USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 498 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+ 172:sc= 0 (180deg=-0.0846) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -57:sc= 0.155 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 76:sc= 0.546 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -140:sc= 0.61 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 172:sc= 1.21 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00751 USER MOD Single : A 58 THR OG1 : rot -51:sc= 1.28 USER MOD Single : A 59 TYR OH : rot 24:sc= 1.22 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0229 (180deg=-0.312) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.084 15.621 20.756 1.00 25.00 N ATOM 2 CA ALA A 1 1.310 15.085 20.116 1.00 25.00 C ATOM 3 C ALA A 1 1.120 13.710 19.464 1.00 25.00 C ATOM 4 O ALA A 1 1.930 12.809 19.527 1.00 25.00 O ATOM 5 CB ALA A 1 2.416 15.053 21.187 1.00 25.00 C ATOM 0 H1 ALA A 1 0.319 16.483 21.289 1.00 25.00 H new ATOM 0 H2 ALA A 1 -0.619 15.848 20.024 1.00 25.00 H new ATOM 0 H3 ALA A 1 -0.309 14.909 21.405 1.00 25.00 H new ATOM 0 HA ALA A 1 1.584 15.740 19.289 1.00 25.00 H new ATOM 0 HB1 ALA A 1 3.335 14.663 20.750 1.00 25.00 H new ATOM 0 HB2 ALA A 1 2.591 16.062 21.559 1.00 25.00 H new ATOM 0 HB3 ALA A 1 2.106 14.411 22.011 1.00 25.00 H new ATOM 10 N TYR A 2 -0.051 13.559 18.853 1.00 25.00 N ATOM 11 CA TYR A 2 -0.420 12.311 18.189 1.00 25.00 C ATOM 12 C TYR A 2 0.361 12.147 16.886 1.00 25.00 C ATOM 13 O TYR A 2 0.760 13.128 16.248 1.00 25.00 O ATOM 14 CB TYR A 2 -1.926 12.278 17.913 1.00 25.00 C ATOM 15 CG TYR A 2 -2.427 10.897 17.518 1.00 25.00 C ATOM 16 CD1 TYR A 2 -2.810 10.617 16.190 1.00 25.00 C ATOM 17 CD2 TYR A 2 -2.515 9.865 18.478 1.00 25.00 C ATOM 18 CE1 TYR A 2 -3.272 9.318 15.825 1.00 25.00 C ATOM 19 CE2 TYR A 2 -2.967 8.568 18.112 1.00 25.00 C ATOM 20 CZ TYR A 2 -3.337 8.308 16.787 1.00 25.00 C ATOM 21 OH TYR A 2 -3.763 7.051 16.436 1.00 25.00 O ATOM 0 H TYR A 2 -0.763 14.287 18.803 1.00 25.00 H new ATOM 0 HA TYR A 2 -0.169 11.482 18.850 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -2.460 12.612 18.802 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -2.160 12.985 17.117 1.00 25.00 H new ATOM 0 HD1 TYR A 2 -2.753 11.394 15.442 1.00 25.00 H new ATOM 0 HD2 TYR A 2 -2.236 10.064 19.502 1.00 25.00 H new ATOM 0 HE1 TYR A 2 -3.571 9.116 14.807 1.00 25.00 H new ATOM 0 HE2 TYR A 2 -3.025 7.785 18.854 1.00 25.00 H new ATOM 0 HH TYR A 2 -3.747 6.468 17.224 1.00 25.00 H new ATOM 31 N ARG A 3 0.574 10.899 16.495 1.00 25.00 N ATOM 32 CA ARG A 3 1.332 10.579 15.282 1.00 25.00 C ATOM 33 C ARG A 3 0.687 11.149 13.999 1.00 25.00 C ATOM 34 O ARG A 3 -0.532 11.182 13.863 1.00 25.00 O ATOM 35 CB ARG A 3 1.464 9.055 15.121 1.00 25.00 C ATOM 36 CG ARG A 3 0.122 8.301 15.146 1.00 25.00 C ATOM 37 CD ARG A 3 0.158 6.993 14.375 1.00 25.00 C ATOM 38 NE ARG A 3 0.224 7.228 12.924 1.00 25.00 N ATOM 39 CZ ARG A 3 -0.008 6.323 11.982 1.00 25.00 C ATOM 40 NH1 ARG A 3 -0.334 5.082 12.250 1.00 25.00 N ATOM 41 NH2 ARG A 3 0.086 6.682 10.737 1.00 25.00 N ATOM 0 H ARG A 3 0.232 10.082 17.001 1.00 25.00 H new ATOM 0 HA ARG A 3 2.310 11.044 15.406 1.00 25.00 H new ATOM 0 HB2 ARG A 3 1.970 8.843 14.179 1.00 25.00 H new ATOM 0 HB3 ARG A 3 2.100 8.670 15.918 1.00 25.00 H new ATOM 0 HG2 ARG A 3 -0.155 8.098 16.181 1.00 25.00 H new ATOM 0 HG3 ARG A 3 -0.655 8.941 14.728 1.00 25.00 H new ATOM 0 HD2 ARG A 3 1.021 6.407 14.690 1.00 25.00 H new ATOM 0 HD3 ARG A 3 -0.729 6.405 14.610 1.00 25.00 H new ATOM 0 HE ARG A 3 0.470 8.169 12.615 1.00 25.00 H new ATOM 0 HH11 ARG A 3 -0.419 4.775 13.219 1.00 25.00 H new ATOM 0 HH12 ARG A 3 -0.502 4.423 11.490 1.00 25.00 H new ATOM 0 HH21 ARG A 3 0.334 7.643 10.501 1.00 25.00 H new ATOM 0 HH22 ARG A 3 -0.088 6.003 9.996 1.00 25.00 H new ATOM 55 N PRO A 4 1.516 11.535 13.010 1.00 25.00 N ATOM 56 CA PRO A 4 0.961 11.958 11.726 1.00 25.00 C ATOM 57 C PRO A 4 0.587 10.740 10.873 1.00 25.00 C ATOM 58 O PRO A 4 0.865 9.596 11.255 1.00 25.00 O ATOM 59 CB PRO A 4 2.124 12.728 11.098 1.00 25.00 C ATOM 60 CG PRO A 4 3.317 11.978 11.566 1.00 25.00 C ATOM 61 CD PRO A 4 2.991 11.581 12.992 1.00 25.00 C ATOM 0 HA PRO A 4 0.049 12.549 11.816 1.00 25.00 H new ATOM 0 HB2 PRO A 4 2.058 12.741 10.010 1.00 25.00 H new ATOM 0 HB3 PRO A 4 2.145 13.766 11.429 1.00 25.00 H new ATOM 0 HG2 PRO A 4 3.502 11.102 10.944 1.00 25.00 H new ATOM 0 HG3 PRO A 4 4.214 12.595 11.523 1.00 25.00 H new ATOM 0 HD2 PRO A 4 3.426 10.615 13.249 1.00 25.00 H new ATOM 0 HD3 PRO A 4 3.378 12.305 13.709 1.00 25.00 H new ATOM 69 N SER A 5 0.009 10.980 9.701 1.00 25.00 N ATOM 70 CA SER A 5 -0.299 9.884 8.770 1.00 25.00 C ATOM 71 C SER A 5 -0.141 10.339 7.320 1.00 25.00 C ATOM 72 O SER A 5 -0.939 9.997 6.466 1.00 25.00 O ATOM 73 CB SER A 5 -1.721 9.371 9.013 1.00 25.00 C ATOM 74 OG SER A 5 -1.903 8.114 8.383 1.00 