USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= -0.0288 (180deg=-0.484) USER MOD Single : A 2 THR OG1 : rot 164:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot -173:sc= 0.676 USER MOD Single : A 9 CYS SG : rot 116:sc= 1.44 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -150:sc= -0.543 USER MOD Single : A 13 TYR OH : rot 150:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 85:sc= 0.397 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 CYS SG : rot 35:sc= 0.00785 USER MOD Single : A 39 CYS SG : rot 140:sc= -1.03 USER MOD Single : A 42 CYS SG : rot -0:sc= 0.703 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc=-0.00127 (180deg=-0.0761) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.213 -1.083 1.896 1.00 0.00 N ATOM 2 CA MET A 1 2.663 -1.149 0.511 1.00 0.00 C ATOM 3 C MET A 1 3.902 -2.030 0.383 1.00 0.00 C ATOM 4 O MET A 1 4.611 -2.269 1.361 1.00 0.00 O ATOM 5 CB MET A 1 2.965 0.255 -0.017 1.00 0.00 C ATOM 6 CG MET A 1 1.743 1.155 -0.084 1.00 0.00 C ATOM 7 SD MET A 1 0.663 0.759 -1.473 1.00 0.00 S ATOM 8 CE MET A 1 0.750 2.281 -2.414 1.00 0.00 C ATOM 0 H1 MET A 1 1.210 -1.354 1.949 1.00 0.00 H new ATOM 0 H2 MET A 1 2.779 -1.735 2.476 1.00 0.00 H new ATOM 0 H3 MET A 1 2.328 -0.113 2.253 1.00 0.00 H new ATOM 0 HA MET A 1 1.863 -1.589 -0.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.715 0.721 0.622 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.401 0.174 -1.013 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.180 1.067 0.845 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.065 2.193 -0.164 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.131 2.192 -3.307 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.388 3.108 -1.803 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.783 2.470 -2.705 1.00 0.00 H new ATOM 18 N THR A 2 4.157 -2.512 -0.829 1.00 0.00 N ATOM 19 CA THR A 2 5.309 -3.368 -1.084 1.00 0.00 C ATOM 20 C THR A 2 6.519 -2.548 -1.515 1.00 0.00 C ATOM 21 O THR A 2 6.384 -1.549 -2.221 1.00 0.00 O ATOM 22 CB THR A 2 5.000 -4.416 -2.170 1.00 0.00 C ATOM 23 OG1 THR A 2 3.936 -5.271 -1.738 1.00 0.00 O ATOM 24 CG2 THR A 2 6.233 -5.251 -2.482 1.00 0.00 C ATOM 0 H THR A 2 3.581 -2.324 -1.650 1.00 0.00 H new ATOM 0 HA THR A 2 5.535 -3.880 -0.149 1.00 0.00 H new ATOM 0 HB THR A 2 4.698 -3.890 -3.075 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.576 -5.759 -2.508 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.991 -5.984 -3.251 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.032 -4.601 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.561 -5.767 -1.580 1.00 0.00 H new ATOM 32 N ALA A 3 7.702 -2.977 -1.087 1.00 0.00 N ATOM 33 CA ALA A 3 8.937 -2.283 -1.431 1.00 0.00 C ATOM 34 C ALA A 3 10.122 -3.242 -1.435 1.00 0.00 C ATOM 35 O ALA A 3 10.484 -3.801 -0.400 1.00 0.00 O ATOM 36 CB ALA A 3 9.186 -1.136 -0.462 1.00 0.00 C ATOM 0 H ALA A 3 7.831 -3.802 -0.501 1.00 0.00 H new ATOM 0 HA ALA A 3 8.829 -1.877 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.111 -0.627 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.356 -0.431 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.269 -1.528 0.552 1.00 0.00 H new ATOM 42 N TYR A 4 10.723 -3.428 -2.605 1.00 0.00 N ATOM 43 CA TYR A 4 11.866 -4.322 -2.744 1.00 0.00 C ATOM 44 C TYR A 4 13.138 -3.536 -3.049 1.00 0.00 C ATOM 45 O TYR A 4 13.334 -3.060 -4.167 1.00 0.00 O ATOM 46 CB TYR A 4 11.608 -5.345 -3.851 1.00 0.00 C ATOM 47 CG TYR A 4 10.656 -6.448 -3.446 1.00 0.00 C ATOM 48 CD1 TYR A 4 11.107 -7.557 -2.739 1.00 0.00 C ATOM 49 CD2 TYR A 4 9.307 -6.383 -3.771 1.00 0.00 C ATOM 50 CE1 TYR A 4 10.241 -8.567 -2.368 1.00 0.00 C ATOM 51 CE2 TYR A 4 8.434 -7.388 -3.402 1.00 0.00 C ATOM 52 CZ TYR A 4 8.905 -8.478 -2.701 1.00 0.00 C ATOM 53 OH TYR A 4 8.039 -9.482 -2.333 1.00 0.00 O ATOM 0 H TYR A 4 10.437 -2.971 -3.471 1.00 0.00 H new ATOM 0 HA TYR A 4 12.002 -4.846 -1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 4 11.205 -4.830 -4.723 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.557 -5.788 -4.153 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.152 -7.630 -2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.934 -5.532 -4.322 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.608 -9.422 -1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.388 -7.320 -3.661 1.00 0.00 H new ATOM 0 HH TYR A 4 7.135 -9.265 -2.643 1.00 0.00 H new ATOM 63 N ARG A 5 14.000 -3.406 -2.046 1.00 0.00 N ATOM 64 CA ARG A 5 15.253 -2.678 -2.204 1.00 0.00 C ATOM 65 C ARG A 5 16.448 -3.611 -2.035 1.00 0.00 C ATOM 66 O ARG A 5 16.787 -4.006 -0.919 1.00 0.00 O ATOM 67 CB ARG A 5 15.336 -1.536 -1.190 1.00 0.00 C ATOM 68 CG ARG A 5 16.480 -0.570 -1.453 1.00 0.00 C ATOM 69 CD ARG A 5 17.695 -0.900 -0.600 1.00 0.00 C ATOM 70 NE ARG A 5 17.430 -0.712 0.824 1.00 0.00 N ATOM 71 CZ ARG A 5 18.290 -1.042 1.781 1.00 0.00 C ATOM 72 NH1 ARG A 5 19.464 -1.572 1.468 1.00 0.00 N ATOM 73 NH2 ARG A 5 17.977 -0.841 3.055 1.00 0.00 N ATOM 0 H ARG A 5 13.853 -3.796 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 5 15.278 -2.262 -3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.396 -0.984 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.449 -1.956 -0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.754 -0.607 -2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.153 0.449 -1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.995 -1.932 -0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 5 18.531 -0.268 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 5 16.536 -0.305 1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 5 19.709 -1.727 0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 5 20.122 -1.824 2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.075 -0.433 3.300 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.638 -1.095 3.789 1.00 0.00 H new ATOM 87 N CYS A 6 17.082 -3.960 -3.149 1.00 0.00 N ATOM 88 CA CYS A 6 18.239 -4.848 -3.125 1.00 0.00 C ATOM 89 C CYS A 6 19.153 -4.583 -4.317 1.00 0.00 C ATOM 90 O CYS A 6 19.033 -5.205 -5.373 1.00 0.00 O ATOM 91 CB CYS A 6 17.788 -6.309 -3.127 1.00 0.00 C ATOM 92 SG CYS A 6 17.617 -7.031 -1.479 1.00 0.00 