USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 411 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 ALA N :NH3+ 176:sc= -1.85! (180deg=-2.04!) USER MOD Single : A 2 MET CE :methyl -118:sc= -0.381 (180deg=-3.91!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= -0.0937 (180deg=-0.539) USER MOD Single : A 10 LYS NZ :NH3+ -115:sc= 0.689 (180deg=-0.65!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.06 USER MOD Single : A 50 HIS : no HD1:sc= -4.4! K(o=-4.4!,f=-0.68) USER MOD Single : A 52 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.22) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0558 (180deg=-0.404) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.034 -0.494 1.572 1.00 0.00 N ATOM 2 CA ALA A 1 0.192 -0.933 0.432 1.00 0.00 C ATOM 3 C ALA A 1 -0.562 0.257 -0.139 1.00 0.00 C ATOM 4 O ALA A 1 -0.989 1.134 0.610 1.00 0.00 O ATOM 5 CB ALA A 1 -0.786 -2.023 0.860 1.00 0.00 C ATOM 0 H1 ALA A 1 1.495 -1.321 2.002 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.760 0.169 1.233 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.438 -0.022 2.282 1.00 0.00 H new ATOM 0 HA ALA A 1 0.843 -1.349 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.390 -2.326 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.231 -2.883 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.436 -1.640 1.646 1.00 0.00 H new ATOM 13 N MET A 2 -0.713 0.279 -1.462 1.00 0.00 N ATOM 14 CA MET A 2 -1.407 1.364 -2.148 1.00 0.00 C ATOM 15 C MET A 2 -2.824 1.514 -1.613 1.00 0.00 C ATOM 16 O MET A 2 -3.212 2.581 -1.134 1.00 0.00 O ATOM 17 CB MET A 2 -1.440 1.100 -3.657 1.00 0.00 C ATOM 18 CG MET A 2 -1.741 2.336 -4.488 1.00 0.00 C ATOM 19 SD MET A 2 -1.838 1.976 -6.252 1.00 0.00 S ATOM 20 CE MET A 2 -1.858 3.634 -6.925 1.00 0.00 C ATOM 0 H MET A 2 -0.360 -0.449 -2.083 1.00 0.00 H new ATOM 0 HA MET A 2 -0.866 2.292 -1.963 1.00 0.00 H new ATOM 0 HB2 MET A 2 -0.478 0.691 -3.966 1.00 0.00 H new ATOM 0 HB3 MET A 2 -2.192 0.340 -3.867 1.00 0.00 H new ATOM 0 HG2 MET A 2 -2.684 2.771 -4.157 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.967 3.083 -4.315 1.00 0.00 H new ATOM 0 HE1 MET A 2 -2.793 3.798 -7.460 1.00 0.00 H new ATOM 0 HE2 MET A 2 -1.772 4.357 -6.114 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.021 3.758 -7.612 1.00 0.00 H new ATOM 30 N GLY A 3 -3.596 0.438 -1.679 1.00 0.00 N ATOM 31 CA GLY A 3 -4.948 0.499 -1.175 1.00 0.00 C ATOM 32 C GLY A 3 -5.938 0.980 -2.195 1.00 0.00 C ATOM 33 O GLY A 3 -5.625 1.137 -3.378 1.00 0.00 O ATOM 0 H GLY A 3 -3.314 -0.462 -2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.245 -0.491 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.977 1.161 -0.310 1.00 0.00 H new ATOM 37 N LYS A 4 -7.124 1.271 -1.706 1.00 0.00 N ATOM 38 CA LYS A 4 -8.202 1.815 -2.498 1.00 0.00 C ATOM 39 C LYS A 4 -7.981 3.321 -2.552 1.00 0.00 C ATOM 40 O LYS A 4 -8.907 4.125 -2.433 1.00 0.00 O ATOM 41 CB LYS A 4 -9.511 1.499 -1.793 1.00 0.00 C ATOM 42 CG LYS A 4 -10.713 1.452 -2.730 1.00 0.00 C ATOM 43 CD LYS A 4 -12.032 1.318 -1.981 1.00 0.00 C ATOM 44 CE LYS A 4 -12.386 2.602 -1.245 1.00 0.00 C ATOM 45 NZ LYS A 4 -13.779 2.588 -0.719 1.00 0.00 N ATOM 0 H LYS A 4 -7.369 1.132 -0.726 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.233 1.398 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.418 0.539 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.690 2.250 -1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.733 2.358 -3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.602 0.613 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.827 1.069 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.966 0.495 -1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.690 2.748 -0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.263 3.450 -1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.973 3.483 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.447 2.475 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.891 1.796 -0.055 1.00 0.00 H new ATOM 59 N CYS A 5 -6.709 3.672 -2.630 1.00 0.00 N ATOM 60 CA CYS A 5 -6.261 5.043 -2.594 1.00 0.00 C ATOM 61 C CYS A 5 -5.163 5.276 -3.634 1.00 0.00 C ATOM 62 O CYS A 5 -3.981 5.073 -3.344 1.00 0.00 O ATOM 63 CB CYS A 5 -5.699 5.292 -1.190 1.00 0.00 C ATOM 64 SG CYS A 5 -6.662 4.521 0.162 1.00 0.00 S ATOM 0 H CYS A 5 -5.950 2.997 -2.722 1.00 0.00 H new ATOM 0 HA CYS A 5 -7.085 5.720 -2.819 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -4.676 4.917 -1.150 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.651 6.367 -1.017 1.00 0.00 H new ATOM 69 N SER A 6 -5.547 5.697 -4.841 1.00 0.00 N ATOM 70 CA SER A 6 -4.569 5.954 -5.902 1.00 0.00 C ATOM 71 C SER A 6 -3.730 7.178 -5.552 1.00 0.00 C ATOM 72 O SER A 6 -3.890 7.736 -4.482 1.00 0.00 O ATOM 73 CB SER A 6 -5.254 6.160 -7.254 1.00 0.00 C ATOM 74 OG SER A 6 -6.039 5.034 -7.611 1.00 0.00 O ATOM 0 H SER A 6 -6.517 5.866 -5.107 1.00 0.00 H new ATOM 0 HA SER A 6 -3.922 5.081 -5.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.885 7.048 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.501 6.339 -8.022 1.00 0.00 H new ATOM 0 HG SER A 6 -6.466 5.195 -8.478 1.00 0.00 H new ATOM 80 N VAL A 7 -2.834 7.595 -6.449 1.00 0.00 N ATOM 81 CA VAL A 7 -1.974 8.747 -6.197 1.00 0.00 C ATOM 82 C VAL A 7 -2.746 9.991 -5.763 1.00 0.00 C ATOM 83 O VAL A 7 -2.366 10.656 -4.803 1.00 0.00 O ATOM 84 CB VAL A 7 -1.111 9.073 -7.429 1.00 0.00 C ATOM 85 CG1 VAL A 7 0.034 8.086 -7.526 1.00 0.00 C ATOM 86 CG2 VAL A 7 -1.928 9.037 -8.712 1.00 0.00 C ATOM 0 H VAL A 7 -2.687 7.151 -7.355 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.330 8.461 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.722 10.084 -7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.643 8.320 -8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.648 8.151 -6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.364 7.076 -7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.285 9.272 -9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.354 8.042 -8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.732 9.771 -8.652 1.00 0.00 H new ATOM 96 N LEU A 8 -3.826 10.297 -6.462 1.00 0.00 N ATOM 