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= 1.23 (180deg=1.16) USER MOD Single : A 2 MET CE :methyl 165:sc= -0.0757 (180deg=-0.477) USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -0.0966 (180deg=-0.594) USER MOD Single : A 6 SER OG : rot 180:sc= -0.872 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= -0.0354 (180deg=-0.255) USER MOD Single : A 44 SER OG : rot 180:sc= 0.162 USER MOD Single : A 50 HIS : no HD1:sc= -8.29! C(o=-8.3!,f=-6.3!) USER MOD Single : A 52 HIS : no HD1:sc= -0.785 K(o=-0.79,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.00291 X(o=0.0029,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.453 2.557 -0.292 1.00 0.00 N ATOM 2 CA ALA A 1 1.389 1.529 -0.374 1.00 0.00 C ATOM 3 C ALA A 1 0.386 1.877 -1.460 1.00 0.00 C ATOM 4 O ALA A 1 0.041 3.043 -1.647 1.00 0.00 O ATOM 5 CB ALA A 1 0.669 1.395 0.957 1.00 0.00 C ATOM 0 H1 ALA A 1 3.089 2.336 0.500 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.995 2.567 -1.179 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.022 3.491 -0.139 1.00 0.00 H new ATOM 0 HA ALA A 1 1.863 0.579 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.108 0.635 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.382 1.104 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.216 2.350 1.224 1.00 0.00 H new ATOM 13 N MET A 2 -0.093 0.859 -2.160 1.00 0.00 N ATOM 14 CA MET A 2 -1.073 1.051 -3.210 1.00 0.00 C ATOM 15 C MET A 2 -2.469 1.042 -2.590 1.00 0.00 C ATOM 16 O MET A 2 -2.944 2.068 -2.101 1.00 0.00 O ATOM 17 CB MET A 2 -0.908 -0.040 -4.278 1.00 0.00 C ATOM 18 CG MET A 2 -1.792 0.139 -5.502 1.00 0.00 C ATOM 19 SD MET A 2 -1.322 -0.960 -6.858 1.00 0.00 S ATOM 20 CE MET A 2 -1.268 -2.546 -6.025 1.00 0.00 C ATOM 0 H MET A 2 0.185 -0.112 -2.016 1.00 0.00 H new ATOM 0 HA MET A 2 -0.926 2.012 -3.703 1.00 0.00 H new ATOM 0 HB2 MET A 2 0.134 -0.063 -4.598 1.00 0.00 H new ATOM 0 HB3 MET A 2 -1.125 -1.008 -3.827 1.00 0.00 H new ATOM 0 HG2 MET A 2 -2.830 -0.050 -5.228 1.00 0.00 H new ATOM 0 HG3 MET A 2 -1.735 1.174 -5.840 1.00 0.00 H new ATOM 0 HE1 MET A 2 -1.257 -3.346 -6.766 1.00 0.00 H new ATOM 0 HE2 MET A 2 -0.368 -2.605 -5.413 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.147 -2.653 -5.389 1.00 0.00 H new ATOM 30 N GLY A 3 -3.111 -0.115 -2.568 1.00 0.00 N ATOM 31 CA GLY A 3 -4.421 -0.195 -1.962 1.00 0.00 C ATOM 32 C GLY A 3 -5.510 0.382 -2.815 1.00 0.00 C ATOM 33 O GLY A 3 -5.348 0.598 -4.015 1.00 0.00 O ATOM 0 H GLY A 3 -2.754 -0.989 -2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.651 -1.239 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.403 0.328 -1.006 1.00 0.00 H new ATOM 37 N LYS A 4 -6.615 0.653 -2.156 1.00 0.00 N ATOM 38 CA LYS A 4 -7.784 1.246 -2.765 1.00 0.00 C ATOM 39 C LYS A 4 -7.531 2.733 -2.939 1.00 0.00 C ATOM 40 O LYS A 4 -8.377 3.504 -3.393 1.00 0.00 O ATOM 41 CB LYS A 4 -8.935 1.046 -1.799 1.00 0.00 C ATOM 42 CG LYS A 4 -10.320 1.204 -2.407 1.00 0.00 C ATOM 43 CD LYS A 4 -10.630 0.106 -3.415 1.00 0.00 C ATOM 44 CE LYS A 4 -12.009 0.291 -4.024 1.00 0.00 C ATOM 45 NZ LYS A 4 -13.037 0.459 -2.969 1.00 0.00 N ATOM 0 H LYS A 4 -6.728 0.463 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.006 0.798 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.857 0.049 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.831 1.758 -0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.068 1.189 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.393 2.176 -2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.878 0.110 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.573 -0.866 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.008 1.163 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.256 -0.571 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.981 0.296 -3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.866 -0.226 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.987 1.425 -2.586 1.00 0.00 H new ATOM 59 N CYS A 5 -6.354 3.109 -2.499 1.00 0.00 N ATOM 60 CA CYS A 5 -5.902 4.467 -2.493 1.00 0.00 C ATOM 61 C CYS A 5 -4.934 4.753 -3.642 1.00 0.00 C ATOM 62 O CYS A 5 -3.722 4.599 -3.487 1.00 0.00 O ATOM 63 CB CYS A 5 -5.210 4.679 -1.155 1.00 0.00 C ATOM 64 SG CYS A 5 -6.215 4.173 0.294 1.00 0.00 S ATOM 0 H CYS A 5 -5.668 2.453 -2.125 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.744 5.146 -2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -4.275 4.119 -1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.951 5.733 -1.054 1.00 0.00 H new ATOM 69 N SER A 6 -5.467 5.194 -4.780 1.00 0.00 N ATOM 70 CA SER A 6 -4.638 5.534 -5.935 1.00 0.00 C ATOM 71 C SER A 6 -3.872 6.829 -5.668 1.00 0.00 C ATOM 72 O SER A 6 -3.948 7.372 -4.573 1.00 0.00 O ATOM 73 CB SER A 6 -5.498 5.660 -7.200 1.00 0.00 C ATOM 74 OG SER A 6 -6.545 6.604 -7.033 1.00 0.00 O ATOM 0 H SER A 6 -6.468 5.324 -4.927 1.00 0.00 H new ATOM 0 HA SER A 6 -3.918 4.732 -6.097 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.869 5.959 -8.039 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.922 4.687 -7.450 1.00 0.00 H new ATOM 0 HG SER A 6 -7.070 6.659 -7.858 1.00 0.00 H new ATOM 80 N VAL A 7 -3.131 7.305 -6.663 1.00 0.00 N ATOM 81 CA VAL A 7 -2.336 8.532 -6.537 1.00 0.00 C ATOM 82 C VAL A 7 -3.136 9.692 -5.933 1.00 0.00 C ATOM 83 O VAL A 7 -2.803 10.200 -4.860 1.00 0.00 O ATOM 84 CB VAL A 7 -1.747 8.939 -7.917 1.00 0.00 C ATOM 85 CG1 VAL A 7 -2.810 8.971 -9.010 1.00 0.00 C ATOM 86 CG2 VAL A 7 -1.009 10.269 -7.841 1.00 0.00 C ATOM 0 H VAL A 7 -3.061 6.858 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.521 8.315 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.026 8.167 -8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.351 9.260 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.257 7.982 -9.111 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.582 9.693 -8.745 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.611 10.521 -8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.698 11.049 -7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.189 10.190 -7.127 1.00 0.00 H new ATOM 96 N LEU A 8 -4.180 10.102 -6.627 1.00 0.00 N ATOM 97 CA LEU A 8 -5.025 11.209 -6.162 1.00 0.00 C