26 3.239 -7.323 -10.401 1.00 0.00 N ATOM 390 CA ASP A 26 4.677 -7.053 -10.730 1.00 0.00 C ATOM 391 C ASP A 26 5.219 -5.774 -10.069 1.00 0.00 C ATOM 392 O ASP A 26 5.900 -4.982 -10.692 1.00 0.00 O ATOM 393 CB ASP A 26 4.789 -6.981 -12.286 1.00 0.00 C ATOM 394 CG ASP A 26 5.866 -7.973 -12.748 1.00 0.00 C ATOM 395 OD1 ASP A 26 7.006 -7.541 -12.818 1.00 0.00 O ATOM 396 OD2 ASP A 26 5.490 -9.106 -13.002 1.00 0.00 O ATOM 0 H ASP A 26 2.680 -6.499 -10.179 1.00 0.00 H new ATOM 0 HA ASP A 26 5.294 -7.857 -10.329 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.831 -7.223 -12.745 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.047 -5.970 -12.600 1.00 0.00 H new ATOM 401 N ARG A 27 4.887 -5.644 -8.808 1.00 0.00 N ATOM 402 CA ARG A 27 5.293 -4.488 -7.939 1.00 0.00 C ATOM 403 C ARG A 27 5.474 -3.140 -8.674 1.00 0.00 C ATOM 404 O ARG A 27 6.506 -2.865 -9.254 1.00 0.00 O ATOM 405 CB ARG A 27 6.597 -4.937 -7.213 1.00 0.00 C ATOM 406 CG ARG A 27 7.352 -3.764 -6.509 1.00 0.00 C ATOM 407 CD ARG A 27 8.713 -3.471 -7.174 1.00 0.00 C ATOM 408 NE ARG A 27 9.574 -4.696 -7.078 1.00 0.00 N ATOM 409 CZ ARG A 27 9.817 -5.474 -8.104 1.00 0.00 C ATOM 410 NH1 ARG A 27 9.315 -5.223 -9.286 1.00 0.00 N ATOM 411 NH2 ARG A 27 10.581 -6.512 -7.907 1.00 0.00 N ATOM 0 H ARG A 27 4.317 -6.333 -8.317 1.00 0.00 H new ATOM 0 HA ARG A 27 4.484 -4.268 -7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.348 -5.696 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.264 -5.406 -7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.734 -2.867 -6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.507 -4.011 -5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.570 -3.191 -8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.199 -2.629 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 27 9.988 -4.933 -6.176 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.720 -4.406 -9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.519 -5.844 -10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.965 -6.694 -6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.794 -7.142 -8.680 1.00 0.00 H new ATOM 425 N ILE A 28 4.441 -2.338 -8.622 1.00 0.00 N ATOM 426 CA ILE A 28 4.433 -1.009 -9.262 1.00 0.00 C ATOM 427 C ILE A 28 5.096 -0.047 -8.253 1.00 0.00 C ATOM 428 O ILE A 28 5.672 -0.462 -7.265 1.00 0.00 O ATOM 429 CB ILE A 28 2.935 -0.670 -9.569 1.00 0.00 C ATOM 430 CG1 ILE A 28 2.212 -1.770 -10.435 1.00 0.00 C ATOM 431 CG2 ILE A 28 2.710 0.658 -10.290 1.00 0.00 C ATOM 432 CD1 ILE A 28 1.747 -2.994 -9.630 1.00 0.00 C ATOM 0 H ILE A 28 3.573 -2.570 -8.140 1.00 0.00 H new ATOM 0 HA ILE A 28 4.982 -0.944 -10.201 1.00 0.00 H new ATOM 0 HB ILE A 28 2.510 -0.615 -8.567 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.348 -1.322 -10.926 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.889 -2.102 -11.222 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.643 0.804 -10.458 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.096 1.474 -9.679 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.230 0.645 -11.248 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.259 -3.705 -10.297 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.608 -3.469 -9.161 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.043 -2.677 -8.860 1.00 0.00 H