97 CA LEU A 8 -4.640 11.458 -6.134 1.00 0.00 C ATOM 98 C LEU A 8 -5.417 11.217 -4.845 1.00 0.00 C ATOM 99 O LEU A 8 -5.467 12.078 -3.971 1.00 0.00 O ATOM 100 CB LEU A 8 -5.592 11.755 -7.301 1.00 0.00 C ATOM 101 CG LEU A 8 -6.292 13.120 -7.293 1.00 0.00 C ATOM 102 CD1 LEU A 8 -7.476 13.120 -6.337 1.00 0.00 C ATOM 103 CD2 LEU A 8 -5.306 14.228 -6.944 1.00 0.00 C ATOM 0 H LEU A 8 -4.161 9.758 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.994 12.321 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.028 11.668 -8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.359 10.980 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.675 13.311 -8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.954 14.099 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.194 12.361 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.129 12.900 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.822 15.188 -6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.885 14.042 -5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.504 14.248 -7.682 1.00 0.00 H new ATOM 115 N LYS A 9 -6.027 10.045 -4.711 1.00 0.00 N ATOM 116 CA LYS A 9 -6.785 9.748 -3.515 1.00 0.00 C ATOM 117 C LYS A 9 -5.861 9.331 -2.361 1.00 0.00 C ATOM 118 O LYS A 9 -6.321 8.960 -1.281 1.00 0.00 O ATOM 119 CB LYS A 9 -7.843 8.689 -3.807 1.00 0.00 C ATOM 120 CG LYS A 9 -8.895 9.137 -4.829 1.00 0.00 C ATOM 121 CD LYS A 9 -10.123 8.234 -4.827 1.00 0.00 C ATOM 122 CE LYS A 9 -11.134 8.633 -3.752 1.00 0.00 C ATOM 123 NZ LYS A 9 -11.662 10.020 -3.944 1.00 0.00 N ATOM 0 H LYS A 9 -6.009 9.300 -5.407 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.300 10.655 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.352 7.788 -4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.344 8.421 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.199 10.161 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.452 9.142 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.602 8.273 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.812 7.202 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.965 7.928 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.664 8.560 -2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.590 10.105 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.002 10.704 -3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.761 10.216 -4.961 1.00 0.00 H new ATOM 137 N LYS A 10 -4.557 9.454 -2.587 1.00 0.00 N ATOM 138 CA LYS A 10 -3.558 9.165 -1.566 1.00 0.00 C ATOM 139 C LYS A 10 -3.374 10.449 -0.785 1.00 0.00 C ATOM 140 O LYS A 10 -2.831 10.481 0.317 1.00 0.00 O ATOM 141 CB LYS A 10 -2.239 8.733 -2.209 1.00 0.00 C ATOM 142 CG LYS A 10 -1.299 7.990 -1.276 1.00 0.00 C ATOM 143 CD LYS A 10 0.053 7.757 -1.932 1.00 0.00 C ATOM 144 CE LYS A 10 0.941 6.859 -1.086 1.00 0.00 C ATOM 145 NZ LYS A 10 0.474 5.446 -1.095 1.00 0.00 N ATOM 0 H LYS A 10 -4.165 9.755 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.877 8.348 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.458 8.097 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.728 9.617 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.167 8.561 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.740 7.034 -0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.092 7.305 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.550 8.714 -2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.964 6.905 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.959 7.229 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.169 5.175 -0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.325 5.349 -1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.251 4.825 -1.399 1.00 0.00 H new ATOM 159 N VAL A 11 -3.885 11.509 -1.390 1.00 0.00 N ATOM 160 CA VAL A 11 -3.865 12.827 -0.822 1.00 0.00 C ATOM 161 C VAL A 11 -5.166 13.013 -0.056 1.00 0.00 C ATOM 162 O VAL A 11 -5.279 13.826 0.860 1.00 0.00 O ATOM 163 CB VAL A 11 -3.730 13.866 -1.968 1.00 0.00 C ATOM 164 CG1 VAL A 11 -4.970 14.732 -2.123 1.00 0.00 C ATOM 165 CG2 VAL A 11 -2.504 14.714 -1.775 1.00 0.00 C ATOM 0 H VAL A 11 -4.331 11.466 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.023 12.964 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.625 13.303 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.820 15.440 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.830 14.100 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.151 15.278 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.429 15.435 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.574 15.245 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.619 14.078 -1.771 1.00 0.00 H new ATOM 175 N ALA A 12 -6.151 12.229 -0.481 1.00 0.00 N ATOM 176 CA ALA A 12 -7.485 12.256 0.090 1.00 0.00 C ATOM 177 C ALA A 12 -7.680 11.229 1.203 1.00 0.00 C ATOM 178 O ALA A 12 -8.649 11.324 1.952 1.00 0.00 O ATOM 179 CB ALA A 12 -8.512 12.029 -1.007 1.00 0.00 C ATOM 0 H ALA A 12 -6.041 11.553 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.620 13.239 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.514 12.049 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.423 12.815 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.337 11.060 -1.474 1.00 0.00 H new ATOM 185 N CYS A 13 -6.784 10.246 1.336 1.00 0.00 N ATOM 186 CA CYS A 13 -6.954 9.262 2.410 1.00 0.00 C ATOM 187 C CYS A 13 -6.735 9.926 3.742 1.00 0.00 C ATOM 188 O CYS A 13 -7.346 9.547 4.728 1.00 0.00 O ATOM 189 CB CYS A 13 -6.032 8.043 2.303 1.00 0.00 C ATOM 190 SG CYS A 13 -4.297 8.407 1.897 1.00 0.00 S ATOM 0 H CYS A 13 -5.966 10.111 0.741 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.973 8.888 2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.060 7.504 3.250 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.432 7.372 1.542 1.00 0.00 H new ATOM 195 N ALA A 14 -5.883 10.944 3.753 1.00 0.00 N ATOM 196 CA ALA A 14 -5.607 11.686 4.966 1.00 0.00 C ATOM 197 C ALA A 14 -6.873 12.366 5.454 1.00 0.00 C ATOM 198 O ALA A 14 -7.027 12.620 6.637 1.00 0.00 O ATOM 199 CB ALA A 14 -4.507 12.707 4.728 1.00 0.00 C ATOM 0 H ALA A 14 -5.373 11.271 2.932 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.264 