ATOM 98 C LEU A 8 -5.815 10.807 -4.916 1.00 0.00 C ATOM 99 O LEU A 8 -6.099 11.636 -4.054 1.00 0.00 O ATOM 100 CB LEU A 8 -5.974 11.699 -7.272 1.00 0.00 C ATOM 101 CG LEU A 8 -7.129 10.757 -7.657 1.00 0.00 C ATOM 102 CD1 LEU A 8 -8.188 11.515 -8.443 1.00 0.00 C ATOM 103 CD2 LEU A 8 -6.632 9.568 -8.472 1.00 0.00 C ATOM 0 H LEU A 8 -4.471 9.692 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.366 12.036 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.401 12.652 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.381 11.894 -8.166 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.567 10.376 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.999 10.837 -8.709 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.581 12.329 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.744 11.923 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.474 8.924 -8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.159 9.926 -9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.907 9.003 -7.886 1.00 0.00 H new ATOM 115 N LYS A 9 -6.159 9.527 -4.817 1.00 0.00 N ATOM 116 CA LYS A 9 -6.878 9.008 -3.712 1.00 0.00 C ATOM 117 C LYS A 9 -6.006 9.010 -2.450 1.00 0.00 C ATOM 118 O LYS A 9 -6.516 8.963 -1.332 1.00 0.00 O ATOM 119 CB LYS A 9 -7.265 7.609 -4.116 1.00 0.00 C ATOM 120 CG LYS A 9 -8.491 7.104 -3.457 1.00 0.00 C ATOM 121 CD LYS A 9 -9.748 7.750 -4.016 1.00 0.00 C ATOM 122 CE LYS A 9 -9.979 7.327 -5.463 1.00 0.00 C ATOM 123 NZ LYS A 9 -11.314 7.732 -5.981 1.00 0.00 N ATOM 0 H LYS A 9 -5.932 8.829 -5.525 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.755 9.609 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.409 7.582 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.439 6.935 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.552 6.023 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.431 7.295 -2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.608 7.468 -3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.660 8.835 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.203 7.764 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.879 6.244 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.414 7.418 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.059 7.294 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.404 8.767 -5.937 1.00 0.00 H new ATOM 137 N LYS A 10 -4.684 9.092 -2.643 1.00 0.00 N ATOM 138 CA LYS A 10 -3.735 9.133 -1.530 1.00 0.00 C ATOM 139 C LYS A 10 -3.794 10.488 -0.847 1.00 0.00 C ATOM 140 O LYS A 10 -3.408 10.636 0.309 1.00 0.00 O ATOM 141 CB LYS A 10 -2.302 8.868 -2.004 1.00 0.00 C ATOM 142 CG LYS A 10 -1.957 7.401 -2.196 1.00 0.00 C ATOM 143 CD LYS A 10 -0.448 7.190 -2.218 1.00 0.00 C ATOM 144 CE LYS A 10 0.248 8.130 -3.197 1.00 0.00 C ATOM 145 NZ LYS A 10 1.722 8.061 -3.055 1.00 0.00 N ATOM 0 H LYS A 10 -4.248 9.131 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.016 8.349 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.143 9.391 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.609 9.298 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.398 6.812 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.391 7.041 -3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.046 7.347 -1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.231 6.157 -2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.034 7.869 -4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.089 9.152 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.167 8.711 -3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.991 8.333 -2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.044 7.090 -3.244 1.00 0.00 H new ATOM 159 N VAL A 11 -4.296 11.473 -1.566 1.00 0.00 N ATOM 160 CA VAL A 11 -4.428 12.802 -1.030 1.00 0.00 C ATOM 161 C VAL A 11 -5.702 12.854 -0.196 1.00 0.00 C ATOM 162 O VAL A 11 -5.863 13.684 0.705 1.00 0.00 O ATOM 163 CB VAL A 11 -4.471 13.832 -2.188 1.00 0.00 C ATOM 164 CG1 VAL A 11 -5.865 14.399 -2.423 1.00 0.00 C ATOM 165 CG2 VAL A 11 -3.464 14.936 -1.961 1.00 0.00 C ATOM 0 H VAL A 11 -4.619 11.371 -2.528 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.575 13.051 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.200 13.295 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.833 15.114 -3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.550 13.589 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.211 14.900 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.512 15.647 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.691 15.449 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.462 14.509 -1.907 1.00 0.00 H new ATOM 175 N ALA A 12 -6.609 11.947 -0.533 1.00 0.00 N ATOM 176 CA ALA A 12 -7.901 11.851 0.129 1.00 0.00 C ATOM 177 C ALA A 12 -7.954 10.776 1.224 1.00 0.00 C ATOM 178 O ALA A 12 -8.905 10.755 1.998 1.00 0.00 O ATOM 179 CB ALA A 12 -8.994 11.599 -0.900 1.00 0.00 C ATOM 0 H ALA A 12 -6.469 11.258 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.063 12.806 0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.958 11.528 -0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.017 12.421 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.790 10.666 -1.426 1.00 0.00 H new ATOM 185 N CYS A 13 -6.960 9.877 1.312 1.00 0.00 N ATOM 186 CA CYS A 13 -7.005 8.847 2.367 1.00 0.00 C ATOM 187 C CYS A 13 -6.738 9.459 3.714 1.00 0.00 C ATOM 188 O CYS A 13 -7.342 9.060 4.699 1.00 0.00 O ATOM 189 CB CYS A 13 -6.026 7.688 2.163 1.00 0.00 C ATOM 190 SG CYS A 13 -4.405 8.171 1.494 1.00 0.00 S ATOM 0 H CYS A 13 -6.148 9.838 0.696 1.00 0.00 H new ATOM 0 HA CYS A 13 -8.012 8.433 2.311 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.874 7.186 3.119 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.480 6.961 1.489 1.00 0.00 H new ATOM 195 N ALA A 14 -5.850 10.440 3.752 1.00 0.00 N ATOM 196 CA ALA A 14 -5.534 11.112 4.996 1.00 0.00 C ATOM 197 C ALA A 14 -6.759 11.849 5.498 1.00 0.00 C ATOM 198 O ALA A 14 -6.943 12.013 6.698 1.00 0.00 O ATOM 199 CB ALA A 14 -4.364 12.065 4.812 1.00 0.00 C ATOM 0 H ALA A 14 -5.340 10.785 2.939 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.240 10.369 