25.00 O ATOM 0 H SER A 5 -0.255 11.908 9.370 1.00 25.00 H new ATOM 0 HA SER A 5 0.407 9.073 8.950 1.00 25.00 H new ATOM 0 HB2 SER A 5 -1.904 9.279 10.084 1.00 25.00 H new ATOM 0 HB3 SER A 5 -2.445 10.088 8.626 1.00 25.00 H new ATOM 0 HG SER A 5 -1.719 8.199 7.424 1.00 25.00 H new ATOM 80 N GLU A 6 0.873 11.151 7.071 1.00 25.00 N ATOM 81 CA GLU A 6 1.136 11.667 5.724 1.00 25.00 C ATOM 82 C GLU A 6 2.055 10.731 4.957 1.00 25.00 C ATOM 83 O GLU A 6 1.964 10.593 3.737 1.00 25.00 O ATOM 84 CB GLU A 6 1.807 13.034 5.803 1.00 25.00 C ATOM 85 CG GLU A 6 0.977 14.073 6.537 1.00 25.00 C ATOM 86 CD GLU A 6 1.637 15.424 6.551 1.00 25.00 C ATOM 87 OE1 GLU A 6 2.821 15.582 6.475 1.00 25.00 O ATOM 88 OE2 GLU A 6 0.802 16.403 6.671 1.00 25.00 O ATOM 0 H GLU A 6 1.532 11.471 7.780 1.00 25.00 H new ATOM 0 HA GLU A 6 0.179 11.746 5.209 1.00 25.00 H new ATOM 0 HB2 GLU A 6 2.770 12.929 6.303 1.00 25.00 H new ATOM 0 HB3 GLU A 6 2.010 13.390 4.793 1.00 25.00 H new ATOM 0 HG2 GLU A 6 -0.001 14.154 6.063 1.00 25.00 H new ATOM 0 HG3 GLU A 6 0.809 13.743 7.562 1.00 25.00 H new ATOM 96 N THR A 7 2.971 10.119 5.691 1.00 25.00 N ATOM 97 CA THR A 7 3.969 9.228 5.120 1.00 25.00 C ATOM 98 C THR A 7 4.010 7.936 5.907 1.00 25.00 C ATOM 99 O THR A 7 3.581 7.885 7.062 1.00 25.00 O ATOM 100 CB THR A 7 5.370 9.879 5.150 1.00 25.00 C ATOM 101 OG1 THR A 7 5.634 10.394 6.460 1.00 25.00 O ATOM 102 CG2 THR A 7 5.465 11.035 4.173 1.00 25.00 C ATOM 0 H THR A 7 3.044 10.227 6.703 1.00 25.00 H new ATOM 0 HA THR A 7 3.694 9.028 4.084 1.00 25.00 H new ATOM 0 HB THR A 7 6.093 9.111 4.875 1.00 25.00 H new ATOM 0 HG1 THR A 7 6.524 10.805 6.477 1.00 25.00 H new ATOM 0 HG21 THR A 7 6.463 11.470 4.220 1.00 25.00 H new ATOM 0 HG22 THR A 7 5.274 10.674 3.162 1.00 25.00 H new ATOM 0 HG23 THR A 7 4.726 11.793 4.433 1.00 25.00 H new ATOM 110 N LEU A 8 4.513 6.893 5.262 1.00 25.00 N ATOM 111 CA LEU A 8 4.611 5.564 5.840 1.00 25.00 C ATOM 112 C LEU A 8 5.902 4.935 5.374 1.00 25.00 C ATOM 113 O LEU A 8 6.245 5.022 4.204 1.00 25.00 O ATOM 114 CB LEU A 8 3.476 4.697 5.331 1.00 25.00 C ATOM 115 CG LEU A 8 2.064 5.061 5.750 1.00 25.00 C ATOM 116 CD1 LEU A 8 1.097 4.395 4.819 1.00 25.00 C ATOM 117 CD2 LEU A 8 1.792 4.680 7.204 1.00 25.00 C ATOM 0 H LEU A 8 4.869 6.949 4.308 1.00 25.00 H new ATOM 0 HA LEU A 8 4.570 5.641 6.927 1.00 25.00 H new ATOM 0 HB2 LEU A 8 3.514 4.702 4.242 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.667 3.673 5.652 1.00 25.00 H new ATOM 0 HG LEU A 8 1.940 6.142 5.687 1.00 25.00 H new ATOM 0 HD11 LEU A 8 0.078 4.649 5.110 1.00 25.00 H new ATOM 0 HD12 LEU A 8 1.279 4.736 3.800 1.00 25.00 H new ATOM 0 HD13 LEU A 8 1.230 3.314 4.869 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.771 4.956 7.468 1.00 25.00 H new ATOM 0 HD22 LEU A 8 1.921 3.605 7.329 1.00 25.00 H new ATOM 0 HD23 LEU A 8 2.490 5.207 7.855 1.00 25.00 H new ATOM 129 N CYS A 9 6.587 4.246 6.267 1.00 25.00 N ATOM 130 CA CYS A 9 7.834 3.567 5.900 1.00 25.00 C ATOM 131 C CYS A 9 7.828 2.131 6.424 1.00 25.00 C ATOM 132 O CYS A 9 6.761 1.560 6.611 1.00 25.00 O ATOM 133 CB CYS A 9 9.042 4.362 6.394 1.00 25.00 C ATOM 134 SG CYS A 9 10.381 4.446 5.151 1.00 25.00 S ATOM 0 H CYS A 9 6.313 4.137 7.243 1.00 25.00 H new ATOM 0 HA CYS A 9 7.910 3.515 4.814 1.00 25.00 H new ATOM 0 HB2 CYS A 9 8.727 5.373 6.652 1.00 25.00 H new ATOM 0 HB3 CYS A 9 9.426 3.905 7.306 1.00 25.00 H new ATOM 139 N GLY A 10 8.999 1.529 6.608 1.00 25.00 N ATOM 140 CA GLY A 10 9.086 0.129 7.019 1.00 25.00 C ATOM 141 C GLY A 10 8.134 -0.261 8.140 1.00 25.00 C ATOM 142 O GLY A 10 8.007 0.449 9.134 1.00 25.00 O ATOM 0 H GLY A 10 9.901 1.987 6.479 1.00 25.00 H new ATOM 0 HA2 GLY A 10 8.886 -0.503 6.154 1.00 25.00 H new ATOM 0 HA3 GLY A 10 10.107 -0.080 7.338 1.00 25.00 H new ATOM 146 N GLY A 11 7.424 -1.368 7.950 1.00 25.00 N ATOM 147 CA GLY A 11 6.438 -1.829 8.919 1.00 25.00 C ATOM 148 C GLY A 11 5.109 -1.098 8.825 1.00 25.00 C ATOM 149 O GLY A 11 4.086 -1.711 8.587 1.00 25.00 O ATOM 0 H GLY A 11 7.515 -1.965 7.128 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.268 -2.896 8.773 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.842 -1.705 9.924 1.00 25.00 H new ATOM 153 N GLU A 12 5.128 0.218 8.970 1.00 25.00 N ATOM 154 CA GLU A 12 3.904 1.035 8.942 1.00 25.00 C ATOM 155 C GLU A 12 3.212 1.005 7.585 1.00 25.00 C ATOM 156 O GLU A 12 1.992 0.983 7.484 1.00 25.00 O ATOM 157 CB GLU A 12 4.261 2.480 9.273 1.00 25.00 C ATOM 158 CG GLU A 12 4.910 2.657 10.639 1.00 25.00 C ATOM 159 CD GLU A 12 5.346 4.065 10.888 1.00 25.00 C ATOM 160 OE1 GLU A 12 5.740 4.796 10.020 1.00 25.00 O ATOM 161 OE2 GLU A 12 5.268 4.418 12.131 1.00 25.00 O ATOM 0 H GLU A 12 5.983 0.756 9.110 1.00 25.00 H new ATOM 0 HA GLU A 12 3.217 0.616 9.677 1.00 25.00 H new ATOM 0 HB2 GLU A 12 4.937 2.861 8.508 1.00 25.00 H new ATOM 0 HB3 GLU A 12 3.356 3.087 9.230 1.00 25.00 H new