new ATOM 444 N CYS A 29 4.993 1.215 -8.546 1.00 0.00 N ATOM 445 CA CYS A 29 5.567 2.292 -7.688 1.00 0.00 C ATOM 446 C CYS A 29 4.318 3.066 -7.233 1.00 0.00 C ATOM 447 O CYS A 29 3.782 3.874 -7.968 1.00 0.00 O ATOM 448 CB CYS A 29 6.516 3.144 -8.561 1.00 0.00 C ATOM 449 SG CYS A 29 7.762 4.154 -7.723 1.00 0.00 S ATOM 0 H CYS A 29 4.515 1.561 -9.378 1.00 0.00 H new ATOM 0 HA CYS A 29 6.156 1.956 -6.835 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.035 2.472 -9.244 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.903 3.808 -9.171 1.00 0.00 H new ATOM 454 N THR A 30 3.890 2.788 -6.025 1.00 0.00 N ATOM 455 CA THR A 30 2.678 3.461 -5.459 1.00 0.00 C ATOM 456 C THR A 30 2.686 3.440 -3.917 1.00 0.00 C ATOM 457 O THR A 30 3.541 2.836 -3.298 1.00 0.00 O ATOM 458 CB THR A 30 1.439 2.718 -6.057 1.00 0.00 C ATOM 459 OG1 THR A 30 0.282 3.296 -5.468 1.00 0.00 O ATOM 460 CG2 THR A 30 1.404 1.228 -5.651 1.00 0.00 C ATOM 0 H THR A 30 4.334 2.115 -5.400 1.00 0.00 H new ATOM 0 HA THR A 30 2.653 4.517 -5.728 1.00 0.00 H new ATOM 0 HB THR A 30 1.484 2.803 -7.143 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.519 2.856 -5.821 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.527 0.752 -6.089 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.305 0.731 -6.012 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.356 1.148 -4.565 1.00 0.00 H new ATOM 468 N ASN A 31 1.712 4.117 -3.362 1.00 0.00 N ATOM 469 CA ASN A 31 1.541 4.221 -1.879 1.00 0.00 C ATOM 470 C ASN A 31 0.131 3.769 -1.466 1.00 0.00 C ATOM 471 O ASN A 31 -0.771 3.727 -2.282 1.00 0.00 O ATOM 472 CB ASN A 31 1.782 5.692 -1.450 1.00 0.00 C ATOM 473 CG ASN A 31 0.894 6.667 -2.217 1.00 0.00 C ATOM 474 OD1 ASN A 31 0.795 6.636 -3.427 1.00 0.00 O ATOM 475 ND2 ASN A 31 0.231 7.556 -1.544 1.00 0.00 N ATOM 0 H ASN A 31 1.003 4.620 -3.896 1.00 0.00 H new ATOM 0 HA ASN A 31 2.261 3.570 -1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.592 5.793 -0.381 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.828 5.950 -1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.368 8.222 -2.031 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.309 7.589 -0.527 1.00 0.00 H new ATOM 482 N CYS A 32 -0.006 3.447 -0.201 1.00 0.00 N ATOM 483 CA CYS A 32 -1.325 2.987 0.342 1.00 0.00 C ATOM 484 C CYS A 32 -2.459 3.999 0.115 1.00 0.00 C ATOM 485 O CYS A 32 -3.544 3.620 -0.283 1.00 0.00 O ATOM 486 CB CYS A 32 -1.193 2.721 1.857 1.00 0.00 C ATOM 487 SG CYS A 32 -2.752 2.363 2.703 1.00 0.00 S ATOM 0 H CYS A 32 0.748 3.484 0.485 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.586 2.077 -0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.514 1.882 2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.733 3.591 2.326 1.00 0.00 H new ATOM 492 N CYS A 33 -2.182 5.255 0.370 1.00 0.00 N ATOM 493 CA CYS A 33 -3.224 6.317 0.182 1.00 0.00 C ATOM 494 C CYS A 33 -3.740 6.284 -1.264 1.00 0.00 C ATOM 495 O CYS A 33 -4.936 6.266 -1.488 1.00 0.00 O ATOM 496 CB CYS A 33 -2.599 7.684 0.488 1.00 0.00 C ATOM 497 SG CYS A 33 -3.668 9.147 0.501 1.00 0.00 S ATOM 0 H CYS A 33 -1.278 5.592 0.701 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.062 6.140 0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.119 7.617 1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.810 7.858 -0.244 1.00 0.00 H new ATOM 502 N ALA A 34 -2.820 6.272 -2.200 1.00 0.00 N ATOM 503 CA ALA A 34 -3.207 6.236 -3.648 1.00 0.00 C ATOM 504 C ALA A 34 -4.068 4.999 -3.920 1.00 0.00 C ATOM 505 O ALA A 34 -4.985 5.049 -4.716 1.00 0.00 O ATOM 506 CB ALA A 34 -1.943 6.191 -4.509 1.00 0.00 C ATOM 0 H ALA A 34 -1.815 6.286 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.780 7.129 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.221 6.165 -5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.339 7.077 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.367 5.299 -4.263 1.00 0.00 H new ATOM 512 N GLY A 35 -3.734 3.925 -3.243 1.00 0.00 N ATOM 513 CA GLY A 35 -4.478 2.649 -3.391 1.00 0.00 C ATOM 514 C GLY A 35 -5.959 2.874 -3.060 1.00 0.00 C ATOM 515 O GLY A 35 -6.273 3.828 -2.377 1.00 0.00 O ATOM 0 H GLY A 35 -2.959 3.887 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.376 2.273 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.058 1.893 -2.728 1.00 0.00 H new ATOM 519 N THR A 36 -6.822 2.010 -3.538 1.00 0.00 N ATOM 520 CA THR A 36 -8.283 2.179 -3.254 1.00 0.00 C ATOM 521 C THR A 36 -8.731 1.324 -2.056 1.00 0.00 C ATOM 522 O THR A 36 -7.970 0.545 -1.520 1.00 0.00 O ATOM 523 CB THR A 36 -9.127 1.758 -4.474 1.00 0.00 C ATOM 524 OG1 THR A 36 -8.320 1.971 -5.626 1.00 0.00 O ATOM 525 CG2 THR A 36 -10.311 2.715 -4.714 1.00 0.00 C ATOM 0 H THR A 36 -6.581 1.200 -4.109 1.00 0.00 H new ATOM 0 HA THR A 36 -8.436 3.234 -3.028 1.00 0.00 H new ATOM 0 HB THR A 36 -9.466 0.736 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.820 1.713 -6.428 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.878 2.381 -5.583 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.959 2.720 -3.837 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.934 3.722 -4.892 1.00 0.00 H new ATOM 533 N LYS A 37 -9.971 1.500 -1.679 1.00 0.00 N ATOM 534 CA LYS A 37 -10.547 0.736 -0.527 1.00 0.00 C ATOM 535 C LYS A 37 -10.939 -0.651 -1.085 1.00 0.00 C ATOM 536 O LYS A 37 -11.311 -0.762 -2.238 1.00 0.00 O ATOM 537 CB LYS A 37 -11.778 1.541 0.006 1.00 0.00 C ATOM 538 CG LYS A 37 -12.904 0.640 0.586 1.00 0.00 C ATOM 539 CD LYS A 37 -12.431 -0.004 1.915 1.00 0.00 C ATOM 540 CE LYS A 37 -13.476 -1.023 2.392 1.00 0.00 C ATOM 541 NZ LYS A 37 -13.020 -1.659 3.660 1.00 0.00 N ATOM 0 H LYS A 37 -10.619 2.149 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.856 0.602 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.443 2.233 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.187 2.143 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.803 1.232 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.166 -0.137 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.468 -0.495 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.286 0.766 2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.435 -0.529 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.630 -1.785 1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.761 -2.298 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.151 -2.202 3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.830 -0.922 4.369 1.00 0.00 H new ATOM 555 N GLY A 38 -10.844 -1.663 -0.259 1.00 0.00 N ATOM 556 CA GLY A 38 -11.193 -3.053 -0.690 1.00 0.00 C ATOM 557 C GLY A 38 -9.936 -3.762 -1.213 1.00 0.00 