5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.144 12.558 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.488 11.506 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.620 12.814 4.063 1.00 0.00 H new ATOM 205 N ALA A 15 -7.609 12.254 4.558 1.00 0.00 N ATOM 206 CA ALA A 15 -8.850 12.933 4.876 1.00 0.00 C ATOM 207 C ALA A 15 -9.903 11.901 5.256 1.00 0.00 C ATOM 208 O ALA A 15 -10.802 12.169 6.052 1.00 0.00 O ATOM 209 CB ALA A 15 -9.317 13.768 3.689 1.00 0.00 C ATOM 0 H ALA A 15 -7.453 12.119 3.559 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.690 13.606 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.250 14.272 3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.558 14.511 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.478 13.119 2.828 1.00 0.00 H new ATOM 215 N ALA A 16 -9.756 10.705 4.689 1.00 0.00 N ATOM 216 CA ALA A 16 -10.659 9.601 4.964 1.00 0.00 C ATOM 217 C ALA A 16 -10.457 9.118 6.388 1.00 0.00 C ATOM 218 O ALA A 16 -11.392 9.124 7.187 1.00 0.00 O ATOM 219 CB ALA A 16 -10.445 8.465 3.973 1.00 0.00 C ATOM 0 H ALA A 16 -9.010 10.480 4.030 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.685 9.950 4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.133 7.650 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.630 8.825 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.419 8.105 4.048 1.00 0.00 H new ATOM 225 N ILE A 17 -9.228 8.716 6.719 1.00 0.00 N ATOM 226 CA ILE A 17 -8.946 8.264 8.055 1.00 0.00 C ATOM 227 C ILE A 17 -9.006 9.421 9.058 1.00 0.00 C ATOM 228 O ILE A 17 -9.217 9.204 10.249 1.00 0.00 O ATOM 229 CB ILE A 17 -7.613 7.466 8.165 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.040 7.563 9.560 1.00 0.00 C ATOM 231 CG2 ILE A 17 -6.523 7.877 7.200 1.00 0.00 C ATOM 232 CD1 ILE A 17 -5.854 8.506 9.641 1.00 0.00 C ATOM 0 H ILE A 17 -8.432 8.699 6.081 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.734 7.557 8.314 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.906 6.448 7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.817 7.903 10.245 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.734 6.571 9.893 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.641 7.258 7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.875 7.746 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.267 8.924 7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.483 8.537 10.665 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.063 8.154 8.979 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.163 9.506 9.337 1.00 0.00 H new ATOM 244 N ALA A 18 -8.855 10.647 8.564 1.00 0.00 N ATOM 245 CA ALA A 18 -8.924 11.839 9.417 1.00 0.00 C ATOM 246 C ALA A 18 -10.195 11.842 10.256 1.00 0.00 C ATOM 247 O ALA A 18 -10.176 12.253 11.411 1.00 0.00 O ATOM 248 CB ALA A 18 -8.865 13.112 8.589 1.00 0.00 C ATOM 0 H ALA A 18 -8.684 10.845 7.578 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.060 11.808 10.081 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.918 13.978 9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.930 13.139 8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.704 13.133 7.894 1.00 0.00 H new ATOM 254 N GLY A 19 -11.297 11.378 9.676 1.00 0.00 N ATOM 255 CA GLY A 19 -12.553 11.334 10.403 1.00 0.00 C ATOM 256 C GLY A 19 -12.549 10.279 11.495 1.00 0.00 C ATOM 257 O GLY A 19 -13.306 10.373 12.460 1.00 0.00 O ATOM 0 H GLY A 19 -11.343 11.032 8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.749 12.311 10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.367 11.130 9.707 1.00 0.00 H new ATOM 261 N ALA A 20 -11.692 9.278 11.346 1.00 0.00 N ATOM 262 CA ALA A 20 -11.587 8.213 12.327 1.00 0.00 C ATOM 263 C ALA A 20 -10.585 8.566 13.408 1.00 0.00 C ATOM 264 O ALA A 20 -10.826 8.316 14.584 1.00 0.00 O ATOM 265 CB ALA A 20 -11.214 6.909 11.667 1.00 0.00 C ATOM 0 H ALA A 20 -11.059 9.184 10.552 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.564 8.094 12.795 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.141 6.127 12.422 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.977 6.639 10.937 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.253 7.018 11.164 1.00 0.00 H new ATOM 271 N VAL A 21 -9.469 9.170 13.024 1.00 0.00 N ATOM 272 CA VAL A 21 -8.488 9.573 14.011 1.00 0.00 C ATOM 273 C VAL A 21 -9.092 10.664 14.857 1.00 0.00 C ATOM 274 O VAL A 21 -8.893 10.710 16.054 1.00 0.00 O ATOM 275 CB VAL A 21 -7.175 10.084 13.410 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.488 9.001 12.619 1.00 0.00 C ATOM 277 CG2 VAL A 21 -7.383 11.317 12.561 1.00 0.00 C ATOM 0 H VAL A 21 -9.227 9.386 12.057 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.237 8.687 14.594 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.530 10.367 14.241 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.558 9.389 12.203 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.269 8.157 13.272 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.139 8.673 11.809 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.426 11.645 12.155 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.064 11.084 11.742 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.809 12.112 13.173 1.00 0.00 H new ATOM 287 N ALA A 22 -9.861 11.520 14.200 1.00 0.00 N ATOM 288 CA ALA A 22 -10.561 12.619 14.855 1.00 0.00 C ATOM 289 C ALA A 22 -11.491 12.071 15.921 1.00 0.00 C ATOM 290 O ALA A 22 -11.818 12.758 16.889 1.00 0.00 O ATOM 291 CB ALA A 22 -11.356 13.430 13.841 1.00 0.00 C ATOM 0 H ALA A 22 -10.019 11.473 13.193 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.824 13.274 15.319 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.871 14.245 14.350 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.679 13.840 13.092 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.088 12.786 13.354 1.00 0.00 H new ATOM 297 N ALA A 23 -11.902 10.815 15.741 1.00 0.00 N ATOM 298 CA ALA A 23 -12.772 10.158 16.694 1.00 0.00 C ATOM 299 C ALA A 23 -12.016 9.874 17.984 1.00 0.00 C ATOM 300 O ALA A 23 -12.589 9.941 19.069 1.00 0.00 O ATOM 301 CB ALA A 23 -13.337 8.867 16.111 1.00 0.00 C ATOM 0 H ALA A 23 -11.641 10.239 14.941 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.607 