10.992 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.313 13.255 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.598 12.195 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.820 13.404 3.951 1.00 0.00 H new ATOM 205 N ALA A 15 -7.783 12.626 4.518 1.00 0.00 N ATOM 206 CA ALA A 15 -9.060 13.242 4.823 1.00 0.00 C ATOM 207 C ALA A 15 -10.076 12.159 5.170 1.00 0.00 C ATOM 208 O ALA A 15 -10.927 12.342 6.037 1.00 0.00 O ATOM 209 CB ALA A 15 -9.539 14.072 3.643 1.00 0.00 C ATOM 0 H ALA A 15 -7.650 12.414 3.529 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.946 13.907 5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.499 14.529 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.810 14.853 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.653 13.430 2.769 1.00 0.00 H new ATOM 215 N ALA A 16 -9.957 11.022 4.487 1.00 0.00 N ATOM 216 CA ALA A 16 -10.837 9.881 4.716 1.00 0.00 C ATOM 217 C ALA A 16 -10.656 9.340 6.118 1.00 0.00 C ATOM 218 O ALA A 16 -11.625 9.164 6.856 1.00 0.00 O ATOM 219 CB ALA A 16 -10.575 8.789 3.691 1.00 0.00 C ATOM 0 H ALA A 16 -9.253 10.867 3.765 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.867 10.219 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.241 7.947 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.756 9.179 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.540 8.457 3.769 1.00 0.00 H new ATOM 225 N ILE A 17 -9.413 9.075 6.492 1.00 0.00 N ATOM 226 CA ILE A 17 -9.141 8.560 7.810 1.00 0.00 C ATOM 227 C ILE A 17 -9.198 9.667 8.867 1.00 0.00 C ATOM 228 O ILE A 17 -9.438 9.397 10.042 1.00 0.00 O ATOM 229 CB ILE A 17 -7.811 7.753 7.866 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.518 7.337 9.280 1.00 0.00 C ATOM 231 CG2 ILE A 17 -6.598 8.492 7.337 1.00 0.00 C ATOM 232 CD1 ILE A 17 -6.651 8.329 10.019 1.00 0.00 C ATOM 0 H ILE A 17 -8.591 9.209 5.904 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.934 7.851 8.048 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.977 6.896 7.213 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.458 7.212 9.818 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.024 6.366 9.272 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.719 7.852 7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.761 8.758 6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.441 9.398 7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.475 7.973 11.034 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.698 8.436 9.501 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.154 9.295 10.056 1.00 0.00 H new ATOM 244 N ALA A 18 -8.996 10.906 8.442 1.00 0.00 N ATOM 245 CA ALA A 18 -9.043 12.064 9.350 1.00 0.00 C ATOM 246 C ALA A 18 -10.278 12.038 10.248 1.00 0.00 C ATOM 247 O ALA A 18 -10.192 12.342 11.434 1.00 0.00 O ATOM 248 CB ALA A 18 -9.026 13.368 8.574 1.00 0.00 C ATOM 0 H ALA A 18 -8.796 11.145 7.471 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.154 11.999 9.977 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.062 14.206 9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.113 13.427 7.981 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.891 13.409 7.912 1.00 0.00 H new ATOM 254 N GLY A 19 -11.423 11.674 9.680 1.00 0.00 N ATOM 255 CA GLY A 19 -12.651 11.615 10.457 1.00 0.00 C ATOM 256 C GLY A 19 -12.609 10.536 11.524 1.00 0.00 C ATOM 257 O GLY A 19 -13.340 10.598 12.511 1.00 0.00 O ATOM 0 H GLY A 19 -11.524 11.419 8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.826 12.582 10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.492 11.429 9.789 1.00 0.00 H new ATOM 261 N ALA A 20 -11.741 9.548 11.328 1.00 0.00 N ATOM 262 CA ALA A 20 -11.595 8.455 12.273 1.00 0.00 C ATOM 263 C ALA A 20 -10.659 8.832 13.403 1.00 0.00 C ATOM 264 O ALA A 20 -10.925 8.517 14.562 1.00 0.00 O ATOM 265 CB ALA A 20 -11.108 7.204 11.575 1.00 0.00 C ATOM 0 H ALA A 20 -11.126 9.486 10.517 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.576 8.251 12.701 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.006 6.398 12.302 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.826 6.912 10.808 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.141 7.399 11.111 1.00 0.00 H new ATOM 271 N VAL A 21 -9.573 9.522 13.081 1.00 0.00 N ATOM 272 CA VAL A 21 -8.652 9.948 14.122 1.00 0.00 C ATOM 273 C VAL A 21 -9.330 11.005 14.953 1.00 0.00 C ATOM 274 O VAL A 21 -9.193 11.036 16.159 1.00 0.00 O ATOM 275 CB VAL A 21 -7.320 10.507 13.604 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.541 9.452 12.857 1.00 0.00 C ATOM 277 CG2 VAL A 21 -7.511 11.744 12.758 1.00 0.00 C ATOM 0 H VAL A 21 -9.313 9.792 12.132 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.404 9.058 14.700 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.738 10.804 14.477 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.602 9.876 12.502 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.332 8.615 13.523 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.126 9.102 12.006 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.541 12.103 12.414 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.135 11.503 11.897 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.995 12.519 13.351 1.00 0.00 H new ATOM 287 N ALA A 22 -10.088 11.848 14.274 1.00 0.00 N ATOM 288 CA ALA A 22 -10.848 12.909 14.913 1.00 0.00 C ATOM 289 C ALA A 22 -11.845 12.307 15.892 1.00 0.00 C ATOM 290 O ALA A 22 -12.274 12.961 16.845 1.00 0.00 O ATOM 291 CB ALA A 22 -11.572 13.739 13.866 1.00 0.00 C ATOM 0 H ALA A 22 -10.194 11.816 13.260 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.164 13.560 15.458 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.138 14.531 14.357 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.844 14.181 13.186 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.254 13.101 13.304 1.00 0.00 H new ATOM 297 N ALA A 23 -12.196 11.041 15.659 1.00 0.00 N ATOM 298 CA ALA A 23 -13.119 10.337 16.525 1.00 0.00 C ATOM 299 C ALA A 23 -12.418 9.899 17.809 1.00 0.00 C ATOM 300 O ALA A 23 -13.065 9.668 18.828 1.00 0.00 O ATOM 301 CB ALA A 23 -13.718 9.134 15.807 1.00 0.00 C ATOM 0 H ALA A 23 -11.850 10.489 