C ATOM 558 O GLY A 38 -9.842 -4.974 -1.191 1.00 0.00 O ATOM 0 H GLY A 38 -10.535 -1.584 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.614 -3.609 0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.956 -3.022 -1.468 1.00 0.00 H new ATOM 562 N CYS A 39 -9.009 -2.958 -1.669 1.00 0.00 N ATOM 563 CA CYS A 39 -7.712 -3.442 -2.218 1.00 0.00 C ATOM 564 C CYS A 39 -6.851 -4.112 -1.144 1.00 0.00 C ATOM 565 O CYS A 39 -7.212 -4.175 0.013 1.00 0.00 O ATOM 566 CB CYS A 39 -6.962 -2.252 -2.805 1.00 0.00 C ATOM 567 SG CYS A 39 -7.758 -1.242 -4.080 1.00 0.00 S ATOM 0 H CYS A 39 -9.107 -1.943 -1.682 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.917 -4.189 -2.984 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.701 -1.590 -1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.027 -2.627 -3.221 1.00 0.00 H new ATOM 572 N LYS A 40 -5.730 -4.615 -1.584 1.00 0.00 N ATOM 573 CA LYS A 40 -4.777 -5.295 -0.659 1.00 0.00 C ATOM 574 C LYS A 40 -3.361 -4.888 -1.074 1.00 0.00 C ATOM 575 O LYS A 40 -2.742 -5.572 -1.860 1.00 0.00 O ATOM 576 CB LYS A 40 -4.956 -6.830 -0.770 1.00 0.00 C ATOM 577 CG LYS A 40 -6.380 -7.238 -0.320 1.00 0.00 C ATOM 578 CD LYS A 40 -6.561 -8.774 -0.394 1.00 0.00 C ATOM 579 CE LYS A 40 -5.647 -9.491 0.623 1.00 0.00 C ATOM 580 NZ LYS A 40 -5.885 -10.960 0.560 1.00 0.00 N ATOM 0 H LYS A 40 -5.430 -4.583 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.961 -5.006 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.787 -7.149 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.213 -7.335 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.556 -6.895 0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.120 -6.749 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.602 -9.031 -0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.333 -9.122 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.602 -9.272 0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.847 -9.123 1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.269 -11.441 1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.880 -11.161 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.673 -11.305 -0.398 1.00 0.00 H new ATOM 594 N TYR A 41 -2.891 -3.787 -0.536 1.00 0.00 N ATOM 595 CA TYR A 41 -1.529 -3.282 -0.857 1.00 0.00 C ATOM 596 C TYR A 41 -0.459 -3.874 0.051 1.00 0.00 C ATOM 597 O TYR A 41 -0.417 -3.605 1.232 1.00 0.00 O ATOM 598 CB TYR A 41 -1.563 -1.749 -0.742 1.00 0.00 C ATOM 599 CG TYR A 41 -2.165 -1.198 -2.043 1.00 0.00 C ATOM 600 CD1 TYR A 41 -3.533 -1.119 -2.220 1.00 0.00 C ATOM 601 CD2 TYR A 41 -1.332 -0.783 -3.066 1.00 0.00 C ATOM 602 CE1 TYR A 41 -4.054 -0.634 -3.401 1.00 0.00 C ATOM 603 CE2 TYR A 41 -1.858 -0.300 -4.244 1.00 0.00 C ATOM 604 CZ TYR A 41 -3.222 -0.223 -4.420 1.00 0.00 C ATOM 605 OH TYR A 41 -3.750 0.258 -5.601 1.00 0.00 O ATOM 0 H TYR A 41 -3.410 -3.209 0.125 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.261 -3.589 -1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.161 -1.443 0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.559 -1.354 -0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.197 -1.438 -1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.261 -0.838 -2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.125 -0.576 -3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.196 