S ATOM 0 H CYS A 6 16.814 -3.642 -4.080 1.00 0.00 H new ATOM 0 HA CYS A 6 18.798 -4.650 -2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.832 -6.382 -3.645 1.00 0.00 H new ATOM 0 HB3 CYS A 6 18.505 -6.899 -3.698 1.00 0.00 H new ATOM 0 HG CYS A 6 17.368 -8.303 -1.586 1.00 0.00 H new ATOM 98 N PRO A 7 20.088 -3.637 -4.148 1.00 0.00 N ATOM 99 CA PRO A 7 21.040 -3.267 -5.200 1.00 0.00 C ATOM 100 C PRO A 7 22.061 -4.366 -5.470 1.00 0.00 C ATOM 101 O PRO A 7 22.837 -4.286 -6.423 1.00 0.00 O ATOM 102 CB PRO A 7 21.730 -2.024 -4.633 1.00 0.00 C ATOM 103 CG PRO A 7 21.601 -2.160 -3.155 1.00 0.00 C ATOM 104 CD PRO A 7 20.289 -2.855 -2.916 1.00 0.00 C ATOM 0 HA PRO A 7 20.545 -3.098 -6.156 1.00 0.00 H new ATOM 0 HB2 PRO A 7 22.776 -1.979 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 7 21.255 -1.110 -4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 7 22.429 -2.737 -2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 7 21.620 -1.184 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 7 20.328 -3.496 -2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 7 19.480 -2.142 -2.756 1.00 0.00 H new ATOM 112 N VAL A 8 22.056 -5.393 -4.626 1.00 0.00 N ATOM 113 CA VAL A 8 22.981 -6.510 -4.775 1.00 0.00 C ATOM 114 C VAL A 8 22.684 -7.305 -6.042 1.00 0.00 C ATOM 115 O VAL A 8 23.538 -8.039 -6.541 1.00 0.00 O ATOM 116 CB VAL A 8 22.919 -7.457 -3.562 1.00 0.00 C ATOM 117 CG1 VAL A 8 23.227 -6.701 -2.278 1.00 0.00 C ATOM 118 CG2 VAL A 8 21.556 -8.129 -3.481 1.00 0.00 C ATOM 0 H VAL A 8 21.421 -5.474 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 8 23.982 -6.084 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 8 23.674 -8.232 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 8 23.178 -7.386 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 8 24.227 -6.271 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.497 -5.903 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 8 21.529 -8.795 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.781 -7.369 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 8 21.380 -8.705 -4.389 1.00 0.00 H new ATOM 128 N CYS A 9 21.469 -7.153 -6.557 1.00 0.00 N ATOM 129 CA CYS A 9 21.058 -7.857 -7.767 1.00 0.00 C ATOM 130 C CYS A 9 20.690 -6.872 -8.871 1.00 0.00 C ATOM 131 O CYS A 9 21.229 -6.934 -9.977 1.00 0.00 O ATOM 132 CB CYS A 9 19.871 -8.775 -7.469 1.00 0.00 C ATOM 133 SG CYS A 9 18.767 -8.158 -6.178 1.00 0.00 S ATOM 0 H CYS A 9 20.751 -6.549 -6.156 1.00 0.00 H new ATOM 0 HA CYS A 9 21.898 -8.461 -8.110 1.00 0.00 H new ATOM 0 HB2 CYS A 9 19.297 -8.918 -8.385 1.00 0.00 H new ATOM 0 HB3 CYS A 9 20.248 -9.754 -7.173 1.00 0.00 H new ATOM 0 HG CYS A 9 17.595 -7.918 -6.687 1.00 0.00 H new ATOM 139 N ASP A 10 19.770 -5.964 -8.565 1.00 0.00 N ATOM 140 CA ASP A 10 19.329 -4.966 -9.531 1.00 0.00 C ATOM 141 C ASP A 10 18.819 -3.713 -8.825 1.00 0.00 C ATOM 142 O ASP A 10 18.487 -3.749 -7.640 1.00 0.00 O ATOM 143 CB ASP A 10 18.233 -5.542 -10.429 1.00 0.00 C ATOM 144 CG ASP A 10 17.813 -4.579 -11.521 1.00 0.00 C ATOM 145 OD1 ASP A 10 18.698 -3.913 -12.099 1.00 0.00 O ATOM 146 OD2 ASP A 10 16.599 -4.491 -11.800 1.00 0.00 O ATOM 0 H ASP A 10 19.315 -5.899 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 10 20.185 -4.691 -10.147 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.588 -6.468 -10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.366 -5.797 -9.820 1.00 0.00 H new ATOM 151 N TYR A 11 18.761 -2.608 -9.560 1.00 0.00 N ATOM 152 CA TYR A 11 18.295 -1.344 -9.003 1.00 0.00 C ATOM 153 C TYR A 11 16.997 -1.536 -8.225 1.00 0.00 C ATOM 154 O TYR A 11 16.260 -2.498 -8.450 1.00 0.00 O ATOM 155 CB TYR A 11 18.088 -0.317 -10.117 1.00 0.00 C ATOM 156 CG TYR A 11 19.333 0.472 -10.453 1.00 0.00 C ATOM 157 CD1 TYR A 11 19.839 1.418 -9.570 1.00 0.00 C ATOM 158 CD2 TYR A 11 20.005 0.271 -11.653 1.00 0.00 C ATOM 159 CE1 TYR A 11 20.976 2.142 -9.873 1.00 0.00 C ATOM 160 CE2 TYR A 11 21.143 0.989 -11.963 1.00 0.00 C ATOM 161 CZ TYR A 11 21.624 1.924 -11.070 1.00 0.00 C ATOM 162 OH TYR A 11 22.758 2.642 -11.375 1.00 0.00 O ATOM 0 H TYR A 11 19.031 -2.562 -10.543 1.00 0.00 H new ATOM 0 HA TYR A 11 19.057 -0.976 -8.316 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.741 -0.831 -11.013 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.299 0.374 -9.820 1.00 0.00 H new ATOM 0 HD1 TYR A 11 19.335 1.590 -8.631 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.631 -0.459 -12.355 1.00 0.00 H new ATOM 0 HE1 TYR A 11 21.355 2.875 -9.176 1.00 0.00 H new ATOM 0 HE2 TYR A 11 21.654 0.820 -12.899 1.00 0.00 H new ATOM 0 HH TYR A 11 23.093 2.367 -12.254 1.00 0.00 H new ATOM 172 N THR A 12 16.721 -0.614 -7.309 1.00 0.00 N ATOM 173 CA THR A 12 15.512 -0.680 -6.497 1.00 0.00 C ATOM 174 C THR A 12 14.506 0.384 -6.919 1.00 0.00 C ATOM 175 O THR A 12 14.864 1.545 -7.121 1.00 0.00 O ATOM 176 CB THR A 12 15.831 -0.504 -5.000 1.00 0.00 C ATOM 177 OG1 THR A 12 14.618 -0.336 -4.258 1.00 0.00 O ATOM 178 CG2 THR A 12 16.738 0.696 -4.778 1.00 0.00 C ATOM 0 H THR A 12 17.319 0.188 -7.110 1.00 0.00 H new ATOM 0 HA THR A 12 15.079 -1.668 -6.656 1.00 0.00 H new ATOM 0 HB THR A 12 16.348 -1.399 -4.653 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.791 0.221 -3.471 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.949 0.800 -3.714 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.672 0.552 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.244 1.598 -5.140 1.00 0.00 H new ATOM 186 N TYR A 13 13.247 -0.018 -7.051 1.00 0.00 N ATOM 187 CA TYR A 13 12.189 0.902 -7.452 1.00 0.00 C ATOM 188 C TYR A 13 10.858 0.510 -6.818 1.00 0.00 C ATOM 189 O TYR A 13 10.238 -0.478 -7.211 1.00 0.00 O ATOM 190 CB TYR A 13 12.055 0.926 -8.975 1.00 0.00 C ATOM 191 CG TYR A 13 12.130 -0.444 -9.611 1.00 0.00 C ATOM 192 CD1 TYR A 13 13.355 -1.027 -9.909 1.00 0.00 C ATOM 193 CD2 TYR A 13 10.975 -1.155 -9.914 1.00 0.00 C ATOM 194 CE1 TYR A 13 13.429 -2.278 -10.491 1.00 0.00 C ATOM 195 CE2 TYR A 13 11.039 -2.407 -10.494 1.00 0.00 C ATOM 196 CZ TYR A 13 12.268 -2.964 -10.781 1.00 0.00 C ATOM 197 OH TYR A 13 12.336 -4.210 -11.360 1.00 0.00 O ATOM 0 H TYR A 13 12.934 -0.975 -6.886 1.00 0.00 H new