14.874 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.929 11.017 16.788 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -14.409 8.619 16.475 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.254 9.470 14.919 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.921 8.452 15.513 1.00 0.00 H new ATOM 307 N CYS A 24 -11.090 9.771 17.753 1.00 0.00 N ATOM 308 CA CYS A 24 -10.324 9.348 18.920 1.00 0.00 C ATOM 309 C CYS A 24 -9.461 10.483 19.485 1.00 0.00 C ATOM 310 O CYS A 24 -9.506 10.762 20.680 1.00 0.00 O ATOM 311 CB CYS A 24 -9.442 8.159 18.554 1.00 0.00 C ATOM 312 SG CYS A 24 -9.049 7.069 19.957 1.00 0.00 S ATOM 0 H CYS A 24 -10.531 9.953 16.920 1.00 0.00 H new ATOM 0 HA CYS A 24 -11.034 9.059 19.695 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.941 7.574 17.781 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.512 8.529 18.123 1.00 0.00 H new ATOM 317 N GLY A 25 -8.670 11.129 18.630 1.00 0.00 N ATOM 318 CA GLY A 25 -7.811 12.204 19.077 1.00 0.00 C ATOM 319 C GLY A 25 -6.418 12.084 18.497 1.00 0.00 C ATOM 320 O GLY A 25 -5.432 11.983 19.233 1.00 0.00 O ATOM 0 H GLY A 25 -8.612 10.923 17.633 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.245 13.161 18.787 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.754 12.196 20.165 1.00 0.00 H new ATOM 324 N GLY A 26 -6.338 12.075 17.171 1.00 0.00 N ATOM 325 CA GLY A 26 -5.057 11.944 16.498 1.00 0.00 C ATOM 326 C GLY A 26 -4.876 10.560 15.911 1.00 0.00 C ATOM 327 O GLY A 26 -5.761 9.714 16.056 1.00 0.00 O ATOM 0 H GLY A 26 -7.141 12.156 16.547 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.984 12.689 15.705 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.252 12.149 17.203 1.00 0.00 H new ATOM 331 N ILE A 27 -3.741 10.320 15.249 1.00 0.00 N ATOM 332 CA ILE A 27 -3.458 9.015 14.645 1.00 0.00 C ATOM 333 C ILE A 27 -3.297 7.923 15.719 1.00 0.00 C ATOM 334 O ILE A 27 -2.190 7.522 16.086 1.00 0.00 O ATOM 335 CB ILE A 27 -2.202 9.066 13.736 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.517 9.846 12.464 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.739 7.667 13.348 1.00 0.00 C ATOM 338 CD1 ILE A 27 -3.448 9.098 11.531 1.00 0.00 C ATOM 0 H ILE A 27 -3.003 11.012 15.118 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.316 8.760 14.022 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.407 9.557 14.297 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.969 10.801 12.732 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.587 10.069 11.940 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.857 7.739 12.711 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.492 7.103 14.247 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.536 7.157 12.807 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.636 9.702 10.643 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.988 8.155 11.237 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.391 8.899 12.041 1.00 0.00 H new ATOM 350 N ASP A 28 -4.424 7.413 16.171 1.00 0.00 N ATOM 351 CA ASP A 28 -4.453 6.315 17.116 1.00 0.00 C ATOM 352 C ASP A 28 -4.866 5.160 16.250 1.00 0.00 C ATOM 353 O ASP A 28 -6.045 4.856 16.153 1.00 0.00 O ATOM 354 CB ASP A 28 -5.478 6.534 18.240 1.00 0.00 C ATOM 355 CG ASP A 28 -5.304 5.568 19.393 1.00 0.00 C ATOM 356 OD1 ASP A 28 -5.451 4.350 19.180 1.00 0.00 O ATOM 357 OD2 ASP A 28 -5.027 6.029 20.518 1.00 0.00 O ATOM 0 H ASP A 28 -5.347 7.748 15.894 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.501 6.180 17.630 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.390 7.555 18.612 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.484 6.429 17.833 1.00 0.00 H new ATOM 362 N LEU A 29 -3.906 4.623 15.512 1.00 0.00 N ATOM 363 CA LEU A 29 -4.177 3.603 14.529 1.00 0.00 C ATOM 364 C LEU A 29 -5.161 2.504 14.959 1.00 0.00 C ATOM 365 O LEU A 29 -6.086 2.217 14.201 1.00 0.00 O ATOM 366 CB LEU A 29 -2.889 3.067 13.862 1.00 0.00 C ATOM 367 CG LEU A 29 -1.624 2.894 14.715 1.00 0.00 C ATOM 368 CD1 LEU A 29 -0.556 2.194 13.895 1.00 0.00 C ATOM 369 CD2 LEU A 29 -1.070 4.232 15.183 1.00 0.00 C ATOM 0 H LEU A 29 -2.923 4.886 15.583 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.735 4.124 13.751 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.125 2.097 13.423 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.641 3.737 13.039 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.895 2.305 15.591 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.343 2.070 14.499 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.921 1.216 13.582 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.322 2.793 13.015 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.176 4.066 15.783 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.817 4.844 14.317 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.820 4.746 15.784 1.00 0.00 H new ATOM 381 N PRO A 30 -5.049 1.886 16.153 1.00 0.00 N ATOM 382 CA PRO A 30 -6.023 0.867 16.561 1.00 0.00 C ATOM 383 C PRO A 30 -7.409 1.470 16.822 1.00 0.00 C ATOM 384 O PRO A 30 -8.418 0.764 16.836 1.00 0.00 O ATOM 385 CB PRO A 30 -5.438 0.292 17.851 1.00 0.00 C ATOM 386 CG PRO A 30 -4.527 1.349 18.378 1.00 0.00 C ATOM 387 CD PRO A 30 -4.023 2.124 17.188 1.00 0.00 C ATOM 0 HA PRO A 30 -6.174 0.117 15.785 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.224 0.057 18.569 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.896 -0.634 17.658 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.055 2.004 19.070 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.698 0.905 18.929 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.922 3.185 17.415 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.042 1.772 16.868 1.00 0.00 H new ATOM 395 N CYS A 31 -7.437 2.782 17.035 1.00 0.00 N ATOM 396 CA CYS A 31 -8.667 3.510 17.312 1.00 0.00 C ATOM 397 C CYS A 31 -9.373 3.952 16.027 1.00 0.00 C ATOM 398 O CYS A 31 -10.564 3.696 15.849 1.00 0.00 O ATOM 399 CB CYS A 31 -8.351 4.751 18.150 1.00 0.00 C ATOM 400 SG CYS A 31 -9.662 5.244 19.313 1.00 0.00 S ATOM 0 H CYS A 31 -6.604 3.370 17.020 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.331 2.836 17.854 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.436 