0.021 -5.035 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.022 0.504 -6.209 1.00 0.00 H new ATOM 615 N PHE A 42 0.372 -4.674 -0.564 1.00 0.00 N ATOM 616 CA PHE A 42 1.494 -5.365 0.123 1.00 0.00 C ATOM 617 C PHE A 42 2.866 -4.909 -0.381 1.00 0.00 C ATOM 618 O PHE A 42 3.027 -4.480 -1.513 1.00 0.00 O ATOM 619 CB PHE A 42 1.374 -6.897 -0.091 1.00 0.00 C ATOM 620 CG PHE A 42 0.265 -7.283 -1.086 1.00 0.00 C ATOM 621 CD1 PHE A 42 0.357 -6.949 -2.426 1.00 0.00 C ATOM 622 CD2 PHE A 42 -0.843 -7.982 -0.641 1.00 0.00 C ATOM 623 CE1 PHE A 42 -0.644 -7.312 -3.300 1.00 0.00 C ATOM 624 CE2 PHE A 42 -1.842 -8.345 -1.517 1.00 0.00 C ATOM 625 CZ PHE A 42 -1.740 -8.009 -2.847 1.00 0.00 C ATOM 0 H PHE A 42 0.311 -4.883 -1.561 1.00 0.00 H new ATOM 0 HA PHE A 42 1.422 -5.110 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.328 -7.283 -0.451 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.177 -7.377 0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.216 -6.402 -2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.925 -8.245 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.568 -7.048 -4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.703 -8.892 -1.161 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.521 -8.293 -3.536 1.00 0.00 H new ATOM 635 N SER A 43 3.797 -5.034 0.532 1.00 0.00 N ATOM 636 CA SER A 43 5.218 -4.679 0.311 1.00 0.00 C ATOM 637 C SER A 43 5.906 -5.596 -0.706 1.00 0.00 C ATOM 638 O SER A 43 5.311 -6.490 -1.277 1.00 0.00 O ATOM 639 CB SER A 43 5.929 -4.775 1.640 1.00 0.00 C ATOM 640 OG SER A 43 5.372 -3.766 2.464 1.00 0.00 O ATOM 0 H SER A 43 3.609 -5.388 1.470 1.00 0.00 H new ATOM 0 HA SER A 43 5.262 -3.670 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.790 -5.760 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.002 -4.629 1.518 1.00 0.00 H new ATOM 0 HG SER A 43 5.764 -2.899 2.230 1.00 0.00 H new ATOM 646 N ASP A 44 7.171 -5.311 -0.871 1.00 0.00 N ATOM 647 CA ASP A 44 8.048 -6.074 -1.817 1.00 0.00 C ATOM 648 C ASP A 44 8.434 -7.407 -1.172 1.00 0.00 C ATOM 649 O ASP A 44 8.644 -8.394 -1.850 1.00 0.00 O ATOM 650 CB ASP A 44 9.310 -5.228 -2.114 1.00 0.00 C ATOM 651 CG ASP A 44 9.634 -5.246 -3.623 1.00 0.00 C ATOM 652 OD1 ASP A 44 9.815 -6.335 -4.147 1.00 0.00 O ATOM 653 OD2 ASP A 44 9.685 -4.157 -4.171 1.00 0.00 O ATOM 0 H ASP A 44 7.649 -4.559 -0.375 1.00 0.00 H new ATOM 0 HA ASP A 44 7.524 -6.274 -2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.152 -4.202 -1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.157 -5.619 -1.550 1.00 0.00 H new ATOM 658 N ASP A 45 8.511 -7.372 0.135 1.00 0.00 N ATOM 659 CA ASP A 45 8.872 -8.580 0.936 1.00 0.00 C ATOM 660 C ASP A 45 7.736 -9.619 0.865 1.00 0.00 C ATOM 661 O ASP A 45 7.901 -10.746 1.290 1.00 0.00 O ATOM 662 CB ASP A 45 9.114 -8.124 2.390 1.00 0.00 C ATOM 663 CG ASP A 45 9.438 -9.330 3.293 1.00 0.00 C ATOM 664 OD1 ASP A 45 10.576 -9.766 3.233 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.527 -9.747 3.989 1.00 0.00 O ATOM 0 H ASP A 45 8.334 -6.536 0.692 1.00 0.00 H new ATOM 0 HA ASP A 45 9.772 -9.051 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.937 -7.410 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.230 -7.609 2.766 1.00 0.00 H new ATOM 670 N GLY A 46 6.614 -9.205 