10.823 16.915 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.988 8.391 16.844 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.909 9.094 15.211 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.518 8.192 15.860 1.00 0.00 H new ATOM 307 N CYS A 24 -10.724 9.556 17.868 1.00 0.00 N ATOM 308 CA CYS A 24 -9.914 9.264 19.048 1.00 0.00 C ATOM 309 C CYS A 24 -9.060 10.463 19.473 1.00 0.00 C ATOM 310 O CYS A 24 -8.843 10.680 20.663 1.00 0.00 O ATOM 311 CB CYS A 24 -9.022 8.054 18.788 1.00 0.00 C ATOM 312 SG CYS A 24 -9.195 6.736 20.035 1.00 0.00 S ATOM 0 H CYS A 24 -10.224 9.495 16.981 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.600 9.043 19.866 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.256 7.645 17.805 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.982 8.380 18.758 1.00 0.00 H new ATOM 317 N GLY A 25 -8.566 11.234 18.508 1.00 0.00 N ATOM 318 CA GLY A 25 -7.741 12.380 18.822 1.00 0.00 C ATOM 319 C GLY A 25 -6.346 12.257 18.243 1.00 0.00 C ATOM 320 O GLY A 25 -5.356 12.311 18.970 1.00 0.00 O ATOM 0 H GLY A 25 -8.725 11.082 17.512 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.214 13.283 18.436 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.675 12.492 19.904 1.00 0.00 H new ATOM 324 N GLY A 26 -6.270 12.075 16.932 1.00 0.00 N ATOM 325 CA GLY A 26 -4.985 11.928 16.276 1.00 0.00 C ATOM 326 C GLY A 26 -4.788 10.520 15.765 1.00 0.00 C ATOM 327 O GLY A 26 -5.680 9.684 15.915 1.00 0.00 O ATOM 0 H GLY A 26 -7.077 12.026 16.309 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.915 12.631 15.446 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.187 12.179 16.975 1.00 0.00 H new ATOM 331 N ILE A 27 -3.634 10.251 15.158 1.00 0.00 N ATOM 332 CA ILE A 27 -3.335 8.925 14.622 1.00 0.00 C ATOM 333 C ILE A 27 -3.237 7.869 15.733 1.00 0.00 C ATOM 334 O ILE A 27 -2.150 7.497 16.189 1.00 0.00 O ATOM 335 CB ILE A 27 -2.033 8.931 13.780 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.257 9.701 12.483 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.589 7.514 13.434 1.00 0.00 C ATOM 338 CD1 ILE A 27 -3.059 8.910 11.468 1.00 0.00 C ATOM 0 H ILE A 27 -2.889 10.935 15.025 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.167 8.658 13.970 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.256 9.409 14.377 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.776 10.634 12.703 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.292 9.967 12.051 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.674 7.553 12.843 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.405 6.956 14.352 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.371 7.018 12.859 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.189 9.505 10.564 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.529 7.989 11.224 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.036 8.667 11.886 1.00 0.00 H new ATOM 350 N ASP A 28 -4.386 7.343 16.107 1.00 0.00 N ATOM 351 CA ASP A 28 -4.464 6.264 17.066 1.00 0.00 C ATOM 352 C ASP A 28 -4.790 5.085 16.197 1.00 0.00 C ATOM 353 O ASP A 28 -5.950 4.725 16.045 1.00 0.00 O ATOM 354 CB ASP A 28 -5.561 6.469 18.119 1.00 0.00 C ATOM 355 CG ASP A 28 -5.379 5.561 19.319 1.00 0.00 C ATOM 356 OD1 ASP A 28 -4.367 4.839 19.372 1.00 0.00 O ATOM 357 OD2 ASP A 28 -6.250 5.570 20.208 1.00 0.00 O ATOM 0 H ASP A 28 -5.291 7.653 15.753 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.547 6.166 17.647 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.557 7.508 18.448 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.535 6.281 17.668 1.00 0.00 H new ATOM 362 N LEU A 29 -3.765 4.569 15.539 1.00 0.00 N ATOM 363 CA LEU A 29 -3.907 3.505 14.567 1.00 0.00 C ATOM 364 C LEU A 29 -4.819 2.344 15.038 1.00 0.00 C ATOM 365 O LEU A 29 -5.629 1.870 14.240 1.00 0.00 O ATOM 366 CB LEU A 29 -2.491 3.133 14.053 1.00 0.00 C ATOM 367 CG LEU A 29 -2.329 2.101 12.932 1.00 0.00 C ATOM 368 CD1 LEU A 29 -0.904 2.149 12.399 1.00 0.00 C ATOM 369 CD2 LEU A 29 -2.626 0.709 13.402 1.00 0.00 C ATOM 0 H LEU A 29 -2.803 4.882 15.668 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.474 3.847 13.701 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.016 4.054 13.716 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.919 2.774 14.909 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.043 2.353 12.148 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.789 1.415 11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.695 3.145 12.008 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.206 1.922 13.205 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.499 0.011 12.575 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.943 0.444 14.209 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.653 0.659 13.764 1.00 0.00 H new ATOM 381 N PRO A 30 -4.784 1.892 16.322 1.00 0.00 N ATOM 382 CA PRO A 30 -5.702 0.835 16.778 1.00 0.00 C ATOM 383 C PRO A 30 -7.132 1.358 16.975 1.00 0.00 C ATOM 384 O PRO A 30 -8.076 0.582 17.128 1.00 0.00 O ATOM 385 CB PRO A 30 -5.122 0.410 18.127 1.00 0.00 C ATOM 386 CG PRO A 30 -4.397 1.610 18.634 1.00 0.00 C ATOM 387 CD PRO A 30 -3.916 2.372 17.424 1.00 0.00 C ATOM 0 HA PRO A 30 -5.776 0.026 16.051 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.910 0.105 18.816 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.448 -0.440 18.016 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.054 2.229 19.245 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.558 1.317 19.265 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.013 3.448 17.567 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.865 2.171 17.219 1.00 0.00 H new ATOM 395 N CYS A 31 -7.272 2.680 17.005 1.00 0.00 N ATOM 396 CA CYS A 31 -8.560 3.330 17.223 1.00 0.00 C ATOM 397 C CYS A 31 -9.266 3.700 15.922 1.00 0.00 C ATOM 398 O CYS A 31 -10.456 3.433 15.761 1.00 0.00 O ATOM 399 CB CYS A 31 -8.371 4.619 18.025 1.00 0.00 C ATOM 400 SG CYS A 31 -9.841 5.135 18.970 1.00 0.00 S ATOM 0 H CYS A 31 -6.496 3.330 16.879 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.173 2.608 17.762 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.538 4.485 18.715 