4.568 18.713 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.150 5.585 17.477 1.00 0.00 H new ATOM 405 N VAL A 32 -8.643 4.645 15.145 1.00 0.00 N ATOM 406 CA VAL A 32 -9.228 5.150 13.898 1.00 0.00 C ATOM 407 C VAL A 32 -9.646 4.009 12.986 1.00 0.00 C ATOM 408 O VAL A 32 -10.628 4.127 12.278 1.00 0.00 O ATOM 409 CB VAL A 32 -8.269 6.126 13.135 1.00 0.00 C ATOM 410 CG1 VAL A 32 -7.173 6.607 14.060 1.00 0.00 C ATOM 411 CG2 VAL A 32 -7.712 5.533 11.853 1.00 0.00 C ATOM 0 H VAL A 32 -7.655 4.867 15.270 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.113 5.718 14.184 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.861 6.985 12.821 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.512 7.285 13.520 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.616 7.131 14.907 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.600 5.753 14.421 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.056 6.258 11.372 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.147 4.630 12.085 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.533 5.284 11.180 1.00 0.00 H new ATOM 421 N LEU A 33 -8.894 2.913 12.995 1.00 0.00 N ATOM 422 CA LEU A 33 -9.199 1.778 12.139 1.00 0.00 C ATOM 423 C LEU A 33 -10.601 1.217 12.390 1.00 0.00 C ATOM 424 O LEU A 33 -11.230 0.703 11.472 1.00 0.00 O ATOM 425 CB LEU A 33 -8.162 0.688 12.339 1.00 0.00 C ATOM 426 CG LEU A 33 -8.070 -0.311 11.199 1.00 0.00 C ATOM 427 CD1 LEU A 33 -7.001 0.109 10.199 1.00 0.00 C ATOM 428 CD2 LEU A 33 -7.792 -1.685 11.750 1.00 0.00 C ATOM 0 H LEU A 33 -8.071 2.789 13.585 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.172 2.132 11.109 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.186 1.154 12.477 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.391 0.150 13.259 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.022 -0.336 10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.952 -0.621 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.250 1.088 9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.034 0.161 10.700 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.727 -2.400 10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.849 -1.674 12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.599 -1.977 12.422 1.00 0.00 H new ATOM 440 N ALA A 34 -11.088 1.319 13.623 1.00 0.00 N ATOM 441 CA ALA A 34 -12.420 0.819 13.963 1.00 0.00 C ATOM 442 C ALA A 34 -13.506 1.597 13.219 1.00 0.00 C ATOM 443 O ALA A 34 -14.518 1.032 12.794 1.00 0.00 O ATOM 444 CB ALA A 34 -12.646 0.910 15.464 1.00 0.00 C ATOM 0 H ALA A 34 -10.584 1.742 14.402 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.479 -0.225 13.656 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.641 0.535 15.706 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.897 0.311 15.982 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.563 1.949 15.782 1.00 0.00 H new ATOM 450 N ALA A 35 -13.287 2.897 13.063 1.00 0.00 N ATOM 451 CA ALA A 35 -14.238 3.759 12.372 1.00 0.00 C ATOM 452 C ALA A 35 -13.884 3.898 10.898 1.00 0.00 C ATOM 453 O ALA A 35 -14.757 3.877 10.032 1.00 0.00 O ATOM 454 CB ALA A 35 -14.272 5.130 13.022 1.00 0.00 C ATOM 0 H ALA A 35 -12.456 3.379 13.407 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.223 3.298 12.447 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.986 5.764 12.497 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.573 5.031 14.065 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.281 5.581 12.972 1.00 0.00 H new ATOM 460 N LEU A 36 -12.594 4.045 10.627 1.00 0.00 N ATOM 461 CA LEU A 36 -12.099 4.196 9.272 1.00 0.00 C ATOM 462 C LEU A 36 -12.294 2.937 8.458 1.00 0.00 C ATOM 463 O LEU A 36 -12.231 2.972 7.232 1.00 0.00 O ATOM 464 CB LEU A 36 -10.603 4.511 9.261 1.00 0.00 C ATOM 465 CG LEU A 36 -9.990 4.384 7.875 1.00 0.00 C ATOM 466 CD1 LEU A 36 -10.455 5.514 7.005 1.00 0.00 C ATOM 467 CD2 LEU A 36 -8.490 4.318 7.897 1.00 0.00 C ATOM 0 H LEU A 36 -11.866 4.062 11.341 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.669 5.016 8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.446 5.524 9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.088 3.837 9.945 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.332 3.435 7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.012 5.416 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.541 5.485 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.150 6.463 7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.115 4.228 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.092 5.226 8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.172 3.452 8.478 1.00 0.00 H new ATOM 479 N LYS A 37 -12.483 1.813 9.116 1.00 0.00 N ATOM 480 CA LYS A 37 -12.616 0.576 8.375 1.00 0.00 C ATOM 481 C LYS A 37 -13.827 0.631 7.433 1.00 0.00 C ATOM 482 O LYS A 37 -13.905 -0.136 6.474 1.00 0.00 O ATOM 483 CB LYS A 37 -12.689 -0.643 9.308 1.00 0.00 C ATOM 484 CG LYS A 37 -11.859 -1.839 8.839 1.00 0.00 C ATOM 485 CD LYS A 37 -12.431 -2.454 7.568 1.00 0.00 C ATOM 486 CE LYS A 37 -11.466 -3.429 6.901 1.00 0.00 C ATOM 487 NZ LYS A 37 -11.104 -4.575 7.782 1.00 0.00 N ATOM 0 H LYS A 37 -12.547 1.728 10.130 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.719 0.459 7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.352 -0.347 10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.730 -0.952 9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.832 -1.522 8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.828 -2.592 9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.359 -2.973 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.682 -1.659 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.916 -3.809 5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.559 -2.897 6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.447 -5.205 7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.649 -4.218 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.964 -5.102 8.036 1.00 0.00 H new ATOM 501 N ALA A 38 -14.740 1.582 7.675 1.00 0.00 N ATOM 502 CA ALA A 38 -15.893 1.770 6.797 1.00 0.00 C ATOM 503 C ALA A 38 -15.375 2.135 5.412 1.00 0.00 C ATOM 504 