ATOM 0 HG2 GLU A 12 4.205 2.356 11.414 1.00 25.00 H new ATOM 0 HG3 GLU A 12 5.772 1.994 10.717 1.00 25.00 H new ATOM 168 N LEU A 13 4.002 1.013 6.525 1.00 25.00 N ATOM 169 CA LEU A 13 3.470 0.979 5.174 1.00 25.00 C ATOM 170 C LEU A 13 2.833 -0.376 4.919 1.00 25.00 C ATOM 171 O LEU A 13 1.820 -0.484 4.265 1.00 25.00 O ATOM 172 CB LEU A 13 4.613 1.198 4.184 1.00 25.00 C ATOM 173 CG LEU A 13 4.278 1.179 2.692 1.00 25.00 C ATOM 174 CD1 LEU A 13 3.106 2.083 2.341 1.00 25.00 C ATOM 175 CD2 LEU A 13 5.532 1.624 1.951 1.00 25.00 C ATOM 0 H LEU A 13 5.020 1.043 6.575 1.00 25.00 H new ATOM 0 HA LEU A 13 2.721 1.761 5.051 1.00 25.00 H new ATOM 0 HB2 LEU A 13 5.073 2.159 4.412 1.00 25.00 H new ATOM 0 HB3 LEU A 13 5.367 0.432 4.368 1.00 25.00 H new ATOM 0 HG LEU A 13 3.974 0.173 2.403 1.00 25.00 H new ATOM 0 HD11 LEU A 13 2.913 2.030 1.269 1.00 25.00 H new ATOM 0 HD12 LEU A 13 2.220 1.758 2.886 1.00 25.00 H new ATOM 0 HD13 LEU A 13 3.344 3.111 2.616 1.00 25.00 H new ATOM 0 HD21 LEU A 13 5.339 1.626 0.878 1.00 25.00 H new ATOM 0 HD22 LEU A 13 5.807 2.629 2.272 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.348 0.936 2.172 1.00 25.00 H new ATOM 187 N VAL A 14 3.453 -1.410 5.459 1.00 25.00 N ATOM 188 CA VAL A 14 2.980 -2.785 5.297 1.00 25.00 C ATOM 189 C VAL A 14 1.678 -2.982 6.077 1.00 25.00 C ATOM 190 O VAL A 14 0.753 -3.609 5.583 1.00 25.00 O ATOM 191 CB VAL A 14 4.074 -3.799 5.768 1.00 25.00 C ATOM 192 CG1 VAL A 14 3.561 -5.238 5.684 1.00 25.00 C ATOM 193 CG2 VAL A 14 5.339 -3.644 4.891 1.00 25.00 C ATOM 0 H VAL A 14 4.299 -1.327 6.023 1.00 25.00 H new ATOM 0 HA VAL A 14 2.783 -2.972 4.241 1.00 25.00 H new ATOM 0 HB VAL A 14 4.319 -3.583 6.808 1.00 25.00 H new ATOM 0 HG11 VAL A 14 4.341 -5.922 6.017 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.684 -5.349 6.322 1.00 25.00 H new ATOM 0 HG13 VAL A 14 3.292 -5.469 4.653 1.00 25.00 H new ATOM 0 HG21 VAL A 14 6.100 -4.352 5.221 1.00 25.00 H new ATOM 0 HG22 VAL A 14 5.086 -3.843 3.849 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.724 -2.628 4.984 1.00 25.00 H new ATOM 203 N ASP A 15 1.598 -2.372 7.252 1.00 25.00 N ATOM 204 CA ASP A 15 0.372 -2.369 8.062 1.00 25.00 C ATOM 205 C ASP A 15 -0.764 -1.737 7.257 1.00 25.00 C ATOM 206 O ASP A 15 -1.847 -2.304 7.119 1.00 25.00 O ATOM 207 CB ASP A 15 0.641 -1.570 9.347 1.00 25.00 C ATOM 208 CG ASP A 15 -0.555 -1.513 10.264 1.00 25.00 C ATOM 209 OD1 ASP A 15 -1.232 -2.537 10.445 1.00 25.00 O ATOM 210 OD2 ASP A 15 -0.774 -0.434 10.872 1.00 25.00 O ATOM 0 H ASP A 15 2.375 -1.865 7.676 1.00 25.00 H new ATOM 0 HA ASP A 15 0.081 -3.386 8.326 1.00 25.00 H new ATOM 0 HB2 ASP A 15 1.479 -2.019 9.879 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.938 -0.555 9.082 1.00 25.00 H new ATOM 215 N THR A 16 -0.480 -0.599 6.640 1.00 25.00 N ATOM 216 CA THR A 16 -1.468 0.072 5.801 1.00 25.00 C ATOM 217 C THR A 16 -1.825 -0.752 4.564 1.00 25.00 C ATOM 218 O THR A 16 -2.982 -0.807 4.172 1.00 25.00 O ATOM 219 CB THR A 16 -0.960 1.451 5.361 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.547 2.180 6.521 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.053 2.257 4.660 1.00 25.00 C ATOM 0 H THR A 16 0.419 -0.122 6.702 1.00 25.00 H new ATOM 0 HA THR A 16 -2.367 0.188 6.406 1.00 25.00 H new ATOM 0 HB THR A 16 -0.135 1.301 4.665 1.00 25.00 H new ATOM 0 HG1 THR A 16 0.315 1.835 6.834 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.656 3.228 4.363 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.392 1.718 3.776 1.00 25.00 H new ATOM 0 HG23 THR A 16 -2.892 2.401 5.341 1.00 25.00 H new ATOM 229 N LEU A 17 -0.853 -1.420 3.953 1.00 25.00 N ATOM 230 CA LEU A 17 -1.134 -2.258 2.783 1.00 25.00 C ATOM 231 C LEU A 17 -2.092 -3.380 3.180 1.00 25.00 C ATOM 232 O LEU A 17 -3.014 -3.695 2.441 1.00 25.00 O ATOM 233 CB LEU A 17 0.166 -2.843 2.212 1.00 25.00 C ATOM 234 CG LEU A 17 0.949 -1.909 1.274 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.428 -2.293 1.236 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.377 -1.958 -0.151 1.00 25.00 C ATOM 0 H LEU A 17 0.126 -1.402 4.240 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.597 -1.645 2.010 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.814 -3.124 3.042 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.074 -3.758 1.670 1.00 25.00 H new ATOM 0 HG LEU A 17 0.851 -0.896 1.664 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.962 -1.619 0.566 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.849 -2.218 2.238 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.529 -3.317 0.876 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.948 -1.289 -0.795 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.444 -2.976 -0.535 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.667 -1.644 -0.135 1.00 25.00 H new ATOM 248 N GLN A 18 -1.902 -3.958 4.355 1.00 25.00 N ATOM 249 CA