ATOM 0 HA TYR A 13 12.457 1.899 -7.103 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.105 1.389 -9.240 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.843 1.554 -9.391 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.266 -0.493 -9.682 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.011 -0.721 -9.692 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.390 -2.716 -10.717 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.132 -2.947 -10.722 1.00 0.00 H new ATOM 0 HH TYR A 13 11.564 -4.744 -11.079 1.00 0.00 H new ATOM 207 N ASP A 14 10.424 1.293 -5.836 1.00 0.00 N ATOM 208 CA ASP A 14 9.166 1.030 -5.148 1.00 0.00 C ATOM 209 C ASP A 14 7.978 1.312 -6.062 1.00 0.00 C ATOM 210 O ASP A 14 7.975 2.291 -6.808 1.00 0.00 O ATOM 211 CB ASP A 14 9.064 1.882 -3.882 1.00 0.00 C ATOM 212 CG ASP A 14 7.691 1.811 -3.245 1.00 0.00 C ATOM 213 OD1 ASP A 14 7.082 0.721 -3.268 1.00 0.00 O ATOM 214 OD2 ASP A 14 7.224 2.846 -2.724 1.00 0.00 O ATOM 0 H ASP A 14 10.925 2.115 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 14 9.146 -0.024 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.812 1.550 -3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.295 2.919 -4.126 1.00 0.00 H new ATOM 219 N GLU A 15 6.970 0.447 -6.000 1.00 0.00 N ATOM 220 CA GLU A 15 5.777 0.603 -6.824 1.00 0.00 C ATOM 221 C GLU A 15 5.149 1.978 -6.616 1.00 0.00 C ATOM 222 O GLU A 15 4.678 2.607 -7.562 1.00 0.00 O ATOM 223 CB GLU A 15 4.758 -0.491 -6.497 1.00 0.00 C ATOM 224 CG GLU A 15 4.843 -1.696 -7.419 1.00 0.00 C ATOM 225 CD GLU A 15 6.273 -2.107 -7.711 1.00 0.00 C ATOM 226 OE1 GLU A 15 7.055 -2.262 -6.750 1.00 0.00 O ATOM 227 OE2 GLU A 15 6.610 -2.275 -8.902 1.00 0.00 O ATOM 0 H GLU A 15 6.956 -0.369 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 15 6.073 0.512 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.907 -0.820 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.754 -0.070 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.313 -2.534 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.336 -1.468 -8.356 1.00 0.00 H new ATOM 234 N GLY A 16 5.144 2.437 -5.368 1.00 0.00 N ATOM 235 CA GLY A 16 4.570 3.734 -5.057 1.00 0.00 C ATOM 236 C GLY A 16 5.509 4.877 -5.385 1.00 0.00 C ATOM 237 O GLY A 16 5.177 6.044 -5.174 1.00 0.00 O ATOM 0 H GLY A 16 5.527 1.934 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.641 3.860 -5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.314 3.770 -3.998 1.00 0.00 H new ATOM 241 N LYS A 17 6.687 4.544 -5.900 1.00 0.00 N ATOM 242 CA LYS A 17 7.679 5.551 -6.258 1.00 0.00 C ATOM 243 C LYS A 17 7.838 5.644 -7.772 1.00 0.00 C ATOM 244 O LYS A 17 8.071 6.723 -8.316 1.00 0.00 O ATOM 245 CB LYS A 17 9.027 5.221 -5.613 1.00 0.00 C ATOM 246 CG LYS A 17 9.937 6.426 -5.454 1.00 0.00 C ATOM 247 CD LYS A 17 9.790 7.059 -4.080 1.00 0.00 C ATOM 248 CE LYS A 17 10.122 8.543 -4.111 1.00 0.00 C ATOM 249 NZ LYS A 17 9.800 9.210 -2.820 1.00 0.00 N ATOM 0 H LYS A 17 6.979 3.583 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 17 7.331 6.515 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.852 4.777 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.535 4.470 -6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.973 6.123 -5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.703 7.163 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.770 6.921 -3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.447 6.553 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.181 8.674 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.566 9.023 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.041 10.220 -2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.785 9.108 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.350 8.769 -2.055 1.00 0.00 H new ATOM 263 N GLY A 18 7.708 4.507 -8.448 1.00 0.00 N ATOM 264 CA GLY A 18 7.839 4.483 -9.893 1.00 0.00 C ATOM 265 C GLY A 18 9.286 4.493 -10.345 1.00 0.00 C ATOM 266 O GLY A 18 10.178 4.875 -9.586 1.00 0.00 O ATOM 0 H GLY A 18 7.514 3.601 -8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.346 3.593 -10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.324 5.346 -10.316 1.00 0.00 H new ATOM 270 N ASP A 19 9.521 4.072 -11.582 1.00 0.00 N ATOM 271 CA ASP A 19 10.871 4.033 -12.134 1.00 0.00 C ATOM 272 C ASP A 19 10.847 3.610 -13.599 1.00 0.00 C ATOM 273 O ASP A 19 11.206 2.486 -13.952 1.00 0.00 O ATOM 274 CB ASP A 19 11.747 3.074 -11.327 1.00 0.00 C ATOM 275 CG ASP A 19 13.212 3.462 -11.360 1.00 0.00 C ATOM 276 OD1 ASP A 19 13.504 4.659 -11.561 1.00 0.00 O ATOM 277 OD2 ASP A 19 14.067 2.567 -11.186 1.00 0.00 O ATOM 0 H ASP A 19 8.794 3.753 -12.223 1.00 0.00 H new ATOM 0 HA ASP A 19 11.292 5.037 -12.072 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.402 3.055 -10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.633 2.064 -11.720 1.00 0.00 H new ATOM 282 N PRO A 20 10.413 4.529 -14.474 1.00 0.00 N ATOM 283 CA PRO A 20 10.332 4.274 -15.915 1.00 0.00 C ATOM 284 C PRO A 20 11.708 4.164 -16.563 1.00 0.00 C ATOM 285 O PRO A 20 11.826 3.793 -17.731 1.00 0.00 O ATOM 286 CB PRO A 20 9.584 5.498 -16.451 1.00 0.00 C ATOM 287 CG PRO A 20 9.860 6.574 -15.458 1.00 0.00 C ATOM 288 CD PRO A 20 9.969 5.889 -14.124 1.00 0.00 C ATOM 0 HA PRO A 20 9.839 3.327 -16.134 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.938 5.775 -17.444 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.515 5.303 -16.537 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.782 7.103 -15.702 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.060 7.314 -15.452 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.685 6.390 -13.472 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.014 5.877 -13.599 1.00 0.00 H new ATOM 296 N ARG A 21 12.745 4.488 -15.798 1.00 0.00 N ATOM 297 CA ARG A 21 14.112 4.427 -16.298 1.00 0.00 C ATOM 298 C ARG A 21 14.469 3.008 -16.734 1.00 0.00 C ATOM 299 O ARG A 21 15.348 2.809 -17.572 1.00 0.00 O ATOM 300 CB ARG A 21 15.093 4.903 -15.225 1.00 0.00 C ATOM 301 CG ARG A 21 15.402 6.389 -15.300 1.00 0.00 C ATOM 302 CD ARG A 21 14.393 7.209 -14.511 1.00 0.00 C ATOM 303 NE ARG A 21 14.654 8.642 -14.611 1.00 