O ALA A 38 -15.972 1.799 4.385 1.00 0.00 O ATOM 505 CB ALA A 38 -16.819 2.853 7.336 1.00 0.00 C ATOM 0 H ALA A 38 -14.700 2.226 8.465 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.476 0.851 6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.669 2.973 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.176 2.567 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.275 3.795 7.405 1.00 0.00 H new ATOM 511 N ALA A 39 -14.204 2.766 5.414 1.00 0.00 N ATOM 512 CA ALA A 39 -13.495 3.137 4.202 1.00 0.00 C ATOM 513 C ALA A 39 -12.634 1.962 3.780 1.00 0.00 C ATOM 514 O ALA A 39 -11.418 2.105 3.631 1.00 0.00 O ATOM 515 CB ALA A 39 -12.598 4.344 4.452 1.00 0.00 C ATOM 0 H ALA A 39 -13.719 3.035 6.270 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.215 3.394 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.076 4.606 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.206 5.188 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.870 4.102 5.226 1.00 0.00 H new ATOM 521 N GLU A 40 -13.267 0.796 3.638 1.00 0.00 N ATOM 522 CA GLU A 40 -12.570 -0.432 3.276 1.00 0.00 C ATOM 523 C GLU A 40 -11.660 -0.224 2.079 1.00 0.00 C ATOM 524 O GLU A 40 -12.103 -0.190 0.929 1.00 0.00 O ATOM 525 CB GLU A 40 -13.569 -1.562 3.008 1.00 0.00 C ATOM 526 CG GLU A 40 -14.762 -1.148 2.160 1.00 0.00 C ATOM 527 CD GLU A 40 -15.691 -2.302 1.862 1.00 0.00 C ATOM 528 OE1 GLU A 40 -15.386 -3.438 2.280 1.00 0.00 O ATOM 529 OE2 GLU A 40 -16.725 -2.072 1.208 1.00 0.00 O ATOM 0 H GLU A 40 -14.272 0.680 3.771 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.943 -0.718 4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.050 -2.381 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.931 -1.947 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.316 -0.364 2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.406 -0.721 1.222 1.00 0.00 H new ATOM 536 N GLY A 41 -10.380 -0.080 2.359 1.00 0.00 N ATOM 537 CA GLY A 41 -9.433 0.123 1.302 1.00 0.00 C ATOM 538 C GLY A 41 -8.617 1.391 1.443 1.00 0.00 C ATOM 539 O GLY A 41 -7.525 1.467 0.892 1.00 0.00 O ATOM 0 H GLY A 41 -9.984 -0.101 3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.756 -0.731 1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.965 0.149 0.351 1.00 0.00 H new ATOM 543 N CYS A 42 -9.074 2.392 2.200 1.00 0.00 N ATOM 544 CA CYS A 42 -8.265 3.575 2.338 1.00 0.00 C ATOM 545 C CYS A 42 -7.671 3.580 3.714 1.00 0.00 C ATOM 546 O CYS A 42 -6.869 4.439 4.073 1.00 0.00 O ATOM 547 CB CYS A 42 -9.018 4.861 1.989 1.00 0.00 C ATOM 548 SG CYS A 42 -8.200 5.772 0.628 1.00 0.00 S ATOM 0 H CYS A 42 -9.962 2.399 2.701 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.457 3.548 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.041 4.618 1.702 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.078 5.499 2.871 1.00 0.00 H new ATOM 553 N ALA A 43 -8.000 2.519 4.439 1.00 0.00 N ATOM 554 CA ALA A 43 -7.434 2.281 5.738 1.00 0.00 C ATOM 555 C ALA A 43 -6.024 1.818 5.477 1.00 0.00 C ATOM 556 O ALA A 43 -5.095 2.087 6.231 1.00 0.00 O ATOM 557 CB ALA A 43 -8.236 1.234 6.485 1.00 0.00 C ATOM 0 H ALA A 43 -8.665 1.808 4.135 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.448 3.173 6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.792 1.067 7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.263 1.580 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.231 0.301 5.921 1.00 0.00 H new ATOM 563 N SER A 44 -5.899 1.160 4.328 1.00 0.00 N ATOM 564 CA SER A 44 -4.638 0.673 3.820 1.00 0.00 C ATOM 565 C SER A 44 -3.706 1.863 3.547 1.00 0.00 C ATOM 566 O SER A 44 -2.487 1.729 3.591 1.00 0.00 O ATOM 567 CB SER A 44 -4.899 -0.149 2.544 1.00 0.00 C ATOM 568 OG SER A 44 -3.691 -0.647 1.991 1.00 0.00 O ATOM 0 H SER A 44 -6.690 0.951 3.719 1.00 0.00 H new ATOM 0 HA SER A 44 -4.151 0.027 4.551 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.565 -0.981 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.409 0.472 1.808 1.00 0.00 H new ATOM 0 HG SER A 44 -3.890 -1.165 1.184 1.00 0.00 H new ATOM 574 N CYS A 45 -4.303 3.044 3.317 1.00 0.00 N ATOM 575 CA CYS A 45 -3.534 4.278 3.092 1.00 0.00 C ATOM 576 C CYS A 45 -3.037 4.776 4.438 1.00 0.00 C ATOM 577 O CYS A 45 -1.909 5.239 4.588 1.00 0.00 O ATOM 578 CB CYS A 45 -4.403 5.370 2.450 1.00 0.00 C ATOM 579 SG CYS A 45 -3.463 6.595 1.470 1.00 0.00 S ATOM 0 H CYS A 45 -5.315 3.170 3.282 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.707 4.061 2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.144 4.897 1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.950 5.892 3.235 1.00 0.00 H new ATOM 584 N PHE A 46 -3.922 4.645 5.416 1.00 0.00 N ATOM 585 CA PHE A 46 -3.665 5.036 6.790 1.00 0.00 C ATOM 586 C PHE A 46 -2.518 4.204 7.378 1.00 0.00 C ATOM 587 O PHE A 46 -1.519 4.751 7.832 1.00 0.00 O ATOM 588 CB PHE A 46 -4.979 4.861 7.575 1.00 0.00 C ATOM 589 CG PHE A 46 -4.858 4.757 9.062 1.00 0.00 C ATOM 590 CD1 PHE A 46 -4.812 5.872 9.899 1.00 0.00 C ATOM 591 CD2 PHE A 46 -4.810 3.509 9.640 1.00 0.00 C ATOM 592 CE1 PHE A 46 -4.718 5.730 11.230 1.00 0.00 C ATOM 593 CE2 PHE A 46 -4.720 3.369 10.984 1.00 0.00 C ATOM 594 CZ PHE A 46 -4.676 4.475 11.785 1.00 0.00 C ATOM 0 H PHE A 46 -4.854 4.257 5.272 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.347 6.077 6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.630 5.704 7.344 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.478 3.964 7.210 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.853 6.862 9.470 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.845 2.630 9.014 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.675 6.603 11.865 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.683 2.383 11.423 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.608 4.362 12.857 1.00 0.00 H new ATOM 604 N CYS A 47 -2.668 2.880 7.378 1.00 0.00 N ATOM 605 CA CYS A 47 -1.641 1.992 7.932 1.00 0.00 C ATOM 606 C CYS A 47 -0.403 1.832 7.047 1.00 0.00 C ATOM 607 O CYS A 47 0.524 1.118 7.425 1.00 0.00 O ATOM 608 CB CYS A 47 -2.230 0.617 8.143 1.00 0.00 C ATOM 609 SG CYS A 47 -1.898 -0.089 9.772 1.00 0.00 S ATOM 0 H CYS A 47 -3.485 2.398 7.003 