0.326 1.00 0.00 N ATOM 671 CA GLY A 46 5.441 -10.094 0.197 1.00 0.00 C ATOM 672 C GLY A 46 4.798 -10.167 1.577 1.00 0.00 C ATOM 673 O GLY A 46 4.781 -11.206 2.210 1.00 0.00 O ATOM 0 H GLY A 46 6.470 -8.262 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.738 -9.703 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.741 -11.085 -0.144 1.00 0.00 H new ATOM 677 N THR A 47 4.290 -9.032 1.984 1.00 0.00 N ATOM 678 CA THR A 47 3.623 -8.880 3.290 1.00 0.00 C ATOM 679 C THR A 47 2.609 -7.732 3.195 1.00 0.00 C ATOM 680 O THR A 47 2.958 -6.612 2.874 1.00 0.00 O ATOM 681 CB THR A 47 4.692 -8.568 4.346 1.00 0.00 C ATOM 682 OG1 THR A 47 5.532 -9.713 4.394 1.00 0.00 O ATOM 683 CG2 THR A 47 4.096 -8.466 5.763 1.00 0.00 C ATOM 0 H THR A 47 4.318 -8.175 1.432 1.00 0.00 H new ATOM 0 HA THR A 47 3.097 -9.793 3.569 1.00 0.00 H new ATOM 0 HB THR A 47 5.181 -7.630 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.462 -9.443 4.243 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.890 -8.244 6.476 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.352 -7.670 5.788 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.624 -9.412 6.028 1.00 0.00 H new ATOM 691 N PHE A 48 1.380 -8.072 3.485 1.00 0.00 N ATOM 692 CA PHE A 48 0.252 -7.092 3.449 1.00 0.00 C ATOM 693 C PHE A 48 0.502 -5.867 4.339 1.00 0.00 C ATOM 694 O PHE A 48 0.765 -5.997 5.518 1.00 0.00 O ATOM 695 CB PHE A 48 -1.030 -7.836 3.894 1.00 0.00 C ATOM 696 CG PHE A 48 -2.244 -6.888 3.949 1.00 0.00 C ATOM 697 CD1 PHE A 48 -2.439 -6.079 5.055 1.00 0.00 C ATOM 698 CD2 PHE A 48 -3.155 -6.829 2.909 1.00 0.00 C ATOM 699 CE1 PHE A 48 -3.520 -5.229 5.125 1.00 0.00 C ATOM 700 CE2 PHE A 48 -4.238 -5.977 2.981 1.00 0.00 C ATOM 701 CZ PHE A 48 -4.420 -5.177 4.088 1.00 0.00 C ATOM 0 H PHE A 48 1.103 -9.016 3.753 1.00 0.00 H new ATOM 0 HA PHE A 48 0.150 -6.707 2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.236 -8.653 3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.871 -8.282 4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.735 -6.115 5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.018 -7.452 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.660 -4.604 5.994 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.946 -5.937 2.166 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.268 -4.511 4.140 1.00 0.00 H new ATOM 711 N VAL A 49 0.411 -4.717 3.719 1.00 0.00 N ATOM 712 CA VAL A 49 0.618 -3.425 4.449 1.00 0.00 C ATOM 713 C VAL A 49 -0.733 -2.749 4.736 1.00 0.00 C ATOM 714 O VAL A 49 -0.973 -2.353 5.861 1.00 0.00 O ATOM 715 CB VAL A 49 1.481 -2.471 3.593 1.00 0.00 C ATOM 716 CG1 VAL A 49 1.783 -1.167 4.372 1.00 0.00 C ATOM 717 CG2 VAL A 49 2.782 -3.169 3.216 1.00 0.00 C ATOM 0 H VAL A 49 0.200 -4.616 2.726 1.00 0.00 H new ATOM 0 HA VAL A 49 1.123 -3.640 5.391 1.00 0.00 H new ATOM 0 HB VAL A 49 0.933 -2.210 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.392 -0.507 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.847 -0.668 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.323 -1.407 5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.393 -2.498 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.326 -3.439 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.559 -4.070 2.645 1.00 0.00 H new ATOM 727 N CYS A 50 -1.578 -2.627 