0.00 N ATOM 304 CZ ARG A 21 15.580 9.272 -13.897 1.00 0.00 C ATOM 305 NH1 ARG A 21 16.330 8.598 -13.035 1.00 0.00 N ATOM 306 NH2 ARG A 21 15.759 10.579 -14.044 1.00 0.00 N ATOM 0 H ARG A 21 12.664 4.796 -14.829 1.00 0.00 H new ATOM 0 HA ARG A 21 14.184 5.085 -17.164 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.682 4.675 -14.242 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.023 4.342 -15.320 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.404 6.573 -14.913 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.398 6.710 -16.342 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.388 6.997 -14.877 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.421 6.908 -13.464 1.00 0.00 H new ATOM 0 HE ARG A 21 14.095 9.189 -15.265 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.196 7.593 -12.919 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.040 9.084 -12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.185 11.101 -14.706 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.471 11.061 -13.495 1.00 0.00 H new ATOM 320 N GLU A 22 13.780 2.027 -16.159 1.00 0.00 N ATOM 321 CA GLU A 22 14.025 0.628 -16.487 1.00 0.00 C ATOM 322 C GLU A 22 12.867 0.048 -17.294 1.00 0.00 C ATOM 323 O GLU A 22 12.643 -1.162 -17.297 1.00 0.00 O ATOM 324 CB GLU A 22 14.232 -0.190 -15.211 1.00 0.00 C ATOM 325 CG GLU A 22 15.527 0.133 -14.484 1.00 0.00 C ATOM 326 CD GLU A 22 16.755 -0.168 -15.320 1.00 0.00 C ATOM 327 OE1 GLU A 22 16.924 -1.336 -15.729 1.00 0.00 O ATOM 328 OE2 GLU A 22 17.548 0.766 -15.566 1.00 0.00 O ATOM 0 H GLU A 22 13.048 2.176 -15.464 1.00 0.00 H new ATOM 0 HA GLU A 22 14.930 0.577 -17.093 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.393 -0.015 -14.537 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.222 -1.250 -15.464 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.530 1.187 -14.206 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.573 -0.441 -13.558 1.00 0.00 H new ATOM 335 N GLY A 23 12.134 0.921 -17.978 1.00 0.00 N ATOM 336 CA GLY A 23 11.008 0.477 -18.779 1.00 0.00 C ATOM 337 C GLY A 23 9.795 0.136 -17.936 1.00 0.00 C ATOM 338 O GLY A 23 8.888 -0.560 -18.393 1.00 0.00 O ATOM 0 H GLY A 23 12.300 1.927 -17.992 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.743 1.258 -19.492 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.301 -0.398 -19.359 1.00 0.00 H new ATOM 342 N PHE A 24 9.779 0.626 -16.701 1.00 0.00 N ATOM 343 CA PHE A 24 8.669 0.368 -15.790 1.00 0.00 C ATOM 344 C PHE A 24 8.193 1.659 -15.132 1.00 0.00 C ATOM 345 O PHE A 24 8.596 2.005 -14.021 1.00 0.00 O ATOM 346 CB PHE A 24 9.086 -0.641 -14.718 1.00 0.00 C ATOM 347 CG PHE A 24 9.696 -1.894 -15.278 1.00 0.00 C ATOM 348 CD1 PHE A 24 8.923 -2.800 -15.986 1.00 0.00 C ATOM 349 CD2 PHE A 24 11.043 -2.165 -15.098 1.00 0.00 C ATOM 350 CE1 PHE A 24 9.482 -3.954 -16.502 1.00 0.00 C ATOM 351 CE2 PHE A 24 11.607 -3.318 -15.612 1.00 0.00 C ATOM 352 CZ PHE A 24 10.826 -4.213 -16.316 1.00 0.00 C ATOM 0 H PHE A 24 10.522 1.204 -16.308 1.00 0.00 H new ATOM 0 HA PHE A 24 7.845 -0.048 -16.370 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.801 -0.168 -14.044 1.00 0.00 H new ATOM 0 HB3 PHE A 24 8.213 -0.907 -14.122 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.872 -2.602 -16.136 1.00 0.00 H new ATOM 0 HD2 PHE A 24 11.659 -1.468 -14.550 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.868 -4.653 -17.050 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.658 -3.518 -15.463 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.265 -5.113 -16.720 1.00 0.00 H new ATOM 362 N PRO A 25 7.315 2.391 -15.833 1.00 0.00 N ATOM 363 CA PRO A 25 6.765 3.657 -15.338 1.00 0.00 C ATOM 364 C PRO A 25 5.810 3.454 -14.166 1.00 0.00 C ATOM 365 O PRO A 25 5.556 2.325 -13.748 1.00 0.00 O ATOM 366 CB PRO A 25 6.014 4.216 -16.549 1.00 0.00 C ATOM 367 CG PRO A 25 5.667 3.019 -17.365 1.00 0.00 C ATOM 368 CD PRO A 25 6.791 2.040 -17.164 1.00 0.00 C ATOM 0 HA PRO A 25 7.543 4.320 -14.960 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.120 4.760 -16.244 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.634 4.913 -17.112 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.716 2.592 -17.046 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.562 3.282 -18.418 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.437 1.010 -17.198 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.554 2.140 -17.936 1.00 0.00 H new ATOM 376 N ALA A 26 5.282 4.555 -13.642 1.00 0.00 N ATOM 377 CA ALA A 26 4.353 4.498 -12.520 1.00 0.00 C ATOM 378 C ALA A 26 3.214 3.523 -12.801 1.00 0.00 C ATOM 379 O ALA A 26 2.593 3.567 -13.862 1.00 0.00 O ATOM 380 CB ALA A 26 3.802 5.884 -12.219 1.00 0.00 C ATOM 0 H ALA A 26 5.482 5.498 -13.977 1.00 0.00 H new ATOM 0 HA ALA A 26 4.898 4.139 -11.647 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.110 5.826 -11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.623 6.555 -11.967 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.278 6.265 -13.095 1.00 0.00 H new ATOM 386 N GLY A 27 2.944 2.643 -11.841 1.00 0.00 N ATOM 387 CA GLY A 27 1.880 1.670 -12.005 1.00 0.00 C ATOM 388 C GLY A 27 2.403 0.250 -12.105 1.00 0.00 C ATOM 389 O GLY A 27 1.770 -0.689 -11.622 1.00 0.00 O ATOM 0 H GLY A 27 3.443 2.587 -10.953 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.193 1.742 -11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.309 1.908 -12.903 1.00 0.00 H new ATOM 393 N THR A 28 3.563 0.092 -12.736 1.00 0.00 N ATOM 394 CA THR A 28 4.170 -1.223 -12.900 1.00 0.00 C ATOM 395 C THR A 28 4.272 -1.953 -11.566 1.00 0.00 C ATOM 396 O THR A 28 4.829 -1.428 -10.602 1.00 0.00 O ATOM 397 CB THR A 28 5.574 -1.120 -13.525 1.00 0.00 C ATOM 398 OG1 THR A 28 5.496 -0.478 -14.802 1.00 0.00 O ATOM 399 CG2 THR A 28 6.200 -2.498 -13.681 1.00 0.00 C ATOM 0 H THR A 28 4.100 0.858 -13.142 1.00 0.00 H new ATOM 0 HA THR A 28 3.522 -1.788 -13.571 1.00 0.00 H new ATOM 0 HB THR A 28 6.201 -0.527 -12.859 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.516 0.494 -14.681 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.191 -2.399 -14.124 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.286 -2.972 -12.703 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.573 -3.112 -14.328 1.00 0.00 H new ATOM 407 N ARG A 29 3.730 -3.166 -11.517 1.00 0.00 N ATOM 408 CA ARG A 29 3.760 -3.967 -10.299 1.00 0.00 C ATOM 409 C ARG A 29 5.032 -4.809 -10.234 1.00 0.00 C ATOM 410 O ARG A 29 5.442 -5.409 -11.227 1.00 0.00 O ATOM 411 CB ARG A 29 2.531 -4.875 -10.230 1.00 0.00 C ATOM 412 CG ARG A 29 1.232 -4.169 -10.584 1.00 0.00 C ATOM 413 CD ARG A 29 0.923 -3.048 -9.604 1.00 0.00 C ATOM 414 NE ARG A 29 -0.349 -2.396 -9.903 1.00 0.00 N ATOM 415 CZ ARG A 29 -1.532 -2.965 -9.700 1.00 0.00 C ATOM 416 NH1 ARG A 29 -1.604 -4.192 -9.201 1.00 0.00 N ATOM 417 NH2 ARG A 29 -2.646 -2.308 -9.996 1.00 0.00 N ATOM 0 H ARG A 29 3.265 -3.615 -12.306 1.00 0.00 H new ATOM 0 HA ARG A 29 3.750 -3.288 -9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.673 -5.717 -10.907 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.449 -5.286 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.300 -3.763 -11.593 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.414 -4.889 -10.585 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.896 -3.449 -8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.725 -2.310 -9.633 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.328 -1.452 -10.289 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.750 -4.700 -8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.513 -4.627 -9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.595 -1.364 -10.380 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.554 -2.746 -9.839 1.00 0.00 H new ATOM 431 N TRP A 30 5.649 -4.847 -9.059 1.00 0.00 N ATOM 432 CA TRP A 30 6.874 -5.614 -8.864 1.00 0.00 C ATOM 433 C TRP A 30 6.677 -7.069 -9.276 1.00 0.00 C ATOM 434 O TRP A 30 7.627 -7.748 -9.666 1.00 0.00 O ATOM 435 CB TRP A 30 7.319 -5.541 -7.402 1.00 0.00 C ATOM 436 CG TRP A 30 6.207 -5.793 -6.430 1.00 0.00 C ATOM 437 CD1 TRP A 30 5.428 -4.854 -5.814 1.00 0.00 C ATOM 438 CD2 TRP A 30 5.752 -7.066 -5.959 1.00 0.00 C ATOM 439 NE1 TRP A 30 4.516 -5.468 -4.990 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.693 -6.824 -5.061 1.00 0.00 C ATOM 441 CE3 TRP A 30 6.133 -8.387 -6.210 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.016 -7.855 -4.415 1.00 0.00 C ATOM 443 CZ3 TRP A 30 5.460 -9.408 -5.568 1.00 0.00 C ATOM 444 CH2 TRP A 30 4.411 -9.138 -4.680 1.00 0.00 C ATOM 0 H TRP A 30 5.322 -4.356 -8.227 1.00 0.00 H new ATOM 0 HA TRP A 30 7.649 -5.179 -9.495 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.111 -6.270 -7.234 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.745 -4.557 -7.208 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.516 -3.787 -5.954 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.819 -4.991 -4.418 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.940 -8.606 -6.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.208 -7.649 -3.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.748 -10.432 -5.754 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.904 -9.959 -4.195 1.00 0.00 H new ATOM 455 N ASP A 31 5.438 -7.541 -9.187 1.00 0.00 N ATOM 456 CA ASP A 31 5.116 -8.916 -9.552 1.00 0.00 C ATOM 457 C ASP A 31 5.112 -9.089 -11.068 1.00 0.00 C ATOM 458 O ASP A 31 5.402 -10.170 -11.579 1.00 0.00 O ATOM 459 CB ASP A 31 3.756 -9.313 -8.978 1.00 0.00 C ATOM 460 CG ASP A 31 3.509 -10.807 -9.054 1.00 0.00 C ATOM 461 OD1 ASP A 31 3.308 -11.319 -10.176 1.00 0.00 O ATOM 462 OD2 ASP A 31 3.518 -11.465 -7.993 1.00 0.00 O ATOM 0 H ASP A 31 4.641 -6.992 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 31 5.883 -9.567 -9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.695 -8.990 -7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.969 -8.790 -9.521 1.00 0.00 H new ATOM 467 N GLN A 32 4.781 -8.017 -11.780 1.00 0.00 N ATOM 468 CA GLN A 32 4.738 -8.051 -13.237 1.00 0.00 C ATOM 469 C GLN A 32 6.122 -8.327 -13.816 1.00 0.00 C ATOM 470 O GLN A 32 6.249 -8.801 -14.945 1.00 0.00 O ATOM 471 CB GLN A 32 4.198 -6.729 -13.784 1.00 0.00 C ATOM 472 CG GLN A 32 2.734 -6.486 -13.453 1.00 0.00 C ATOM 473 CD GLN A 32 1.799 -7.016 -14.522 1.00 0.00 C ATOM 474 OE1 GLN A 32 1.642 -6.410 -15.582 1.00 0.00 O ATOM 475 NE2 GLN A 32 1.171 -8.154 -14.249 1.00 0.00 N ATOM 0 H GLN A 32 4.539 -7.114 -11.372 1.00 0.00 H new ATOM 0 HA GLN A 32 4.071 -8.859 -13.537 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.794 -5.909 -13.383 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.324 -6.715 -14.867 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.497 -6.960 -12.501 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.567 -5.416 -13.327 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.330 -8.623 -13.358 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.529 -8.559 -14.931 1.00 0.00 H new ATOM 484 N ILE A 33 7.155 -8.027 -13.036 1.00 0.00 N ATOM 485 CA ILE A 33 8.529 -8.244 -13.472 1.00 0.00 C ATOM 486 C ILE A 33 8.726 -9.668 -13.981 1.00 0.00 C ATOM 487 O ILE A 33 8.310 -10.642 -13.353 1.00 0.00 O ATOM 488 CB ILE A 33 9.530 -7.976 -12.332 1.00 0.00 C ATOM 489 CG1 ILE A 33 9.349 -6.557 -11.789 1.00 0.00 C ATOM 490 CG2 ILE A 33 10.956 -8.184 -12.820 1.00 0.00 C ATOM 491 CD1 ILE A 33 9.594 -5.479 -12.821 1.00 0.00 C ATOM 0 H ILE A 33 7.067 -7.633 -12.099 1.00 0.00 H new ATOM 0 HA ILE A 33 8.717 -7.541 -14.284 1.00 0.00 H new ATOM 0 HB ILE A 33 9.336 -8.682 -11.524 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.336 -6.452 -11.399 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.030 -6.408 -10.951 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.652 -7.991 -12.003 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.077 -9.211 -13.164 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.163 -7.499 -13.642 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.448 -4.499 -12.366 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.615 -5.557 -13.193 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.896 -5.602 -13.649 1.00 0.00 H new ATOM 503 N PRO A 34 9.377 -9.794 -15.147 1.00 0.00 N ATOM 504 CA PRO A 34 9.646 -11.095 -15.766 1.00 0.00 C ATOM 505 C PRO A 34 10.679 -11.904 -14.989 1.00 0.00 C ATOM 