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.093 5.421 17.341 1.00 0.00 H new ATOM 405 N VAL A 32 -8.549 4.373 15.018 1.00 0.00 N ATOM 406 CA VAL A 32 -9.148 4.837 13.758 1.00 0.00 C ATOM 407 C VAL A 32 -9.648 3.684 12.902 1.00 0.00 C ATOM 408 O VAL A 32 -10.611 3.846 12.165 1.00 0.00 O ATOM 409 CB VAL A 32 -8.178 5.758 12.947 1.00 0.00 C ATOM 410 CG1 VAL A 32 -7.044 6.218 13.835 1.00 0.00 C ATOM 411 CG2 VAL A 32 -7.663 5.116 11.670 1.00 0.00 C ATOM 0 H VAL A 32 -7.563 4.608 15.130 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.014 5.438 14.036 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.753 6.625 12.622 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.372 6.859 13.264 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.447 6.776 14.680 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.494 5.351 14.202 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.996 5.809 11.157 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.119 4.204 11.915 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.504 4.874 11.020 1.00 0.00 H new ATOM 421 N LEU A 33 -9.021 2.517 12.994 1.00 0.00 N ATOM 422 CA LEU A 33 -9.449 1.390 12.199 1.00 0.00 C ATOM 423 C LEU A 33 -10.694 0.709 12.764 1.00 0.00 C ATOM 424 O LEU A 33 -10.943 -0.465 12.515 1.00 0.00 O ATOM 425 CB LEU A 33 -8.318 0.403 12.041 1.00 0.00 C ATOM 426 CG LEU A 33 -8.152 -0.085 10.614 1.00 0.00 C ATOM 427 CD1 LEU A 33 -6.775 0.252 10.090 1.00 0.00 C ATOM 428 CD2 LEU A 33 -8.415 -1.565 10.552 1.00 0.00 C ATOM 0 H LEU A 33 -8.225 2.335 13.605 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.726 1.774 11.217 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.389 0.868 12.371 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.496 -0.452 12.693 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.876 0.422 9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.678 -0.107 9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.632 1.332 10.111 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.021 -0.226 10.715 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.295 -1.913 9.526 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.709 -2.087 11.197 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.432 -1.768 10.888 1.00 0.00 H new ATOM 440 N ALA A 34 -11.501 1.476 13.468 1.00 0.00 N ATOM 441 CA ALA A 34 -12.751 0.982 13.998 1.00 0.00 C ATOM 442 C ALA A 34 -13.857 1.632 13.189 1.00 0.00 C ATOM 443 O ALA A 34 -14.862 1.012 12.852 1.00 0.00 O ATOM 444 CB ALA A 34 -12.886 1.289 15.484 1.00 0.00 C ATOM 0 H ALA A 34 -11.309 2.454 13.687 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.804 -0.103 13.914 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.838 0.904 15.850 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.069 0.816 16.029 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.848 2.367 15.638 1.00 0.00 H new ATOM 450 N ALA A 35 -13.613 2.890 12.841 1.00 0.00 N ATOM 451 CA ALA A 35 -14.527 3.666 12.026 1.00 0.00 C ATOM 452 C ALA A 35 -14.002 3.740 10.602 1.00 0.00 C ATOM 453 O ALA A 35 -14.761 3.631 9.641 1.00 0.00 O ATOM 454 CB ALA A 35 -14.694 5.062 12.592 1.00 0.00 C ATOM 0 H ALA A 35 -12.773 3.397 13.119 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.501 3.177 12.028 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.384 5.628 11.966 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -15.092 4.999 13.605 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.727 5.564 12.613 1.00 0.00 H new ATOM 460 N LEU A 36 -12.683 3.906 10.472 1.00 0.00 N ATOM 461 CA LEU A 36 -12.055 3.969 9.169 1.00 0.00 C ATOM 462 C LEU A 36 -12.069 2.612 8.508 1.00 0.00 C ATOM 463 O LEU A 36 -11.914 2.495 7.296 1.00 0.00 O ATOM 464 CB LEU A 36 -10.597 4.413 9.255 1.00 0.00 C ATOM 465 CG LEU A 36 -9.856 4.211 7.942 1.00 0.00 C ATOM 466 CD1 LEU A 36 -10.280 5.251 6.958 1.00 0.00 C ATOM 467 CD2 LEU A 36 -8.362 4.209 8.085 1.00 0.00 C ATOM 0 H LEU A 36 -12.039 3.998 11.257 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.626 4.696 8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.556 5.466 9.535 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.094 3.853 10.044 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.125 3.218 7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.747 5.102 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.353 5.170 6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.050 6.241 7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.903 4.060 7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.035 5.163 8.498 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.062 3.402 8.754 1.00 0.00 H new ATOM 479 N LYS A 37 -12.224 1.569 9.287 1.00 0.00 N ATOM 480 CA LYS A 37 -12.216 0.258 8.690 1.00 0.00 C ATOM 481 C LYS A 37 -13.457 0.106 7.813 1.00 0.00 C ATOM 482 O LYS A 37 -13.482 -0.679 6.867 1.00 0.00 O ATOM 483 CB LYS A 37 -12.157 -0.839 9.761 1.00 0.00 C ATOM 484 CG LYS A 37 -11.524 -2.139 9.284 1.00 0.00 C ATOM 485 CD LYS A 37 -12.524 -3.032 8.573 1.00 0.00 C ATOM 486 CE LYS A 37 -11.865 -4.295 8.031 1.00 0.00 C ATOM 487 NZ LYS A 37 -11.070 -5.013 9.068 1.00 0.00 N ATOM 0 H LYS A 37 -12.353 1.598 10.298 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.323 0.149 8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.595 -0.466 10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.169 -1.046 10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.697 -1.914 8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.105 -2.672 10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.323 -3.305 9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.985 -2.481 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.633 -4.962 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.215 -4.032 7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.769 -5.937 8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.231 -4.449 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.654 -5.154 9.917 1.00 0.00 H new ATOM 501 N ALA A 38 -14.469 0.908 8.125 1.00 0.00 N ATOM 502 CA ALA A 38 -15.708 0.919 7.369 1.00 0.00 C ATOM 503 C ALA A 38 -15.681 2.034 6.331 1.00 0.00 C ATOM 504 O ALA A 38 -16.712 2.387 