3.739 1.00 0.00 N ATOM 728 CA CYS A 50 -2.905 -1.975 3.963 1.00 0.00 C ATOM 729 C CYS A 50 -3.839 -2.403 2.835 1.00 0.00 C ATOM 730 O CYS A 50 -3.485 -3.218 2.009 1.00 0.00 O ATOM 731 CB CYS A 50 -2.745 -0.434 3.940 1.00 0.00 C ATOM 732 SG CYS A 50 -3.069 0.397 2.364 1.00 0.00 S ATOM 0 H CYS A 50 -1.406 -2.949 2.786 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.310 -2.272 4.930 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.413 -0.012 4.690 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.727 -0.193 4.248 1.00 0.00 H new ATOM 737 N GLU A 51 -5.010 -1.827 2.859 1.00 0.00 N ATOM 738 CA GLU A 51 -6.057 -2.110 1.833 1.00 0.00 C ATOM 739 C GLU A 51 -6.288 -0.768 1.109 1.00 0.00 C ATOM 740 O GLU A 51 -7.374 -0.225 1.064 1.00 0.00 O ATOM 741 CB GLU A 51 -7.318 -2.656 2.606 1.00 0.00 C ATOM 742 CG GLU A 51 -8.657 -2.444 1.839 1.00 0.00 C ATOM 743 CD GLU A 51 -9.704 -3.484 2.261 1.00 0.00 C ATOM 744 OE1 GLU A 51 -9.535 -4.616 1.836 1.00 0.00 O ATOM 745 OE2 GLU A 51 -10.610 -3.094 2.979 1.00 0.00 O ATOM 0 H GLU A 51 -5.293 -1.151 3.569 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.796 -2.861 1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.183 -3.720 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.382 -2.162 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.037 -1.441 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.481 -2.515 0.766 1.00 0.00 H new ATOM 752 N GLY A 52 -5.210 -0.270 0.552 1.00 0.00 N ATOM 753 CA GLY A 52 -5.241 1.031 -0.189 1.00 0.00 C ATOM 754 C GLY A 52 -5.953 2.092 0.667 1.00 0.00 C ATOM 755 O GLY A 52 -5.618 2.232 1.826 1.00 0.00 O ATOM 0 H GLY A 52 -4.294 -0.718 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.226 1.355 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.759 0.908 -1.140 1.00 0.00 H new ATOM 759 N GLU A 53 -6.894 2.773 0.056 1.00 0.00 N ATOM 760 CA GLU A 53 -7.733 3.856 0.676 1.00 0.00 C ATOM 761 C GLU A 53 -7.997 4.918 -0.397 1.00 0.00 C ATOM 762 O GLU A 53 -7.397 5.975 -0.391 1.00 0.00 O ATOM 763 CB GLU A 53 -7.019 4.542 1.916 1.00 0.00 C ATOM 764 CG GLU A 53 -7.844 5.744 2.470 1.00 0.00 C ATOM 765 CD GLU A 53 -9.319 5.341 2.666 1.00 0.00 C ATOM 766 OE1 GLU A 53 -9.580 4.689 3.666 1.00 0.00 O ATOM 767 OE2 GLU A 53 -10.098 5.707 1.801 1.00 0.00 O ATOM 0 H GLU A 53 -7.131 2.607 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.657 3.408 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.876 3.805 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.029 4.887 1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.422 6.076 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.779 6.586 1.781 1.00 0.00 H new ATOM 774 N SER A 54 -8.888 4.575 -1.295 1.00 0.00 N ATOM 775 CA SER A 54 -9.304 5.466 -2.433 1.00 0.00 C ATOM 776 C SER A 54 -8.109 6.072 -3.218 1.00 0.00 C ATOM 777 O SER A 54 -7.772 5.434 -4.202 1.00 0.00 O ATOM 778 CB SER A 54 -10.244 6.598 -1.860 1.00 0.00 C ATOM 779 OG SER A 54 -9.520 7.322 -0.874 1.00 0.00 O ATOM 0 H SER A 54 -9.366 3.674 -1.287 1.00 0.00 H new ATOM 0 HA SER A 54 -9.839 4.856 -3.161 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.567 7.264 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.144 6.161 -1.426 1.00 0.00 H new ATOM 0 HG SER A 54 -8.568 7.096 -0.936 1.00 0.00 H new TER 785 SER A 54