506 O PRO A 34 11.806 -11.453 -14.781 1.00 0.00 O ATOM 507 CB PRO A 34 10.187 -10.724 -17.149 1.00 0.00 C ATOM 508 CG PRO A 34 10.758 -9.359 -16.979 1.00 0.00 C ATOM 509 CD PRO A 34 9.900 -8.676 -15.950 1.00 0.00 C ATOM 0 HA PRO A 34 8.757 -11.724 -15.796 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.946 -11.432 -17.480 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.396 -10.732 -17.899 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.796 -9.408 -16.651 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.747 -8.811 -17.921 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.478 -7.980 -15.342 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.097 -8.103 -16.413 1.00 0.00 H new ATOM 517 N ASP A 35 10.289 -13.100 -14.564 1.00 0.00 N ATOM 518 CA ASP A 35 11.183 -13.973 -13.811 1.00 0.00 C ATOM 519 C ASP A 35 12.306 -14.498 -14.700 1.00 0.00 C ATOM 520 O ASP A 35 13.326 -14.982 -14.208 1.00 0.00 O ATOM 521 CB ASP A 35 10.401 -15.143 -13.211 1.00 0.00 C ATOM 522 CG ASP A 35 9.928 -16.125 -14.265 1.00 0.00 C ATOM 523 OD1 ASP A 35 9.192 -15.702 -15.180 1.00 0.00 O ATOM 524 OD2 ASP A 35 10.294 -17.315 -14.174 1.00 0.00 O ATOM 0 H ASP A 35 9.360 -13.488 -14.728 1.00 0.00 H new ATOM 0 HA ASP A 35 11.626 -13.390 -13.004 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.030 -15.664 -12.489 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.540 -14.758 -12.665 1.00 0.00 H new ATOM 529 N ASP A 36 12.111 -14.400 -16.010 1.00 0.00 N ATOM 530 CA ASP A 36 13.107 -14.865 -16.968 1.00 0.00 C ATOM 531 C ASP A 36 13.999 -13.715 -17.426 1.00 0.00 C ATOM 532 O ASP A 36 14.504 -13.717 -18.549 1.00 0.00 O ATOM 533 CB ASP A 36 12.424 -15.509 -18.176 1.00 0.00 C ATOM 534 CG ASP A 36 12.043 -16.954 -17.923 1.00 0.00 C ATOM 535 OD1 ASP A 36 11.407 -17.226 -16.883 1.00 0.00 O ATOM 536 OD2 ASP A 36 12.382 -17.813 -18.764 1.00 0.00 O ATOM 0 H ASP A 36 11.272 -14.003 -16.433 1.00 0.00 H new ATOM 0 HA ASP A 36 13.730 -15.610 -16.473 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.530 -14.940 -18.430 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.091 -15.457 -19.037 1.00 0.00 H new ATOM 541 N TRP A 37 14.187 -12.734 -16.551 1.00 0.00 N ATOM 542 CA TRP A 37 15.016 -11.577 -16.866 1.00 0.00 C ATOM 543 C TRP A 37 16.471 -11.830 -16.486 1.00 0.00 C ATOM 544 O TRP A 37 16.758 -12.625 -15.590 1.00 0.00 O ATOM 545 CB TRP A 37 14.495 -10.336 -16.139 1.00 0.00 C ATOM 546 CG TRP A 37 14.817 -9.054 -16.846 1.00 0.00 C ATOM 547 CD1 TRP A 37 15.698 -8.093 -16.439 1.00 0.00 C ATOM 548 CD2 TRP A 37 14.260 -8.593 -18.082 1.00 0.00 C ATOM 549 NE1 TRP A 37 15.722 -7.063 -17.348 1.00 0.00 N ATOM 550 CE2 TRP A 37 14.850 -7.346 -18.365 1.00 0.00 C ATOM 551 CE3 TRP A 37 13.323 -9.114 -18.978 1.00 0.00 C ATOM 552 CZ2 TRP A 37 14.530 -6.613 -19.505 1.00 0.00 C ATOM 553 CZ3 TRP A 37 13.006 -8.385 -20.109 1.00 0.00 C ATOM 554 CH2 TRP A 37 13.609 -7.147 -20.365 1.00 0.00 C ATOM 0 H TRP A 37 13.776 -12.717 -15.617 1.00 0.00 H new ATOM 0 HA TRP A 37 14.965 -11.407 -17.941 1.00 0.00 H new ATOM 0 HB2 TRP A 37 13.414 -10.418 -16.025 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.920 -10.306 -15.136 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.289 -8.136 -15.536 1.00 0.00 H new ATOM 0 HE1 TRP A 37 16.297 -6.223 -17.277 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.855 -10.069 -18.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 14.992 -5.657 -19.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.281 -8.777 -20.807 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.342 -6.603 -21.259 1.00 0.00 H new ATOM 565 N CYS A 38 17.384 -11.150 -17.171 1.00 0.00 N ATOM 566 CA CYS A 38 18.810 -11.303 -16.904 1.00 0.00 C ATOM 567 C CYS A 38 19.429 -9.974 -16.482 1.00 0.00 C ATOM 568 O CYS A 38 19.345 -8.981 -17.206 1.00 0.00 O ATOM 569 CB CYS A 38 19.526 -11.843 -18.142 1.00 0.00 C ATOM 570 SG CYS A 38 19.193 -10.910 -19.654 1.00 0.00 S ATOM 0 H CYS A 38 17.163 -10.488 -17.915 1.00 0.00 H new ATOM 0 HA CYS A 38 18.928 -12.014 -16.086 1.00 0.00 H new ATOM 0 HB2 CYS A 38 20.600 -11.842 -17.957 1.00 0.00 H new ATOM 0 HB3 CYS A 38 19.230 -12.881 -18.296 1.00 0.00 H new ATOM 0 HG CYS A 38 19.070 -9.648 -19.367 1.00 0.00 H new ATOM 576 N CYS A 39 20.050 -9.964 -15.308 1.00 0.00 N ATOM 577 CA CYS A 39 20.682 -8.756 -14.788 1.00 0.00 C ATOM 578 C CYS A 39 22.178 -8.970 -14.585 1.00 0.00 C ATOM 579 O CYS A 39 22.665 -10.099 -14.514 1.00 0.00 O ATOM 580 CB CYS A 39 20.030 -8.341 -13.469 1.00 0.00 C ATOM 581 SG CYS A 39 18.878 -6.955 -13.618 1.00 0.00 S ATOM 0 H CYS A 39 20.130 -10.778 -14.698 1.00 0.00 H new ATOM 0 HA CYS A 39 20.543 -7.960 -15.519 1.00 0.00 H new ATOM 0 HB2 CYS A 39 19.499 -9.197 -13.053 1.00 0.00 H new ATOM 0 HB3 CYS A 39 20.812 -8.075 -12.758 1.00 0.00 H new ATOM 0 HG CYS A 39 17.840 -7.171 -12.866 1.00 0.00 H new ATOM 587 N PRO A 40 22.927 -7.861 -14.490 1.00 0.00 N ATOM 588 CA PRO A 40 24.380 -7.902 -14.295 1.00 0.00 C ATOM 589 C PRO A 40 24.764 -8.398 -12.905 1.00 0.00 C ATOM 590 O PRO A 40 25.605 -9.286 -12.764 1.00 0.00 O ATOM 591 CB PRO A 40 24.803 -6.442 -14.477 1.00 0.00 C ATOM 592 CG PRO A 40 23.589 -5.650 -14.134 1.00 0.00 C ATOM 593 CD PRO A 40 22.414 -6.483 -14.566 1.00 0.00 C ATOM 0 HA PRO A 40 24.865 -8.590 -14.987 1.00 0.00 H new ATOM 0 HB2 PRO A 40 25.639 -6.188 -13.825 1.00 0.00 H new ATOM 0 HB3 PRO A 40 25.126 -6.248 -15.500 1.00 0.00 H new ATOM 0 HG2 PRO A 40 23.548 -5.443 -13.065 1.00 0.00 H new ATOM 0 HG3 PRO A 40 23.594 -4.687 -14.645 1.00 0.00 H new ATOM 0 HD2 PRO A 40 21.555 -6.337 -13.911 1.00 0.00 H new ATOM 0 HD3 PRO A 40 22.091 -6.229 -15.576 1.00 0.00 H new ATOM 601 N ASP A 41 24.143 -7.820 -11.883 1.00 0.00 N ATOM 602 CA ASP A 41 24.419 -8.205 -10.504 1.00 0.00 C ATOM 603 C ASP A 41 23.621 -9.445 -10.116 1.00 0.00 C ATOM 604 O ASP A 41 24.174 -10.412 -9.589 1.00 0.00 O ATOM 605 CB ASP A 41 24.089 -7.052 -9.554 1.00 0.00 C ATOM 606 CG ASP A 41 25.330 -6.430 -8.945 1.00 0.00 C ATOM 607 OD1 ASP A 41 26.295 -7.174 -8.676 1.00 0.00 O ATOM 608 OD2 ASP A 41 25.335 -5.199 -8.736 1.00 0.00 O ATOM 0 H ASP A 41 23.445 -7.083 -11.983 1.00 0.00 H new ATOM 0 HA ASP A 41 25.481 -8.439 -10.424 1.00 0.00 H new ATOM 0 HB2 ASP A 41 23.531 -6.288 -10.095 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.440 -7.416 -8.757 1.00 0.00 H new ATOM 613 N CYS A 42 22.319 -9.411 -10.378 1.00 0.00 N ATOM 614 CA CYS A 42 21.444 -10.532 -10.055 1.00 0.00 C ATOM 615 C CYS A 42 21.936 -11.814 -10.717 1.00 0.00 C ATOM 616 O CYS A 42 21.625 -12.917 -10.265 1.00 0.00 O ATOM 617 CB CYS A 42 20.011 -10.231 -10.498 1.00 0.00 C ATOM 618 SG CYS A 42 18.762 -11.276 -9.713 1.00 0.00 S ATOM 0 H CYS A 42 21.846 -8.619 -10.813 1.00 0.00 H new ATOM 0 HA CYS A 42 21.460 -10.674 -8.974 1.00 0.00 H new ATOM 0 HB2 CYS A 42 19.786 -9.187 -10.279 1.00 0.00 H new ATOM 0 HB3 CYS A 42 19.943 -10.352 -11.579 1.00 0.00 H new ATOM 0 HG CYS A 42 19.342 -12.114 -8.906 1.00 0.00 H new ATOM 624 N SER A 43 22.703 -11.663 -11.792 1.00 0.00 N ATOM 625 CA SER A 43 23.233 -12.809 -12.520 1.00 0.00 C ATOM 626 C SER A 43 23.921 -13.785 -11.571 1.00 0.00 C ATOM 627 O SER A 43 23.939 -14.993 -11.809 1.00 0.00 O ATOM 628 CB SER A 43 24.218 -12.346 -13.595 1.00 0.00 C ATOM 629 OG SER A 43 25.271 -13.281 -13.760 1.00 0.00 O ATOM 0 H SER A 43 22.971 -10.758 -12.178 1.00 0.00 H new ATOM 0 HA SER A 43 22.398 -13.322 -12.998 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.693 -12.214 -14.541 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.630 -11.375 -13.321 1.00 0.00 H new ATOM 0 HG SER A 43 25.886 -12.962 -14.454 1.00 0.00 H new ATOM 635 N VAL A 44 24.487 -13.253 -10.493 1.00 0.00 N ATOM 636 CA VAL A 44 25.176 -14.076 -9.506 1.00 0.00 C ATOM 637 C VAL A 44 24.397 -14.131 -8.196 1.00 0.00 C ATOM 638 O VAL A 44 24.623 -15.010 -7.364 1.00 0.00 O ATOM 639 CB VAL A 44 26.595 -13.545 -9.224 1.00 0.00 C ATOM 640 CG1 VAL A 44 26.534 -12.141 -8.642 1.00 0.00 C ATOM 641 CG2 VAL A 44 27.340 -14.487 -8.290 1.00 0.00 C ATOM 0 H VAL A 44 24.482 -12.255 -10.281 1.00 0.00 H new ATOM 0 HA VAL A 44 25.248 -15.079 -9.926 1.00 0.00 H new ATOM 0 HB VAL A 44 27.141 -13.498 -10.166 1.00 0.00 H new ATOM 0 HG11 VAL A 44 27.545 -11.783 -8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 44 26.042 -11.475 -9.350 1.00 0.00 H new ATOM 0 HG13 VAL A 44 25.971 -12.158 -7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 44 28.340 -14.097 -8.102 1.00 0.00 H new ATOM 0 HG22 VAL A 44 26.799 -14.568 -7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 44 27.416 -15.472 -8.751 1.00 0.00 H new ATOM 651 N ARG A 45 23.478 -13.187 -8.021 1.00 0.00 N ATOM 652 CA ARG A 45 22.665 -13.128 -6.812 1.00 0.00 C ATOM 653 C ARG A 45 21.249 -13.626 -7.085 1.00 0.00 C ATOM 654 O ARG A 45 20.535 -13.070 -7.919 1.00 0.00 O ATOM 655 CB ARG A 45 22.619 -11.697 -6.273 1.00 0.00 C ATOM 656 CG ARG A 45 23.404 -11.506 -4.985 1.00 0.00 C ATOM 657 CD ARG A 45 24.898 -11.416 -5.252 1.00 0.00 C ATOM 658 NE ARG A 45 25.651 -12.412 -4.494 1.00 0.00 N ATOM 659 CZ ARG A 45 26.978 -12.459 -4.457 1.00 0.00 C ATOM 660 NH1 ARG A 45 27.695 -11.570 -5.130 1.00 0.00 N ATOM 661 NH2 ARG A 45 27.590 -13.396 -3.744 1.00 0.00 N ATOM 0 H ARG A 45 23.278 -12.453 -8.701 1.00 0.00 H new ATOM 0 HA ARG A 45 23.122 -13.776 -6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 45 23.011 -11.019 -7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.580 -11.416 -6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.068 -10.599 -4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 45 23.203 -12.337 -4.309 1.00 0.00 H new ATOM 0 HD2 ARG A 45 25.085 -11.554 -6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 45 25.253 -10.419 -4.993 1.00 0.00 H new ATOM 0 HE ARG A 45 25.129 -13.110 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 45 27.228 -10.848 -5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 45 28.714 -11.608 -5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 45 27.041 -14.081 -3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 45 28.609 -13.431 -3.716 1.00 0.00 H new ATOM 675 N GLU A 46 20.850 -14.678 -6.376 1.00 0.00 N ATOM 676 CA GLU A 46 19.519 -15.251 -6.543 1.00 0.00 C ATOM 677 C GLU A 46 18.444 -14.174 -6.425 1.00 0.00 C ATOM 678 O GLU A 46 18.546 -13.266 -5.600 1.00 0.00 O ATOM 679 CB GLU A 46 19.277 -16.345 -5.501 1.00 0.00 C ATOM 680 CG GLU A 46 18.470 -17.520 -6.029 1.00 0.00 C ATOM 681 CD GLU A 46 19.250 -18.366 -7.016 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.381 -17.974 -7.369 1.00 0.00 O ATOM 683 OE2 GLU A 46 18.728 -19.421 -7.436 1.00 0.00 O ATOM 0 H GLU A 46 21.429 -15.150 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 46 19.462 -15.689 -7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 46 20.238 -16.709 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.757 -15.912 -4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.153 -18.143 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.566 -17.148 -6.510 1.00 0.00 H new ATOM 690 N LYS A 47 17.414 -14.282 -7.258 1.00 0.00 N ATOM 691 CA LYS A 47 16.319 -13.320 -7.249 1.00 0.00 C ATOM 692 C LYS A 47 15.629 -13.294 -5.889 1.00 0.00 C ATOM 693 O LYS A 47 14.968 -12.317 -5.535 1.00 0.00 O ATOM 694 CB LYS A 47 15.303 -13.662 -8.341 1.00 0.00 C ATOM 695 CG LYS A 47 14.392 -12.504 -8.709 1.00 0.00 C ATOM 696 CD LYS A 47 13.986 -12.556 -10.172 1.00 0.00 C ATOM 697 CE LYS A 47 12.696 -11.789 -10.420 1.00 0.00 C ATOM 698 NZ LYS A 47 11.505 -12.531 -9.922 1.00 0.00 N ATOM 0 H LYS A 47 17.315 -15.027 -7.948 1.00 0.00 H new ATOM 0 HA LYS A 47 16.735 -12.332 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.837 -13.990 -9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.693 -14.501 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.501 -12.528 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.900 -11.561 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.783 -12.138 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.858 -13.594 -10.479 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.751 -10.818 -9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.586 -11.600 -11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.640 -12.082 -10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.548 -13.517 -10.