5.757 1.00 0.00 O ATOM 505 CB ALA A 38 -16.895 1.094 8.303 1.00 0.00 C ATOM 0 H ALA A 38 -14.451 1.564 8.906 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.811 -0.036 6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.817 1.100 7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.921 0.270 9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.799 2.037 8.841 1.00 0.00 H new ATOM 511 N ALA A 39 -14.486 2.581 6.096 1.00 0.00 N ATOM 512 CA ALA A 39 -14.296 3.653 5.123 1.00 0.00 C ATOM 513 C ALA A 39 -14.359 3.090 3.715 1.00 0.00 C ATOM 514 O ALA A 39 -14.789 1.956 3.511 1.00 0.00 O ATOM 515 CB ALA A 39 -12.954 4.361 5.349 1.00 0.00 C ATOM 0 H ALA A 39 -13.631 2.294 6.572 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.094 4.384 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.833 5.156 4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.932 4.788 6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.141 3.642 5.243 1.00 0.00 H new ATOM 521 N GLU A 40 -13.901 3.862 2.741 1.00 0.00 N ATOM 522 CA GLU A 40 -13.891 3.397 1.362 1.00 0.00 C ATOM 523 C GLU A 40 -12.645 2.538 1.122 1.00 0.00 C ATOM 524 O GLU A 40 -11.989 2.633 0.084 1.00 0.00 O ATOM 525 CB GLU A 40 -13.929 4.586 0.398 1.00 0.00 C ATOM 526 CG GLU A 40 -14.350 4.213 -1.015 1.00 0.00 C ATOM 527 CD GLU A 40 -15.764 3.683 -1.082 1.00 0.00 C ATOM 528 OE1 GLU A 40 -15.999 2.547 -0.624 1.00 0.00 O ATOM 529 OE2 GLU A 40 -16.644 4.408 -1.578 1.00 0.00 O ATOM 0 H GLU A 40 -13.535 4.804 2.877 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.777 2.790 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.618 5.336 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.942 5.047 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.264 5.089 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.665 3.461 -1.407 1.00 0.00 H new ATOM 536 N GLY A 41 -12.334 1.707 2.116 1.00 0.00 N ATOM 537 CA GLY A 41 -11.177 0.831 2.051 1.00 0.00 C ATOM 538 C GLY A 41 -9.893 1.588 1.806 1.00 0.00 C ATOM 539 O GLY A 41 -9.055 1.154 1.028 1.00 0.00 O ATOM 0 H GLY A 41 -12.874 1.626 2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.094 0.274 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.322 0.101 1.255 1.00 0.00 H new ATOM 543 N CYS A 42 -9.700 2.715 2.478 1.00 0.00 N ATOM 544 CA CYS A 42 -8.483 3.465 2.277 1.00 0.00 C ATOM 545 C CYS A 42 -7.683 3.450 3.557 1.00 0.00 C ATOM 546 O CYS A 42 -6.765 4.250 3.754 1.00 0.00 O ATOM 547 CB CYS A 42 -8.776 4.888 1.805 1.00 0.00 C ATOM 548 SG CYS A 42 -7.846 5.390 0.304 1.00 0.00 S ATOM 0 H CYS A 42 -10.356 3.116 3.149 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.895 2.997 1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.844 4.980 1.605 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.542 5.582 2.612 1.00 0.00 H new ATOM 553 N ALA A 43 -8.017 2.481 4.405 1.00 0.00 N ATOM 554 CA ALA A 43 -7.316 2.274 5.655 1.00 0.00 C ATOM 555 C ALA A 43 -5.938 1.756 5.324 1.00 0.00 C ATOM 556 O ALA A 43 -4.977 1.946 6.067 1.00 0.00 O ATOM 557 CB ALA A 43 -8.064 1.281 6.521 1.00 0.00 C ATOM 0 H ALA A 43 -8.779 1.823 4.240 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.246 3.208 6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.525 1.136 7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.063 1.663 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.144 0.329 5.997 1.00 0.00 H new ATOM 563 N SER A 44 -5.874 1.127 4.160 1.00 0.00 N ATOM 564 CA SER A 44 -4.656 0.577 3.618 1.00 0.00 C ATOM 565 C SER A 44 -3.636 1.699 3.393 1.00 0.00 C ATOM 566 O SER A 44 -2.427 1.472 3.399 1.00 0.00 O ATOM 567 CB SER A 44 -5.013 -0.142 2.320 1.00 0.00 C ATOM 568 OG SER A 44 -6.399 -0.452 2.293 1.00 0.00 O ATOM 0 H SER A 44 -6.687 0.986 3.560 1.00 0.00 H new ATOM 0 HA SER A 44 -4.199 -0.134 4.306 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.757 0.486 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.427 -1.057 2.230 1.00 0.00 H new ATOM 0 HG SER A 44 -6.615 -0.911 1.455 1.00 0.00 H new ATOM 574 N CYS A 45 -4.153 2.924 3.249 1.00 0.00 N ATOM 575 CA CYS A 45 -3.316 4.116 3.082 1.00 0.00 C ATOM 576 C CYS A 45 -2.880 4.606 4.448 1.00 0.00 C ATOM 577 O CYS A 45 -1.720 4.943 4.663 1.00 0.00 O ATOM 578 CB CYS A 45 -4.079 5.242 2.381 1.00 0.00 C ATOM 579 SG CYS A 45 -3.092 6.755 2.137 1.00 0.00 S ATOM 0 H CYS A 45 -5.155 3.116 3.245 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.456 3.845 2.469 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.426 4.885 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.965 5.487 2.966 1.00 0.00 H new ATOM 584 N PHE A 46 -3.844 4.619 5.366 1.00 0.00 N ATOM 585 CA PHE A 46 -3.625 5.034 6.744 1.00 0.00 C ATOM 586 C PHE A 46 -2.399 4.327 7.307 1.00 0.00 C ATOM 587 O PHE A 46 -1.404 4.975 7.612 1.00 0.00 O ATOM 588 CB PHE A 46 -4.902 4.742 7.541 1.00 0.00 C ATOM 589 CG PHE A 46 -4.752 4.522 9.020 1.00 0.00 C ATOM 590 CD1 PHE A 46 -4.675 5.571 9.932 1.00 0.00 C ATOM 591 CD2 PHE A 46 -4.739 3.237 9.515 1.00 0.00 C ATOM 592 CE1 PHE A 46 -4.599 5.341 11.245 1.00 0.00 C ATOM 593 CE2 PHE A 46 -4.653 3.001 10.851 1.00 0.00 C ATOM 594 CZ PHE A 46 -4.588 4.051 11.725 1.00 0.00 C ATOM 0 H PHE A 46 -4.805 4.339 5.170 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.422 6.103 6.809 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.591 5.573 7.391 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.372 3.856 7.113 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.677 6.589 9.571 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.798 2.403 8.831 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.546 6.171 11.934 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.636 1.987 11.221 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.528 3.869 12.788 1.00 0.00 H new ATOM 604 N CYS A 47 -2.432 3.003 7.415 1.00 0.00 N ATOM 605 CA CYS A 47 -1.253 2.303 7.916 1.00 0.00 C ATOM 606 C CYS A 47 -0.213 2.078 6.812 1.00 0.00 C ATOM 607 O CYS A 47 0.043 0.943 6.403 1.00 0.00 O ATOM 608 CB CYS A 47 -1.598 0.967 8.555 1.00 0.00 C ATOM 609 SG CYS A 47 -0.135 0.091 9.193 1.00 0.00 S ATOM 0 H CYS A 47 -3.227 2.412 7.174 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.829 