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.320 2.459 8.863 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.309 0.670 7.995 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.836 -0.055 7.381 1.00 0.00 H new ATOM 614 N GLU A 48 -0.383 2.452 5.877 1.00 0.00 N ATOM 615 CA GLU A 48 0.760 2.316 4.974 1.00 0.00 C ATOM 616 C GLU A 48 2.053 2.774 5.645 1.00 0.00 C ATOM 617 O GLU A 48 3.019 2.016 5.738 1.00 0.00 O ATOM 618 CB GLU A 48 0.526 3.123 3.697 1.00 0.00 C ATOM 619 CG GLU A 48 1.414 2.706 2.539 1.00 0.00 C ATOM 620 CD GLU A 48 1.305 3.643 1.362 1.00 0.00 C ATOM 621 OE1 GLU A 48 0.759 4.750 1.533 1.00 0.00 O ATOM 622 OE2 GLU A 48 1.788 3.290 0.275 1.00 0.00 O ATOM 0 H GLU A 48 -1.134 3.049 5.529 1.00 0.00 H new ATOM 0 HA GLU A 48 0.860 1.261 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.517 3.019 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.693 4.179 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.450 2.669 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.145 1.698 2.223 1.00 0.00 H new ATOM 629 N ASP A 49 2.062 4.014 6.112 1.00 0.00 N ATOM 630 CA ASP A 49 3.236 4.576 6.774 1.00 0.00 C ATOM 631 C ASP A 49 3.317 4.109 8.228 1.00 0.00 C ATOM 632 O ASP A 49 4.368 4.187 8.865 1.00 0.00 O ATOM 633 CB ASP A 49 3.188 6.105 6.709 1.00 0.00 C ATOM 634 CG ASP A 49 4.433 6.752 7.266 1.00 0.00 C ATOM 635 OD1 ASP A 49 5.529 6.488 6.732 1.00 0.00 O ATOM 636 OD2 ASP A 49 4.314 7.524 8.237 1.00 0.00 O ATOM 0 H ASP A 49 1.270 4.653 6.046 1.00 0.00 H new ATOM 0 HA ASP A 49 4.128 4.224 6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.054 6.416 5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.320 6.461 7.263 1.00 0.00 H new ATOM 641 N HIS A 50 2.195 3.623 8.746 1.00 0.00 N ATOM 642 CA HIS A 50 2.122 3.143 10.127 1.00 0.00 C ATOM 643 C HIS A 50 2.238 1.633 10.158 1.00 0.00 C ATOM 644 O HIS A 50 1.599 0.970 10.971 1.00 0.00 O ATOM 645 CB HIS A 50 0.787 3.533 10.768 1.00 0.00 C ATOM 646 CG HIS A 50 0.366 4.944 10.523 1.00 0.00 C ATOM 647 ND1 HIS A 50 -0.917 5.384 10.745 1.00 0.00 N ATOM 648 CD2 HIS A 50 1.057 6.013 10.067 1.00 0.00 C ATOM 649 CE1 HIS A 50 -1.002 6.661 10.432 1.00 0.00 C ATOM 650 NE2 HIS A 50 0.184 7.073 10.017 1.00 0.00 N ATOM 0 H HIS A 50 1.318 3.549 8.230 1.00 0.00 H new ATOM 0 HA HIS A 50 2.942 3.599 10.682 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.011 2.866 10.393 1.00 0.00 H new ATOM 0 HB3 HIS A 50 0.855 3.370 11.844 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.101 6.031 9.793 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.891 7.269 10.503 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.412 8.019 9.711 1.00 0.00 H new ATOM 659 N CYS A 51 3.021 1.095 9.248 1.00 0.00 N ATOM 660 CA CYS A 51 3.186 -0.351 9.142 1.00 0.00 C ATOM 661 C CYS A 51 4.127 -0.908 10.213 1.00 0.00 C ATOM 662 O CYS A 51 5.309 -1.146 9.957 1.00 0.00 O ATOM 663 CB CYS A 51 3.679 -0.725 7.743 1.00 0.00 C ATOM 664 SG CYS A 51 3.700 -2.518 7.415 1.00 0.00 S ATOM 0 H CYS A 51 3.557 1.632 8.567 1.00 0.00 H new ATOM 0 HA CYS A 51 2.209 -0.804 9.311 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.043 -0.239 7.003 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.686 -0.330 7.607 1.00 0.00 H new ATOM 669 N HIS A 52 3.587 -1.119 11.413 1.00 0.00 N ATOM 670 CA HIS A 52 4.351 -1.660 12.530 1.00 0.00 C ATOM 671 C HIS A 52 3.431 -2.349 13.533 1.00 0.00 C ATOM 672 O HIS A 52 2.368 -2.832 13.140 1.00 0.00 O ATOM 673 CB HIS A 52 5.193 -0.561 13.197 1.00 0.00 C ATOM 674 CG HIS A 52 4.453 0.711 13.510 1.00 0.00 C ATOM 675 ND1 HIS A 52 3.440 0.803 14.444 1.00 0.00 N ATOM 676 CD2 HIS A 52 4.601 1.958 12.999 1.00 0.00 C ATOM 677 CE1 HIS A 52 2.996 2.048 14.488 1.00 0.00 C ATOM 678 NE2 HIS A 52 3.685 2.768 13.621 1.00 0.00 N ATOM 0 H HIS A 52 2.612 -0.920 11.635 1.00 0.00 H new ATOM 0 HA HIS A 52 5.038 -2.413 12.144 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.611 -0.957 14.123 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.033 -0.323 12.545 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.310 2.258 12.242 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.204 2.414 15.125 1.00 0.00 H new ATOM 0 HE2 HIS A 52 3.557 3.764 13.443 1.00 0.00 H new ATOM 687 N GLY A 53 3.873 -2.395 14.806 1.00 0.00 N ATOM 688 CA GLY A 53 3.130 -3.029 15.906 1.00 0.00 C ATOM 689 C GLY A 53 1.666 -3.233 15.649 1.00 0.00 C ATOM 690 O GLY A 53 1.225 -4.332 15.299 1.00 0.00 O ATOM 0 H GLY A 53 4.762 -1.989 15.098 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.584 -3.997 16.120 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.244 -2.418 16.801 1.00 0.00 H new ATOM 694 N VAL A 54 0.907 -2.166 15.769 1.00 0.00 N ATOM 695 CA VAL A 54 -0.446 -2.214 15.511 1.00 0.00 C ATOM 696 C VAL A 54 -0.585 -1.655 14.094 1.00 0.00 C ATOM 697 O VAL A 54 -0.292 -0.520 13.763 1.00 0.00 O ATOM 698 CB VAL A 54 -1.234 -1.438 16.578 1.00 0.00 C ATOM 699 CG1 VAL A 54 -1.720 -0.191 15.974 1.00 0.00 C ATOM 700 CG2 VAL A 54 -2.380 -2.249 17.153 1.00 0.00 C ATOM 0 H VAL A 54 1.251 -1.249 16.054 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.866 -3.219 15.561 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.572 -1.219 17.416 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.283 0.377 16.715 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.872 0.402 15.630 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.366 -0.424 15.128 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.905 -1.656 17.902 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.071 -2.519 16.355 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.988 -3.155 17.616 1.00 0.00 H new ATOM 710 N CYS A 55 -0.891 -2.556 13.282 1.00 0.00 N ATOM 711 CA CYS A 55 -1.014 -2.411 11.838 1.00 0.00 C ATOM 712 C CYS A 55 -1.032 -3.828 11.398 1.00 0.00 C ATOM 713 O CYS A 55 -1.779 -4.249 10.518 1.00 0.00 O ATOM 714 CB CYS A 55 0.159 -1.658 11.216 1.00 0.00 C ATOM 715 SG CYS A 55 -0.176 -1.114 9.523 1.00 0.00 S ATOM 0 H CYS A 55 -1.087 -3.508 13.591 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.886 -1.829 11.540 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.395 -0.790 11.832 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.040 -2.300 11.219 1.00 0.00 H new ATOM 720 N LYS A 56 -0.264 -4.577 12.177 1.00 0.00 N ATOM 721 CA LYS A 56 -0.218 -6.011 12.064 1.00 0.00 C ATOM 722 C LYS A 56 -1.403 -6.493 12.879 1.00 0.00 C ATOM 723 O LYS A 56 -2.071 -7.465 12.540 1.00 0.00 O ATOM 724 CB LYS A 56 1.091 -6.574 12.627 1.00 0.00 C ATOM 725 CG LYS A 56 1.242 -8.079 12.443 1.00 0.00 C ATOM 726 CD LYS A 56 2.391 -8.636 13.261 1.00 0.00 C ATOM 727 CE LYS A 56 2.086 -8.624 14.754 1.00 0.00 C ATOM 728 NZ LYS A 56 0.897 -9.462 15.093 1.00 0.00 N ATOM 0 H LYS A 56 0.343 -4.197 12.904 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.261 -6.340 11.026 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.929 -6.072 12.144 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.149 -6.340 13.690 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.316 -8.575 12.733 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.406 -8.301 11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.602 -9.657 12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.290 -8.050 13.070 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.954 -8.988 15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.910 -7.599 15.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.902 -9.676 16.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.028 -8.945 14.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.932 -10.350 14.552 1.00 0.00 H new ATOM 742 N ASP A 57 -1.683 -5.719 13.942 1.00 0.00 N ATOM 743 CA ASP A 57 -2.816 -5.964 14.818 1.00 0.00 C ATOM 744 C ASP A 57 -4.044 -5.351 14.174 1.00 0.00 C ATOM 745 O ASP A 57 -5.149 -5.889 14.246 1.00 0.00 O ATOM 746 CB ASP A 57 -2.589 -5.315 16.180 1.00 0.00 C ATOM 747 CG ASP A 57 -3.003 -6.211 17.322 1.00 0.00 C ATOM 748 OD1 ASP A 57 -4.193 -6.579 17.385 1.00 0.00 O ATOM 749 OD2 ASP A 57 -2.141 -6.548 18.156 1.00 0.00 O ATOM 0 H ASP A 57 -1.123 -4.909 14.208 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.943 -7.037 14.963 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.535 -5.060 16.286 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.150 -4.382 16.233 1.00 0.00 H new ATOM 754 N LEU A 58 -3.805 -4.221 13.508 1.00 0.00 N ATOM 755 CA LEU A 58 -4.816 -3.491 12.787 1.00 0.00 C ATOM 756 C LEU A 58 -5.351 -4.393 11.663 1.00 0.00 C ATOM 757 O LEU A 58 -6.535 -4.366 11.335 1.00 0.00 O ATOM 758 CB LEU A 58 -4.151 -2.218 12.257 1.00 0.00 C ATOM 759 CG LEU A 58 -4.615 -0.888 12.857 1.00 0.00 C ATOM 760 CD1 LEU A 58 -4.279 -0.831 14.324 1.00 0.00 C ATOM 761 CD2 LEU A 58 -3.962 0.272 12.141 1.00 0.00 C ATOM 0 H LEU A 58 -2.882 -3.790 13.461 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.666 -3.209 13.409 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.076 -2.305 12.418 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.310 -2.177 11.179 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.696 -0.817 12.735 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.615 0.120 14.737 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.778 -1.649 14.844 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.201 -0.923 14.454 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.303 1.209 12.580 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.879 0.198 12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.232 0.247 11.085 1.00 0.00 H new ATOM 773 N HIS A 59 -4.440 -5.222 11.137 1.00 0.00 N ATOM 774 CA HIS A 59 -4.712 -6.217 10.098 1.00 0.00 C ATOM 775 C HIS A 59 -4.737 -5.608 8.708 1.00 0.00 C ATOM 776 O HIS A 59 -5.659 -5.860 7.930 1.00 0.00 O ATOM 777 CB HIS A 59 -6.015 -6.977 10.373 1.00 0.00 C ATOM 778 CG HIS A 59 -5.902 -8.451 10.147 1.00 0.00 C ATOM 779 ND1 HIS A 59 -5.105 -9.270 10.920 1.00 0.00 N ATOM 780 CD2 HIS A 59 -6.484 -9.256 9.226 1.00 0.00 C ATOM 781 CE1 HIS A 59 -5.200 -10.512 10.483 1.00 0.00 C ATOM 782 NE2 HIS A 59 -6.029 -10.530 9.456 1.00 0.00 N ATOM 0 H HIS A 59 -3.464 -5.217 11.434 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.886 -6.927 10.131 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -6.321 -6.797 11.404 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.802 -6.578 9.733 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.176 -8.952 8.455 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.687 -11.368 10.896 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.289 -11.358 8.920 1.00 0.00 H new ATOM 791 N LEU A 60 -3.715 -4.820 8.391 1.00 0.00 N ATOM 792 CA LEU A 60 -3.620 -4.200 7.079 1.00 0.00 C ATOM 793 C LEU A 60 -2.349 -4.637 6.365 1.00 0.00 C ATOM 794 O LEU A 60 -2.409 -5.260 5.308 1.00 0.00 O ATOM 795 CB LEU A 60 -3.655 -2.674 7.182 1.00 0.00 C ATOM 796 CG LEU A 60 -4.889 -2.094 7.870 1.00 0.00 C ATOM 797 CD1 LEU A 60 -5.003 -0.624 7.602 1.00 0.00 C ATOM 798 CD2 LEU A 60 -6.146 -2.809 7.425 1.00 0.00 C ATOM 0 H LEU A 60 -2.946 -4.598 9.023 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.484 -4.528 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.769 -2.342 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.590 -2.257 6.177 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.774 -2.244 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.889 -0.231 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.117 -0.115 7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.087 -0.455 6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.009 -2.376 7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.264 -2.700 6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.071 -3.867 7.677 1.00 0.00 H new ATOM 810 N CYS A 61 -1.199 -4.307 6.939 1.00 0.00 N ATOM 811 CA CYS A 61 0.074 -4.669 6.333 1.00 0.00 C ATOM 812 C CYS A 61 0.696 -5.850 7.066 1.00 0.00 C ATOM 813 O CYS A 61 0.285 -6.120 8.211 1.00 0.00 O ATOM 814 CB CYS A 61 1.032 -3.471 6.330 1.00 0.00 C ATOM 815 SG CYS A 61 1.833 -3.130 7.931 1.00 0.00 S ATOM 816 OXT CYS A 61 1.577 -6.510 6.483 1.00 0.00 O ATOM 0 H CYS A 61 -1.122 -3.793 7.817 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.109 -4.962 5.299 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.806 -3.644 5.582 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.481 -2.584 6.019 1.00 0.00 H new TER 821 CYS A 61