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.495 -12.513 -8.882 1.00 0.00 H new ATOM 712 N VAL A 48 15.787 -14.373 -5.129 1.00 0.00 N ATOM 713 CA VAL A 48 15.181 -14.473 -3.807 1.00 0.00 C ATOM 714 C VAL A 48 15.823 -13.491 -2.833 1.00 0.00 C ATOM 715 O VAL A 48 15.308 -13.260 -1.739 1.00 0.00 O ATOM 716 CB VAL A 48 15.306 -15.899 -3.238 1.00 0.00 C ATOM 717 CG1 VAL A 48 16.762 -16.234 -2.953 1.00 0.00 C ATOM 718 CG2 VAL A 48 14.461 -16.047 -1.982 1.00 0.00 C ATOM 0 H VAL A 48 16.330 -15.191 -5.407 1.00 0.00 H new ATOM 0 HA VAL A 48 14.125 -14.228 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 48 14.935 -16.603 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.831 -17.245 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 48 17.338 -16.170 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 48 17.162 -15.527 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.561 -17.060 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.800 -15.335 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 48 13.416 -15.852 -2.222 1.00 0.00 H new ATOM 728 N ASP A 49 16.950 -12.915 -3.238 1.00 0.00 N ATOM 729 CA ASP A 49 17.662 -11.956 -2.402 1.00 0.00 C ATOM 730 C ASP A 49 16.804 -10.723 -2.137 1.00 0.00 C ATOM 731 O ASP A 49 16.975 -10.040 -1.128 1.00 0.00 O ATOM 732 CB ASP A 49 18.977 -11.545 -3.067 1.00 0.00 C ATOM 733 CG ASP A 49 19.962 -10.948 -2.082 1.00 0.00 C ATOM 734 OD1 ASP A 49 19.577 -10.012 -1.350 1.00 0.00 O ATOM 735 OD2 ASP A 49 21.119 -11.417 -2.043 1.00 0.00 O ATOM 0 H ASP A 49 17.390 -13.096 -4.140 1.00 0.00 H new ATOM 0 HA ASP A 49 17.881 -12.435 -1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.427 -12.416 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 49 18.771 -10.821 -3.855 1.00 0.00 H new ATOM 740 N PHE A 50 15.881 -10.444 -3.051 1.00 0.00 N ATOM 741 CA PHE A 50 14.997 -9.292 -2.918 1.00 0.00 C ATOM 742 C PHE A 50 14.167 -9.388 -1.641 1.00 0.00 C ATOM 743 O PHE A 50 13.445 -10.361 -1.430 1.00 0.00 O ATOM 744 CB PHE A 50 14.072 -9.188 -4.133 1.00 0.00 C ATOM 745 CG PHE A 50 14.659 -8.395 -5.266 1.00 0.00 C ATOM 746 CD1 PHE A 50 14.784 -7.019 -5.174 1.00 0.00 C ATOM 747 CD2 PHE A 50 15.085 -9.027 -6.424 1.00 0.00 C ATOM 748 CE1 PHE A 50 15.323 -6.287 -6.216 1.00 0.00 C ATOM 749 CE2 PHE A 50 15.625 -8.301 -7.468 1.00 0.00 C ATOM 750 CZ PHE A 50 15.745 -6.929 -7.364 1.00 0.00 C ATOM 0 H PHE A 50 15.726 -11.000 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 50 15.616 -8.396 -2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.835 -10.192 -4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.133 -8.728 -3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.457 -6.512 -4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.994 -10.100 -6.511 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.414 -5.214 -6.132 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.953 -8.806 -8.365 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.168 -6.359 -8.178 1.00 0.00 H new ATOM 760 N GLU A 51 14.277 -8.370 -0.793 1.00 0.00 N ATOM 761 CA GLU A 51 13.539 -8.340 0.464 1.00 0.00 C ATOM 762 C GLU A 51 12.448 -7.274 0.428 1.00 0.00 C ATOM 763 O GLU A 51 12.668 -6.160 -0.048 1.00 0.00 O ATOM 764 CB GLU A 51 14.489 -8.074 1.633 1.00 0.00 C ATOM 765 CG GLU A 51 15.686 -9.009 1.670 1.00 0.00 C ATOM 766 CD GLU A 51 16.246 -9.186 3.068 1.00 0.00 C ATOM 767 OE1 GLU A 51 16.605 -8.169 3.697 1.00 0.00 O ATOM 768 OE2 GLU A 51 16.324 -10.343 3.533 1.00 0.00 O ATOM 0 H GLU A 51 14.870 -7.556 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 51 13.068 -9.313 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.844 -7.045 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.936 -8.168 2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.395 -9.982 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.467 -8.619 1.017 1.00 0.00 H new ATOM 775 N ARG A 52 11.270 -7.623 0.936 1.00 0.00 N ATOM 776 CA ARG A 52 10.144 -6.698 0.961 1.00 0.00 C ATOM 777 C ARG A 52 10.140 -5.881 2.250 1.00 0.00 C ATOM 778 O ARG A 52 10.453 -6.395 3.323 1.00 0.00 O ATOM 779 CB ARG A 52 8.825 -7.462 0.825 1.00 0.00 C ATOM 780 CG ARG A 52 8.445 -8.246 2.070 1.00 0.00 C ATOM 781 CD ARG A 52 7.161 -9.034 1.862 1.00 0.00 C ATOM 782 NE ARG A 52 6.836 -9.866 3.017 1.00 0.00 N ATOM 783 CZ ARG A 52 5.962 -10.866 2.980 1.00 0.00 C ATOM 784 NH1 ARG A 52 5.330 -11.157 1.852 1.00 0.00 N ATOM 785 NH2 ARG A 52 5.719 -11.578 4.074 1.00 0.00 N ATOM 0 H ARG A 52 11.071 -8.540 1.336 1.00 0.00 H new ATOM 0 HA ARG A 52 10.249 -6.015 0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.028 -6.756 0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.898 -8.149 -0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.253 -8.928 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.321 -7.561 2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.339 -8.344 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.262 -9.664 0.978 1.00 0.00 H new ATOM 0 HE ARG A 52 7.306 -9.669 3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.514 -10.613 1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.660 -11.925 1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.203 -11.357 4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.048 -12.345 4.044 1.00 0.00 H new ATOM 799 N MET A 53 9.784 -4.606 2.135 1.00 0.00 N ATOM 800 CA MET A 53 9.739 -3.718 3.291 1.00 0.00 C ATOM 801 C MET A 53 8.352 -3.104 3.452 1.00 0.00 C ATOM 802 O MET A 53 7.476 -3.297 2.610 1.00 0.00 O ATOM 803 CB MET A 53 10.786 -2.612 3.152 1.00 0.00 C ATOM 804 CG MET A 53 12.214 -3.131 3.085 1.00 0.00 C ATOM 805 SD MET A 53 12.963 -3.315 4.715 1.00 0.00 S ATOM 806 CE MET A 53 13.489 -1.634 5.038 1.00 0.00 C ATOM 0 H MET A 53 9.523 -4.165 1.253 1.00 0.00 H new ATOM 0 HA MET A 53 9.960 -4.309 4.180 1.00 0.00 H new ATOM 0 HB2 MET A 53 10.575 -2.035 2.252 1.00 0.00 H new ATOM 0 HB3 MET A 53 10.696 -1.929 3.997 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.223 -4.094 2.574 1.00 0.00 H new ATOM 0 HG3 MET A 53 12.817 -2.448 2.487 1.00 0.00 H new ATOM 0 HE1 MET A 53 13.972 -1.585 6.014 1.00 0.00 H new ATOM 0 HE2 MET A 53 14.193 -1.319 4.268 1.00 0.00 H new ATOM 0 HE3 MET A 53 12.622 -0.973 5.029 1.00 0.00 H new