GLN A 18 -2.801 -4.999 4.842 1.00 25.00 C ATOM 250 C GLN A 18 -4.187 -4.432 5.140 1.00 25.00 C ATOM 251 O GLN A 18 -5.183 -5.083 4.885 1.00 25.00 O ATOM 252 CB GLN A 18 -2.227 -5.665 6.094 1.00 25.00 C ATOM 253 CG GLN A 18 -0.999 -6.521 5.792 1.00 25.00 C ATOM 254 CD GLN A 18 -0.406 -7.156 7.028 1.00 25.00 C ATOM 255 OE1 GLN A 18 -0.976 -7.118 8.098 1.00 25.00 O ATOM 256 NE2 GLN A 18 0.740 -7.773 6.869 1.00 25.00 N ATOM 0 H GLN A 18 -1.137 -3.727 4.989 1.00 25.00 H new ATOM 0 HA GLN A 18 -2.898 -5.749 4.057 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -1.961 -4.897 6.820 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -2.995 -6.287 6.555 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -1.273 -7.303 5.084 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.242 -5.904 5.308 1.00 25.00 H new ATOM 0 HE21 GLN A 18 1.191 -7.784 5.954 1.00 25.00 H new ATOM 0 HE22 GLN A 18 1.181 -8.242 7.660 1.00 25.00 H new ATOM 265 N PHE A 19 -4.256 -3.207 5.627 1.00 25.00 N ATOM 266 CA PHE A 19 -5.547 -2.556 5.867 1.00 25.00 C ATOM 267 C PHE A 19 -6.308 -2.284 4.560 1.00 25.00 C ATOM 268 O PHE A 19 -7.487 -2.591 4.446 1.00 25.00 O ATOM 269 CB PHE A 19 -5.317 -1.242 6.624 1.00 25.00 C ATOM 270 CG PHE A 19 -6.591 -0.477 6.918 1.00 25.00 C ATOM 271 CD1 PHE A 19 -7.347 -0.771 8.064 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.038 0.533 6.044 1.00 25.00 C ATOM 273 CE1 PHE A 19 -8.545 -0.071 8.334 1.00 25.00 C ATOM 274 CE2 PHE A 19 -8.236 1.237 6.296 1.00 25.00 C ATOM 275 CZ PHE A 19 -8.987 0.936 7.445 1.00 25.00 C ATOM 0 H PHE A 19 -3.443 -2.639 5.866 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.160 -3.231 6.463 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -4.809 -1.459 7.564 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -4.650 -0.608 6.040 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -7.010 -1.539 8.745 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -6.455 0.773 5.167 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -9.121 -0.305 9.217 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -8.572 2.001 5.611 1.00 25.00 H new ATOM 0 HZ PHE A 19 -9.901 1.473 7.649 1.00 25.00 H new ATOM 285 N VAL A 20 -5.643 -1.655 3.600 1.00 25.00 N ATOM 286 CA VAL A 20 -6.284 -1.239 2.348 1.00 25.00 C ATOM 287 C VAL A 20 -6.622 -2.428 1.446 1.00 25.00 C ATOM 288 O VAL A 20 -7.699 -2.469 0.843 1.00 25.00 O ATOM 289 CB VAL A 20 -5.370 -0.224 1.574 1.00 25.00 C ATOM 290 CG1 VAL A 20 -5.987 0.179 0.223 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.169 1.036 2.416 1.00 25.00 C ATOM 0 H VAL A 20 -4.653 -1.418 3.660 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.222 -0.753 2.617 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.416 -0.717 1.388 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.326 0.882 -0.284 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -6.117 -0.708 -0.397 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -6.956 0.649 0.391 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.534 1.738 1.875 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.136 1.499 2.614 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -4.694 0.771 3.360 1.00 25.00 H new ATOM 301 N CYS A 21 -5.713 -3.382 1.330 1.00 25.00 N ATOM 302 CA CYS A 21 -5.925 -4.519 0.442 1.00 25.00 C ATOM 303 C CYS A 21 -6.690 -5.646 1.127 1.00 25.00 C ATOM 304 O CYS A 21 -7.303 -6.499 0.470 1.00 25.00 O ATOM 305 CB CYS A 21 -4.587 -5.032 -0.056 1.00 25.00 C ATOM 306 SG CYS A 21 -3.569 -3.718 -0.807 1.00 25.00 S ATOM 0 H CYS A 21 -4.827 -3.395 1.834 1.00 25.00 H new ATOM 0 HA CYS A 21 -6.530 -4.177 -0.398 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -4.041 -5.479 0.775 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -4.754 -5.821 -0.789 1.00 25.00 H new ATOM 311 N GLY A 22 -6.649 -5.667 2.448 1.00 25.00 N ATOM 312 CA GLY A 22 -7.336 -6.701 3.195 1.00 25.00 C ATOM 313 C GLY A 22 -6.802 -8.083 2.891 1.00 25.00 C ATOM 314 O GLY A 22 -5.637 -8.274 2.539 1.00 25.00 O ATOM 0 H GLY A 22 -6.151 -4.985 3.020 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -7.236 -6.502 4.262 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -8.401 -6.667 2.963 1.00 25.00 H new ATOM 318 N ASP A 23 -7.704 -9.047 2.986 1.00 25.00 N ATOM 319 CA ASP A 23 -7.412 -10.466 2.748 1.00 25.00 C ATOM 320 C ASP A 23 -6.999 -10.762 1.294 1.00 25.00 C ATOM 321 O ASP A 23 -6.598 -11.870 0.969 1.00 25.00 O ATOM 322 CB ASP A 23 -8.684 -11.238 3.107 1.00 25.00 C ATOM 323 CG ASP A 23 -8.512 -12.743 3.042 1.00 25.00 C ATOM 324 OD1 ASP A 23 -7.616 -13.282 3.718 1.00 25.00 O ATOM 325 OD2 ASP A 23 -9.366 -13.398 2.380 1.00 25.00 O ATOM 0 H ASP A 23 -8.677 -8.871 3.234 1.00 25.00 H new ATOM 0 HA ASP A 23 -6.561 -10.767 3.359 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -8.998 -10.959 4.113 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -9.484 -10.941 2.429 1.00 25.00 H new ATOM 330 N ARG A 24 -7.072 -9.774 0.408 1.00 25.00 N ATOM 331 CA ARG A 24 -6.697 -9.991 -0.996 1.00 25.00 C ATOM 332 C ARG A 24 -5.192 -10.003 -1.176 1.00 25.00 C ATOM 333 O ARG A 24 -4.691 -10.568 -2.130 1.00 25.00 O ATOM 334 CB ARG A 24 -7.344 -8.940 -1.918 1.00 25.00 C ATOM 335 CG ARG A 24 -8.882 -8.735 -1.724 1.00 25.00 C ATOM 336 CD ARG A 24 -9.755 -9.873 -2.320 1.00 25.00 C ATOM 337 NE ARG A 24 -9.367 -11.213 -1.838 1.00 25.00 N ATOM 338 CZ ARG A 24 -9.741 -11.771 -0.690 1.00 25.00 C ATOM 339 NH1 ARG A 24 -10.574 -11.203 0.145 1.00 25.00 N ATOM 340 NH2 ARG A 24 -9.248 -12.931 -0.368 1.00 25.00 N ATOM 0 H ARG A 24 -7.382 -8.827 0.626 1.00 25.00 H new ATOM 0 HA ARG A 24 -7.076 -10.972 -1.281 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -6.844 -7.985 -1.759 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -7.160 -9.227 -2.953 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -9.094 -8.649 -0.658 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -9.172 -7.790 -2.184 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -10.800 -9.691 -2.068 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -9.680 -9.849 -3.407 1.00 25.00 H new ATOM 0 HE ARG A 24 -8.755 -11.762 -2.441 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -10.969 -10.288 -0.072 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -10.828 -11.675 1.013 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -8.588 -13.395 -0.991 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -9.522 -13.376 0.508 1.00 25.00 H new ATOM 354 N GLY A 25 -4.466 -9.426 -0.226 1.00 25.00 N ATOM 355 CA GLY A 25 -3.023 -9.408 -0.302 1.00 25.00 C ATOM 356 C GLY A 25 -2.551 -8.278 -1.183 1.00 25.00 C ATOM 357 O GLY A 25 -3.345 -7.537 -1.765 1.00 25.00 O ATOM 0 H GLY A 25 -4.856 -8.969 0.598 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -2.602 -9.297 0.697 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -2.662 -10.358 -0.696 1.00 25.00 H new ATOM 361 N PHE A 26 -1.242 -8.131 -1.267 1.00 25.00 N ATOM 362 CA PHE A 26 -0.627 -7.027 -1.985 1.00 25.00 C ATOM 363 C PHE A 26 0.750 -7.447 -2.453 1.00 25.00 C ATOM 364 O PHE A 26 1.282 -8.454 -1.986 1.00 25.00 O ATOM 365 CB PHE A 26 -0.498 -5.833 -1.037 1.00 25.00 C ATOM 366 CG PHE A 26 0.412 -6.102 0.137 1.00 25.00 C ATOM 367 CD1 PHE A 26 -0.108 -6.638 1.332 1.00 25.00 C ATOM 368 CD2 PHE A 26 1.790 -5.836 0.050 1.00 25.00 C ATOM 369 CE1 PHE A 26 0.744 -6.923 2.427 1.00 25.00 C ATOM 370 CE2 PHE A 26 2.653 -6.119 1.138 1.00 25.00 C ATOM 371 CZ PHE A 26 2.126 -6.669 2.326 1.00 25.00 C ATOM 0 H PHE A 26 -0.574 -8.773 -0.840 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.237 -6.753 -2.845 1.00 25.00 H new ATOM 0 HB2 PHE A 26 -0.119 -4.975 -1.593 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.487 -5.562 -0.667 1.00 25.00 H new ATOM 0 HD1 PHE A 26 -1.167 -6.833 1.414 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.195 -5.411 -0.856 1.00 25.00 H new ATOM 0 HE1 PHE A 26 0.335 -7.334 3.338 1.00 25.00 H new ATOM 0 HE2 PHE A 26 3.710 -5.914 1.058 1.00 25.00 H new ATOM 0 HZ PHE A 26 2.780 -6.895 3.155 1.00 25.00 H new ATOM 381 N TYR A 27 1.352 -6.639 -3.307 1.00 25.00 N ATOM 382 CA TYR A 27 2.729 -6.868 -3.737 1.00 25.00 C ATOM 383 C TYR A 27 3.551 -5.622 -3.442 1.00 25.00 C ATOM 384 O TYR A 27 3.057 -4.499 -3.535 1.00 25.00 O ATOM 385 CB TYR A 27 2.766 -7.202 -5.229 1.00 25.00 C ATOM 386 CG TYR A 27 1.953 -8.442 -5.573 1.00 25.00 C ATOM 387 CD1 TYR A 27 2.247 -9.687 -4.975 1.00 25.00 C ATOM 388 CD2 TYR A 27 0.881 -8.377 -6.487 1.00 25.00 C ATOM 389 CE1 TYR A 27 1.482 -10.844 -5.286 1.00 25.00 C ATOM 390 CE2 TYR A 27 0.122 -9.534 -6.800 1.00 25.00 C ATOM 391 CZ TYR A 27 0.428 -10.752 -6.197 1.00 25.00 C ATOM 392 OH TYR A 27 -0.320 -11.862 -6.498 1.00 25.00 O ATOM 0 H TYR A 27 0.913 -5.816 -3.720 1.00 25.00 H new ATOM 0 HA TYR A 27 3.151 -7.713 -3.193 1.00 25.00 H new ATOM 0 HB2 TYR A 27 2.385 -6.353 -5.797 1.00 25.00 H new ATOM 0 HB3 TYR A 27 3.800 -7.353 -5.538 1.00 25.00 H new ATOM 0 HD1 TYR A 27 3.064 -9.761 -4.272 1.00 25.00 H new ATOM 0 HD2 TYR A 27 0.635 -7.435 -6.954 1.00 25.00 H new ATOM 0 HE1 TYR A 27 1.715 -11.790 -4.820 1.00 25.00 H new ATOM 0 HE2 TYR A 27 -0.693 -9.471 -7.506 1.00 25.00 H new ATOM 0 HH TYR A 27 -1.013 -11.623 -7.148 1.00 25.00 H new ATOM 402 N PHE A 28 4.796 -5.813 -3.040 1.00 25.00 N ATOM 403 CA PHE A 28 5.659 -4.705 -2.658 1.00 25.00 C ATOM 404 C PHE A 28 6.600 -4.377 -3.813 1.00 25.00 C ATOM 405 O PHE A 28 7.058 -5.274 -4.514 1.00 25.00 O ATOM 406 CB PHE A 28 6.469 -5.082 -1.413 1.00 25.00 C ATOM 407 CG PHE A 28 6.818 -3.908 -0.533 1.00 25.00 C ATOM 408 CD1 PHE A 28 8.032 -3.207 -0.698 1.00 25.00 C ATOM 409 CD2 PHE A 28 5.928 -3.499 0.480 1.00 25.00 C ATOM 410 CE1 PHE A 28 8.357 -2.110 0.145 1.00 25.00 C ATOM 411 CE2 PHE A 28 6.236 -2.406 1.323 1.00 25.00 C ATOM 412 CZ PHE A 28 7.459 -1.715 1.162 1.00 25.00 C ATOM 0 H PHE A 28 5.235 -6.731 -2.969 1.00 25.00 H new ATOM 0 HA PHE A 28 5.049 -3.831 -2.429 1.00 25.00 H new ATOM 0 HB2 PHE A 28 5.902 -5.806 -0.828 1.00 25.00 H new ATOM 0 HB3 PHE A 28 7.389 -5.575 -1.726 1.00 25.00 H new ATOM 0 HD1 PHE A 28 8.721 -3.508 -1.473 1.00 25.00 H new ATOM 0 HD2 PHE A 28 4.996 -4.028 0.615 1.00 25.00 H new ATOM 0 HE1 PHE A 28 9.288 -1.580 0.009 1.00 25.00 H new ATOM 0 HE2 PHE A 28 5.538 -2.100 2.088 1.00 25.00 H new ATOM 0 HZ PHE A 28 7.706 -0.889 1.813 1.00 25.00 H new ATOM 422 N SER A 29 6.928 -3.105 -3.982 1.00 25.00 N ATOM 423 CA SER A 29 7.869 -2.685 -5.019 1.00 25.00 C ATOM 424 C SER A 29 8.891 -1.734 -4.413 1.00 25.00 C ATOM 425 O SER A 29 8.578 -0.961 -3.502 1.00 25.00 O ATOM 426 CB SER A 29 7.140 -2.012 -6.179 1.00 25.00 C ATOM 427 OG SER A 29 8.068 -1.600 -7.171 1.00 25.00 O ATOM 0 H SER A 29 6.558 -2.342 -3.415 1.00 25.00 H new ATOM 0 HA SER A 29 8.378 -3.565 -5.412 1.00 25.00 H new ATOM 0 HB2 SER A 29 6.417 -2.702 -6.612 1.00 25.00 H new ATOM 0 HB3 SER A 29 6.580 -1.151 -5.815 1.00 25.00 H new ATOM 0 HG SER A 29 7.802 -0.726 -7.525 1.00 25.00 H new ATOM 433 N ARG A 30 10.123 -1.820 -4.893 1.00 25.00 N ATOM 434 CA ARG A 30 11.242 -1.068 -4.326 1.00 25.00 C ATOM 435 C ARG A 30 12.158 -0.568 -5.446 1.00 25.00 C ATOM 436 O ARG A 30 12.453 -1.311 -6.377 1.00 25.00 O ATOM 437 CB ARG A 30 12.021 -2.020 -3.400 1.00 25.00 C ATOM 438 CG ARG A 30 12.609 -1.387 -2.158 1.00 25.00 C ATOM 439 CD ARG A 30 14.035 -0.910 -2.376 1.00 25.00 C ATOM 440 NE ARG A 30 14.675 -0.513 -1.117 1.00 25.00 N ATOM 441 CZ ARG A 30 15.891 0.012 -1.015 1.00 25.00 C ATOM 442 NH1 ARG A 30 16.636 0.249 -2.068 1.00 25.00 N ATOM 443 NH2 ARG A 30 16.364 0.305 0.167 1.00 25.00 N ATOM 0 H ARG A 30 10.379 -2.410 -5.684 1.00 25.00 H new ATOM 0 HA ARG A 30 10.878 -0.204 -3.771 1.00 25.00 H new ATOM 0 HB2 ARG A 30 11.355 -2.827 -3.094 1.00 25.00 H new ATOM 0 HB3 ARG A 30 12.830 -2.474 -3.973 1.00 25.00 H new ATOM 0 HG2 ARG A 30 11.989 -0.544 -1.854 1.00 25.00 H new ATOM 0 HG3 ARG A 30 12.590 -2.108 -1.341 1.00 25.00 H new ATOM 0 HD2 ARG A 30 14.616 -1.704 -2.845 1.00 25.00 H new ATOM 0 HD3 ARG A 30 14.035 -0.066 -3.066 1.00 25.00 H new ATOM 0 HE ARG A 30 14.147 -0.650 -0.255 1.00 25.00 H new ATOM 0 HH11 ARG A 30 16.286 0.029 -3.000 1.00 25.00 H new ATOM 0 HH12 ARG A 30 17.566 0.653 -1.955 1.00 25.00 H new ATOM 0 HH21 ARG A 30 15.801 0.130 0.999 1.00 25.00 H new ATOM 0 HH22 ARG A 30 17.296 0.708 0.258 1.00 25.00 H new ATOM 457 N PRO A 31 12.621 0.697 -5.379 1.00 25.00 N ATOM 458 CA PRO A 31 13.542 1.129 -6.441 1.00 25.00 C ATOM 459 C PRO A 31 14.923 0.467 -6.344 1.00 25.00 C ATOM 460 O PRO A 31 15.442 0.219 -5.250 1.00 25.00 O ATOM 461 CB PRO A 31 13.648 2.636 -6.204 1.00 25.00 C ATOM 462 CG PRO A 31 13.449 2.786 -4.737 1.00 25.00 C ATOM 463 CD PRO A 31 12.373 1.783 -4.408 1.00 25.00 C ATOM 0 HA PRO A 31 13.181 0.855 -7.432 1.00 25.00 H new ATOM 0 HB2 PRO A 31 14.618 3.022 -6.516 1.00 25.00 H new ATOM 0 HB3 PRO A 31 12.892 3.183 -6.767 1.00 25.00 H new ATOM 0 HG2 PRO A 31 14.367 2.580 -4.187 1.00 25.00 H new ATOM 0 HG3 PRO A 31 13.142 3.799 -4.478 1.00 25.00 H new ATOM 0 HD2 PRO A 31 12.451 1.430 -3.380 1.00 25.00 H new ATOM 0 HD3 PRO A 31 11.376 2.208 -4.524 1.00 25.00 H new ATOM 471 N ALA A 32 15.515 0.200 -7.502 1.00 25.00 N ATOM 472 CA ALA A 32 16.860 -0.379 -7.587 1.00 25.00 C ATOM 473 C ALA A 32 17.537 0.081 -8.896 1.00 25.00 C ATOM 474 O ALA A 32 18.483 -0.526 -9.363 1.00 25.00 O ATOM 475 CB ALA A 32 16.779 -1.913 -7.535 1.00 25.00 C ATOM 0 H ALA A 32 15.082 0.376 -8.409 1.00 25.00 H new ATOM 0 HA ALA A 32 17.455 -0.037 -6.740 1.00 25.00 H new ATOM 0 HB1 ALA A 32 17.783 -2.333 -7.599 1.00 25.00 H new ATOM 0 HB2 ALA A 32 16.316 -2.221 -6.598 1.00 25.00 H new ATOM 0 HB3 ALA A 32 16.181 -2.274 -8.372 1.00 25.00 H new ATOM 481 N SER A 33 16.991 1.122 -9.501 1.00 25.00 N ATOM 482 CA SER A 33 17.448 1.589 -10.816 1.00 25.00 C ATOM 483 C SER A 33 18.504 2.676 -10.755 1.00 25.00 C ATOM 484 O SER A 33 18.880 3.241 -11.776 1.00 25.00 O ATOM 485 CB SER A 33 16.256 2.156 -11.572 1.00 25.00 C ATOM 486 OG SER A 33 15.271 1.153 -11.767 1.00 25.00 O ATOM 0 H SER A 33 16.225 1.668 -9.106 1.00 25.00 H new ATOM 0 HA SER A 33 17.895 0.725 -11.308 1.00 25.00 H new ATOM 0 HB2 SER A 33 15.829 2.991 -11.017 1.00 25.00 H new ATOM 0 HB3 SER A 33 16.581 2.547 -12.536 1.00 25.00 H new ATOM 0 HG SER A 33 14.509 1.533 -12.253 1.00 25.00 H new ATOM 492 N ARG A 34 18.909 2.997 -9.535 1.00 25.00 N ATOM 493 CA ARG A 34 19.867 4.068 -9.199 1.00 25.00 C ATOM 494 C ARG A 34 19.343 5.489 -9.453 1.00 25.00 C ATOM 495 O ARG A 34 19.698 6.411 -8.724 1.00 25.00 O ATOM 496 CB ARG A 34 21.204 3.826 -9.915 1.00 25.00 C ATOM 497 CG ARG A 34 22.397 4.449 -9.219 1.00 25.00 C ATOM 498 CD ARG A 34 22.920 