2.953 8.681 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.302 1.131 9.371 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.101 0.338 7.821 1.00 0.00 H new ATOM 614 N GLU A 48 0.408 3.155 6.351 1.00 0.00 N ATOM 615 CA GLU A 48 1.444 3.054 5.331 1.00 0.00 C ATOM 616 C GLU A 48 2.787 3.339 5.977 1.00 0.00 C ATOM 617 O GLU A 48 3.637 2.457 6.097 1.00 0.00 O ATOM 618 CB GLU A 48 1.207 4.039 4.180 1.00 0.00 C ATOM 619 CG GLU A 48 2.121 3.806 2.986 1.00 0.00 C ATOM 620 CD GLU A 48 2.128 4.966 2.018 1.00 0.00 C ATOM 621 OE1 GLU A 48 2.622 6.043 2.391 1.00 0.00 O ATOM 622 OE2 GLU A 48 1.638 4.802 0.883 1.00 0.00 O ATOM 0 H GLU A 48 0.214 4.106 6.665 1.00 0.00 H new ATOM 0 HA GLU A 48 1.422 2.048 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.170 3.962 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.352 5.055 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.136 3.629 3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.804 2.904 2.463 1.00 0.00 H new ATOM 629 N ASP A 49 2.951 4.582 6.416 1.00 0.00 N ATOM 630 CA ASP A 49 4.170 5.023 7.081 1.00 0.00 C ATOM 631 C ASP A 49 4.301 4.357 8.446 1.00 0.00 C ATOM 632 O ASP A 49 5.392 3.993 8.879 1.00 0.00 O ATOM 633 CB ASP A 49 4.145 6.544 7.244 1.00 0.00 C ATOM 634 CG ASP A 49 5.354 7.072 7.973 1.00 0.00 C ATOM 635 OD1 ASP A 49 6.478 6.900 7.463 1.00 0.00 O ATOM 636 OD2 ASP A 49 5.181 7.667 9.054 1.00 0.00 O ATOM 0 H ASP A 49 2.244 5.311 6.321 1.00 0.00 H new ATOM 0 HA ASP A 49 5.027 4.738 6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.087 7.010 6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.244 6.832 7.786 1.00 0.00 H new ATOM 641 N HIS A 50 3.169 4.200 9.113 1.00 0.00 N ATOM 642 CA HIS A 50 3.126 3.582 10.431 1.00 0.00 C ATOM 643 C HIS A 50 2.821 2.093 10.327 1.00 0.00 C ATOM 644 O HIS A 50 1.977 1.569 11.052 1.00 0.00 O ATOM 645 CB HIS A 50 2.111 4.266 11.379 1.00 0.00 C ATOM 646 CG HIS A 50 1.013 5.080 10.732 1.00 0.00 C ATOM 647 ND1 HIS A 50 -0.235 5.228 11.299 1.00 0.00 N ATOM 648 CD2 HIS A 50 0.999 5.845 9.611 1.00 0.00 C ATOM 649 CE1 HIS A 50 -0.962 6.045 10.556 1.00 0.00 C ATOM 650 NE2 HIS A 50 -0.236 6.436 9.529 1.00 0.00 N ATOM 0 H HIS A 50 2.259 4.495 8.760 1.00 0.00 H new ATOM 0 HA HIS A 50 4.117 3.715 10.864 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.645 3.494 11.992 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.664 4.918 12.055 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.812 5.966 8.911 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.981 6.342 10.757 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.542 7.073 8.794 1.00 0.00 H new ATOM 659 N CYS A 51 3.527 1.417 9.430 1.00 0.00 N ATOM 660 CA CYS A 51 3.359 -0.027 9.234 1.00 0.00 C ATOM 661 C CYS A 51 4.027 -0.793 10.378 1.00 0.00 C ATOM 662 O CYS A 51 5.115 -1.349 10.216 1.00 0.00 O ATOM 663 CB CYS A 51 3.953 -0.456 7.884 1.00 0.00 C ATOM 664 SG CYS A 51 3.995 -2.263 7.612 1.00 0.00 S ATOM 0 H CYS A 51 4.226 1.843 8.821 1.00 0.00 H new ATOM 0 HA CYS A 51 2.294 -0.259 9.231 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.374 0.005 7.084 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.968 -0.067 7.808 1.00 0.00 H new ATOM 669 N HIS A 52 3.384 -0.781 11.545 1.00 0.00 N ATOM 670 CA HIS A 52 3.914 -1.436 12.735 1.00 0.00 C ATOM 671 C HIS A 52 2.931 -1.349 13.901 1.00 0.00 C ATOM 672 O HIS A 52 1.795 -0.895 13.742 1.00 0.00 O ATOM 673 CB HIS A 52 5.228 -0.765 13.146 1.00 0.00 C ATOM 674 CG HIS A 52 5.127 0.729 13.301 1.00 0.00 C ATOM 675 ND1 HIS A 52 4.084 1.354 13.958 1.00 0.00 N ATOM 676 CD2 HIS A 52 5.942 1.720 12.872 1.00 0.00 C ATOM 677 CE1 HIS A 52 4.259 2.660 13.919 1.00 0.00 C ATOM 678 NE2 HIS A 52 5.382 2.911 13.268 1.00 0.00 N ATOM 0 H HIS A 52 2.486 -0.319 11.690 1.00 0.00 H new ATOM 0 HA HIS A 52 4.080 -2.486 12.495 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.566 -1.196 14.088 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.990 -0.993 12.400 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.862 1.598 12.320 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.598 3.399 14.346 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.770 3.837 13.089 1.00 0.00 H new ATOM 687 N GLY A 53 3.408 -1.740 15.079 1.00 0.00 N ATOM 688 CA GLY A 53 2.615 -1.664 16.292 1.00 0.00 C ATOM 689 C GLY A 53 1.371 -2.523 16.286 1.00 0.00 C ATOM 690 O GLY A 53 1.447 -3.751 16.332 1.00 0.00 O ATOM 0 H GLY A 53 4.347 -2.115 15.215 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.238 -1.957 17.137 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.323 -0.627 16.455 1.00 0.00 H new ATOM 694 N VAL A 54 0.217 -1.872 16.259 1.00 0.00 N ATOM 695 CA VAL A 54 -1.046 -2.563 16.283 1.00 0.00 C ATOM 696 C VAL A 54 -1.572 -2.777 14.871 1.00 0.00 C ATOM 697 O VAL A 54 -2.608 -3.397 14.682 1.00 0.00 O ATOM 698 CB VAL A 54 -2.068 -1.773 17.123 1.00 0.00 C ATOM 699 CG1 VAL A 54 -2.628 -0.628 16.315 1.00 0.00 C ATOM 700 CG2 VAL A 54 -3.182 -2.668 17.635 1.00 0.00 C ATOM 0 H VAL A 54 0.139 -0.856 16.220 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.895 -3.540 16.741 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.551 -1.370 17.994 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.349 -0.076 16.918 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.818 0.038 16.018 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.122 -1.018 15.425 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.883 -2.076 18.223 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.705 -3.117 16.791 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.759 -3.455 18.260 1.00 0.00 H new ATOM 710 N CYS A 55 -0.838 -2.292 13.872 1.00 0.00 N ATOM 711 CA CYS A 55 -1.240 -2.480 12.478 1.00 0.00 C ATOM 712 C CYS A 55 -1.251 -3.970 12.167 1.00 0.00 C ATOM 713 O CYS A 55 -1.911 -4.435 11.237 1.00 0.00 O ATOM 714 CB CYS A 55 -0.281 -1.760 11.544 1.00 0.00 C ATOM 715 SG CYS A 55 -0.851 -1.690 9.820 1.00 0.00 S ATOM 0 H CYS A 55 0.030 -1.771 13.998 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.236 -2.062 12.329 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.128 -0.744 11.908 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.687 -2.259 11.577 1.00 0.00 H new ATOM 720 N LYS A 56 -0.541 -4.711 13.005 1.00 0.00 N ATOM 721 CA LYS A 56 -0.474 -6.154 12.900 1.00 0.00 C ATOM 722 C LYS A 56 -1.789 -6.737 13.404 1.00 0.00 C ATOM 723 O LYS A 56 -2.224 -7.806 12.974 1.00 0.00 O ATOM 724 CB LYS A 56 0.697 -6.668 13.748 1.00 0.00 C ATOM 725 CG LYS A 56 1.032 -8.140 13.553 1.00 0.00 C ATOM 726 CD LYS A 56 1.987 -8.644 14.627 1.00 0.00 C ATOM 727 CE LYS A 56 3.283 -7.839 14.667 1.00 0.00 C ATOM 728 NZ LYS A 56 4.198 -8.310 15.742 1.00 0.00 N ATOM 0 H LYS A 56 0.004 -4.325 13.776 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.316 -6.456 11.865 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.582 -6.075 13.516 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.466 -6.499 14.800 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.115 -8.729 13.575 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.480 -8.285 12.570 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.498 -8.591 15.600 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.218 -9.693 14.443 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.787 -7.914 13.703 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.051 -6.786 14.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.066 -7.737 15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.728 -8.214 16.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.441 -9.308 15.579 1.00 0.00 H new ATOM 742 N ASP A 57 -2.415 -6.005 14.326 1.00 0.00 N ATOM 743 CA ASP A 57 -3.679 -6.414 14.918 1.00 0.00 C ATOM 744 C ASP A 57 -4.855 -6.126 13.996 1.00 0.00 C ATOM 745 O ASP A 57 -5.633 -7.031 13.692 1.00 0.00 O ATOM 746 CB ASP A 57 -3.912 -5.698 16.246 1.00 0.00 C ATOM 747 CG ASP A 57 -4.804 -6.496 17.166 1.00 0.00 C ATOM 748 OD1 ASP A 57 -4.443 -7.640 17.497 1.00 0.00 O ATOM 749 OD2 ASP A 57 -5.869 -5.981 17.558 1.00 0.00 O ATOM 0 H ASP A 57 -2.058 -5.117 14.679 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.615 -7.490 15.082 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.954 -5.518 16.735 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.362 -4.723 16.059 1.00 0.00 H new ATOM 754 N LEU A 58 -5.020 -4.867 13.564 1.00 0.00 N ATOM 755 CA LEU A 58 -6.151 -4.540 12.702 1.00 0.00 C ATOM 756 C LEU A 58 -6.042 -5.221 11.329 1.00 0.00 C ATOM 757 O LEU A 58 -7.069 -5.537 10.727 1.00 0.00 O ATOM 758 CB LEU A 58 -6.461 -3.022 12.625 1.00 0.00 C ATOM 759 CG LEU A 58 -5.335 -1.997 12.390 1.00 0.00 C ATOM 760 CD1 LEU A 58 -4.677 -1.631 13.699 1.00 0.00 C ATOM 761 CD2 LEU A 58 -4.314 -2.475 11.379 1.00 0.00 C ATOM 0 H LEU A 58 -4.404 -4.086 13.791 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.032 -4.965 13.183 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.191 -2.884 11.827 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.954 -2.748 13.558 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.793 -1.104 11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.884 -0.906 13.517 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.418 -1.197 14.370 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.254 -2.525 14.156 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.544 -1.714 11.252 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.857 -3.399 11.733 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.806 -2.656 10.423 1.00 0.00 H new ATOM 773 N HIS A 59 -4.800 -5.498 10.890 1.00 0.00 N ATOM 774 CA HIS A 59 -4.501 -6.220 9.636 1.00 0.00 C ATOM 775 C HIS A 59 -4.467 -5.353 8.388 1.00 0.00 C ATOM 776 O HIS A 59 -5.418 -5.351 7.606 1.00 0.00 O ATOM 777 CB HIS A 59 -5.473 -7.386 9.418 1.00 0.00 C ATOM 778 CG HIS A 59 -4.889 -8.727 9.720 1.00 0.00 C ATOM 779 ND1 HIS A 59 -4.266 -9.030 10.910 1.00 0.00 N ATOM 780 CD2 HIS A 59 -4.845 -9.857 8.975 1.00 0.00 C ATOM 781 CE1 HIS A 59 -3.862 -10.288 10.883 1.00 0.00 C ATOM 782 NE2 HIS A 59 -4.200 -10.812 9.717 1.00 0.00 N ATOM 0 H HIS A 59 -3.963 -5.223 11.403 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.487 -6.592 9.779 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -6.352 -7.235 10.044 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -5.813 -7.374 8.382 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -4.137 -8.385 11.690 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.245 -9.983 7.980 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.343 -10.801 11.679 1.00 0.00 H new ATOM 791 N LEU A 60 -3.348 -4.663 8.174 1.00 0.00 N ATOM 792 CA LEU A 60 -3.162 -3.843 6.982 1.00 0.00 C ATOM 793 C LEU A 60 -1.827 -4.162 6.332 1.00 0.00 C ATOM 794 O LEU A 60 -1.759 -4.838 5.307 1.00 0.00 O ATOM 795 CB LEU A 60 -3.186 -2.354 7.313 1.00 0.00 C ATOM 796 CG LEU A 60 -4.461 -1.841 7.954 1.00 0.00 C ATOM 797 CD1 LEU A 60 -4.439 -0.340 8.002 1.00 0.00 C ATOM 798 CD2 LEU A 60 -5.682 -2.353 7.217 1.00 0.00 C ATOM 0 H LEU A 60 -2.554 -4.657 8.815 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.985 -4.071 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.353 -2.136 7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.013 -1.794 6.394 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.519 -2.217 8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.357 0.023 8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.582 -0.007 8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.361 0.055 6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.583 -1.971 7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.650 -2.014 6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.692 -3.443 7.242 1.00 0.00 H new ATOM 810 N CYS A 61 -0.770 -3.655 6.944 1.00 0.00 N ATOM 811 CA CYS A 61 0.582 -3.850 6.454 1.00 0.00 C ATOM 812 C CYS A 61 1.356 -4.772 7.391 1.00 0.00 C ATOM 813 O CYS A 61 1.069 -4.758 8.604 1.00 0.00 O ATOM 814 CB CYS A 61 1.266 -2.484 6.334 1.00 0.00 C ATOM 815 SG CYS A 61 3.021 -2.540 5.853 1.00 0.00 S ATOM 816 OXT CYS A 61 2.223 -5.521 6.906 1.00 0.00 O ATOM 0 H CYS A 61 -0.826 -3.096 7.795 1.00 0.00 H new ATOM 0 HA CYS A 61 0.557 -4.323 5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.723 -1.886 5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.184 -1.968 7.291 1.00 0.00 H new TER 821 CYS A 61