5.667 -9.967 1.00 25.00 C ATOM 499 NE ARG A 34 24.200 6.126 -9.400 1.00 25.00 N ATOM 500 CZ ARG A 34 24.908 7.165 -9.838 1.00 25.00 C ATOM 501 NH1 ARG A 34 24.510 7.912 -10.841 1.00 25.00 N ATOM 502 NH2 ARG A 34 26.039 7.455 -9.256 1.00 25.00 N ATOM 0 H ARG A 34 18.571 2.504 -8.709 1.00 25.00 H new ATOM 0 HA ARG A 34 20.017 4.015 -8.121 1.00 25.00 H new ATOM 0 HB2 ARG A 34 21.368 2.752 -10.003 1.00 25.00 H new ATOM 0 HB3 ARG A 34 21.139 4.223 -10.928 1.00 25.00 H new ATOM 0 HG2 ARG A 34 22.116 4.738 -8.206 1.00 25.00 H new ATOM 0 HG3 ARG A 34 23.192 3.709 -9.130 1.00 25.00 H new ATOM 0 HD2 ARG A 34 23.052 5.422 -11.021 1.00 25.00 H new ATOM 0 HD3 ARG A 34 22.187 6.472 -9.917 1.00 25.00 H new ATOM 0 HE ARG A 34 24.574 5.605 -8.607 1.00 25.00 H new ATOM 0 HH11 ARG A 34 23.630 7.705 -11.314 1.00 25.00 H new ATOM 0 HH12 ARG A 34 25.080 8.700 -11.148 1.00 25.00 H new ATOM 0 HH21 ARG A 34 26.371 6.888 -8.475 1.00 25.00 H new ATOM 0 HH22 ARG A 34 26.591 8.248 -9.582 1.00 25.00 H new ATOM 516 N VAL A 35 18.467 5.651 -10.432 1.00 25.00 N ATOM 517 CA VAL A 35 17.809 6.921 -10.709 1.00 25.00 C ATOM 518 C VAL A 35 16.304 6.672 -10.802 1.00 25.00 C ATOM 519 O VAL A 35 15.878 5.574 -11.191 1.00 25.00 O ATOM 520 CB VAL A 35 18.320 7.550 -12.043 1.00 25.00 C ATOM 521 CG1 VAL A 35 19.800 7.916 -11.918 1.00 25.00 C ATOM 522 CG2 VAL A 35 18.138 6.585 -13.242 1.00 25.00 C ATOM 0 H VAL A 35 18.189 4.899 -11.063 1.00 25.00 H new ATOM 0 HA VAL A 35 18.037 7.621 -9.905 1.00 25.00 H new ATOM 0 HB VAL A 35 17.725 8.445 -12.228 1.00 25.00 H new ATOM 0 HG11 VAL A 35 20.147 8.354 -12.854 1.00 25.00 H new ATOM 0 HG12 VAL A 35 19.930 8.636 -11.110 1.00 25.00 H new ATOM 0 HG13 VAL A 35 20.380 7.019 -11.701 1.00 25.00 H new ATOM 0 HG21 VAL A 35 18.506 7.061 -14.151 1.00 25.00 H new ATOM 0 HG22 VAL A 35 18.699 5.668 -13.060 1.00 25.00 H new ATOM 0 HG23 VAL A 35 17.081 6.346 -13.360 1.00 25.00 H new ATOM 532 N SER A 36 15.506 7.674 -10.468 1.00 25.00 N ATOM 533 CA SER A 36 14.050 7.563 -10.543 1.00 25.00 C ATOM 534 C SER A 36 13.479 8.810 -11.204 1.00 25.00 C ATOM 535 O SER A 36 13.551 9.904 -10.652 1.00 25.00 O ATOM 536 CB SER A 36 13.457 7.405 -9.150 1.00 25.00 C ATOM 537 OG SER A 36 13.955 6.233 -8.523 1.00 25.00 O ATOM 0 H SER A 36 15.841 8.580 -10.140 1.00 25.00 H new ATOM 0 HA SER A 36 13.793 6.684 -11.134 1.00 25.00 H new ATOM 0 HB2 SER A 36 13.700 8.278 -8.545 1.00 25.00 H new ATOM 0 HB3 SER A 36 12.370 7.355 -9.216 1.00 25.00 H new ATOM 0 HG SER A 36 13.663 6.213 -7.588 1.00 25.00 H new ATOM 543 N ARG A 37 12.942 8.657 -12.414 1.00 25.00 N ATOM 544 CA ARG A 37 12.346 9.791 -13.138 1.00 25.00 C ATOM 545 C ARG A 37 10.847 9.864 -12.848 1.00 25.00 C ATOM 546 O ARG A 37 10.184 10.843 -13.163 1.00 25.00 O ATOM 547 CB ARG A 37 12.596 9.656 -14.647 1.00 25.00 C ATOM 548 CG ARG A 37 14.078 9.741 -15.023 1.00 25.00 C ATOM 549 CD ARG A 37 14.274 9.695 -16.547 1.00 25.00 C ATOM 550 NE ARG A 37 15.706 9.765 -16.904 1.00 25.00 N ATOM 551 CZ ARG A 37 16.197 9.703 -18.140 1.00 25.00 C ATOM 552 NH1 ARG A 37 15.429 9.554 -19.190 1.00 25.00 N ATOM 553 NH2 ARG A 37 17.488 9.793 -18.326 1.00 25.00 N ATOM 0 H ARG A 37 12.905 7.769 -12.914 1.00 25.00 H new ATOM 0 HA ARG A 37 12.816 10.713 -12.796 1.00 25.00 H new ATOM 0 HB2 ARG A 37 12.195 8.703 -14.991 1.00 25.00 H new ATOM 0 HB3 ARG A 37 12.049 10.440 -15.171 1.00 25.00 H new ATOM 0 HG2 ARG A 37 14.503 10.664 -14.628 1.00 25.00 H new ATOM 0 HG3 ARG A 37 14.620 8.917 -14.560 1.00 25.00 H new ATOM 0 HD2 ARG A 37 13.842 8.777 -16.944 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.740 10.525 -17.010 1.00 25.00 H new ATOM 0 HE ARG A 37 16.374 9.869 -16.140 1.00 25.00 H new ATOM 0 HH11 ARG A 37 14.418 9.481 -19.076 1.00 25.00 H new ATOM 0 HH12 ARG A 37 15.842 9.511 -20.122 1.00 25.00 H new ATOM 0 HH21 ARG A 37 18.111 9.910 -17.527 1.00 25.00 H new ATOM 0 HH22 ARG A 37 17.872 9.746 -19.270 1.00 25.00 H new ATOM 567 N ARG A 38 10.346 8.804 -12.236 1.00 25.00 N ATOM 568 CA ARG A 38 8.956 8.673 -11.777 1.00 25.00 C ATOM 569 C ARG A 38 9.138 7.717 -10.615 1.00 25.00 C ATOM 570 O ARG A 38 10.173 7.050 -10.573 1.00 25.00 O ATOM 571 CB ARG A 38 8.050 8.028 -12.841 1.00 25.00 C ATOM 572 CG ARG A 38 7.692 8.950 -14.011 1.00 25.00 C ATOM 573 CD ARG A 38 6.775 8.252 -15.008 1.00 25.00 C ATOM 574 NE ARG A 38 6.455 9.132 -16.151 1.00 25.00 N ATOM 575 CZ ARG A 38 5.700 8.795 -17.195 1.00 25.00 C ATOM 576 NH1 ARG A 38 5.161 7.610 -17.317 1.00 25.00 N ATOM 577 NH2 ARG A 38 5.476 9.671 -18.130 1.00 25.00 N ATOM 0 H ARG A 38 10.908 7.977 -12.034 1.00 25.00 H new ATOM 0 HA ARG A 38 8.482 9.626 -11.542 1.00 25.00 H new ATOM 0 HB2 ARG A 38 8.546 7.140 -13.233 1.00 25.00 H new ATOM 0 HB3 ARG A 38 7.129 7.694 -12.363 1.00 25.00 H new ATOM 0 HG2 ARG A 38 7.204 9.848 -13.632 1.00 25.00 H new ATOM 0 HG3 ARG A 38 8.603 9.271 -14.515 1.00 25.00 H new ATOM 0 HD2 ARG A 38 7.253 7.342 -15.370 1.00 25.00 H new ATOM 0 HD3 ARG A 38 5.854 7.951 -14.509 1.00 25.00 H new ATOM 0 HE ARG A 38 6.844 10.075 -16.139 1.00 25.00 H new ATOM 0 HH11 ARG A 38 5.313 6.904 -16.597 1.00 25.00 H new ATOM 0 HH12 ARG A 38 4.589 7.392 -18.133 1.00 25.00 H new ATOM 0 HH21 ARG A 38 5.877 10.606 -18.059 1.00 25.00 H new ATOM 0 HH22 ARG A 38 4.899 9.423 -18.934 1.00 25.00 H new ATOM 591 N SER A 39 8.180 7.628 -9.708 1.00 25.00 N ATOM 592 CA SER A 39 8.276 6.674 -8.606 1.00 25.00 C ATOM 593 C SER A 39 8.249 5.259 -9.167 1.00 25.00 C ATOM 594 O SER A 39 7.528 4.975 -10.125 1.00 25.00 O ATOM 595 CB SER A 39 7.122 6.865 -7.622 1.00 25.00 C ATOM 596 OG SER A 39 7.080 8.204 -7.156 1.00 25.00 O ATOM 0 H SER A 39 7.333 8.197 -9.708 1.00 25.00 H new ATOM 0 HA SER A 39 9.211 6.843 -8.072 1.00 25.00 H new ATOM 0 HB2 SER A 39 6.179 6.613 -8.106 1.00 25.00 H new ATOM 0 HB3 SER A 39 7.239 6.184 -6.779 1.00 25.00 H new ATOM 0 HG SER A 39 6.334 8.309 -6.529 1.00 25.00 H new ATOM 602 N ARG A 40 9.070 4.386 -8.602 1.00 25.00 N ATOM 603 CA ARG A 40 9.183 2.999 -9.058 1.00 25.00 C ATOM 604 C ARG A 40 8.450 2.028 -8.131 1.00 25.00 C ATOM 605 O ARG A 40 8.038 0.939 -8.544 1.00 25.00 O ATOM 606 CB ARG A 40 10.679 2.635 -9.150 1.00 25.00 C ATOM 607 CG ARG A 40 10.995 1.177 -9.443 1.00 25.00 C ATOM 608 CD ARG A 40 10.376 0.705 -10.748 1.00 25.00 C ATOM 609 NE ARG A 40 10.617 -0.731 -10.950 1.00 25.00 N ATOM 610 CZ ARG A 40 10.155 -1.453 -11.964 1.00 25.00 C ATOM 611 NH1 ARG A 40 9.420 -0.936 -12.916 1.00 25.00 N ATOM 612 NH2 ARG A 40 10.437 -2.728 -12.012 1.00 25.00 N ATOM 0 H ARG A 40 9.678 4.614 -7.815 1.00 25.00 H new ATOM 0 HA ARG A 40 8.711 2.912 -10.037 1.00 25.00 H new ATOM 0 HB2 ARG A 40 11.134 3.248 -9.928 1.00 25.00 H new ATOM 0 HB3 ARG A 40 11.157 2.907 -8.209 1.00 25.00 H new ATOM 0 HG2 ARG A 40 12.076 1.043 -9.487 1.00 25.00 H new ATOM 0 HG3 ARG A 40 10.630 0.557 -8.625 1.00 25.00 H new ATOM 0 HD2 ARG A 40 9.304 0.901 -10.739 1.00 25.00 H new ATOM 0 HD3 ARG A 40 10.796 1.270 -11.580 1.00 25.00 H new ATOM 0 HE ARG A 40 11.186 -1.212 -10.254 1.00 25.00 H new ATOM 0 HH11 ARG A 40 9.183 0.056 -12.896 1.00 25.00 H new ATOM 0 HH12 ARG A 40 9.084 -1.525 -13.678 1.00 25.00 H new ATOM 0 HH21 ARG A 40 11.004 -3.153 -11.278 1.00 25.00 H new ATOM 0 HH22 ARG A 40 10.091 -3.298 -12.784 1.00 25.00 H new ATOM 626 N GLY A 41 8.303 2.398 -6.873 1.00 25.00 N ATOM 627 CA GLY A 41 7.659 1.508 -5.925 1.00 25.00 C ATOM 628 C GLY A 41 6.958 2.158 -4.761 1.00 25.00 C ATOM 629 O GLY A 41 7.123 3.343 -4.508 1.00 25.00 O ATOM 0 H GLY A 41 8.614 3.290 -6.489 1.00 25.00 H new ATOM 0 HA2 GLY A 41 6.932 0.902 -6.466 1.00 25.00 H new ATOM 0 HA3 GLY A 41 8.413 0.826 -5.531 1.00 25.00 H new ATOM 633 N ILE A 42 6.195 1.351 -4.040 1.00 25.00 N ATOM 634 CA ILE A 42 5.365 1.800 -2.922 1.00 25.00 C ATOM 635 C ILE A 42 6.163 2.525 -1.816 1.00 25.00 C ATOM 636 O ILE A 42 5.701 3.496 -1.239 1.00 25.00 O ATOM 637 CB ILE A 42 4.540 0.582 -2.355 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.449 1.063 -1.386 1.00 25.00 C ATOM 639 CG2 ILE A 42 5.450 -0.456 -1.665 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.222 1.619 -2.057 1.00 25.00 C ATOM 0 H ILE A 42 6.131 0.348 -4.215 1.00 25.00 H new ATOM 0 HA ILE A 42 4.675 2.551 -3.306 1.00 25.00 H new ATOM 0 HB ILE A 42 4.063 0.093 -3.205 1.00 25.00 H new ATOM 0 HG12 ILE A 42 3.153 0.230 -0.748 1.00 25.00 H new ATOM 0 HG13 ILE A 42 3.871 1.829 -0.735 1.00 25.00 H new ATOM 0 HG21 ILE A 42 4.843 -1.279 -1.288 1.00 25.00 H new ATOM 0 HG22 ILE A 42 6.175 -0.839 -2.383 1.00 25.00 H new ATOM 0 HG23 ILE A 42 5.976 0.016 -0.835 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.504 1.934 -1.300 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.500 2.475 -2.672 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.772 0.851 -2.686 1.00 25.00 H new ATOM 652 N VAL A 43 7.390 2.110 -1.550 1.00 25.00 N ATOM 653 CA VAL A 43 8.182 2.781 -0.513 1.00 25.00 C ATOM 654 C VAL A 43 8.612 4.179 -0.982 1.00 25.00 C ATOM 655 O VAL A 43 8.841 5.072 -0.181 1.00 25.00 O ATOM 656 CB VAL A 43 9.425 1.915 -0.102 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.474 1.858 -1.221 1.00 25.00 C ATOM 658 CG2 VAL A 43 10.061 2.464 1.173 1.00 25.00 C ATOM 0 H VAL A 43 7.857 1.334 -2.019 1.00 25.00 H new ATOM 0 HA VAL A 43 7.555 2.897 0.371 1.00 25.00 H new ATOM 0 HB VAL A 43 9.068 0.901 0.079 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.318 1.249 -0.897 1.00 25.00 H new ATOM 0 HG12 VAL A 43 10.030 1.417 -2.114 1.00 25.00 H new ATOM 0 HG13 VAL A 43 10.820 2.867 -1.448 1.00 25.00 H new ATOM 0 HG21 VAL A 43 10.921 1.852 1.443 1.00 25.00 H new ATOM 0 HG22 VAL A 43 10.385 3.491 1.005 1.00 25.00 H new ATOM 0 HG23 VAL A 43 9.331 2.442 1.982 1.00 25.00 H new ATOM 668 N GLU A 44 8.723 4.368 -2.280 1.00 25.00 N ATOM 669 CA GLU A 44 9.184 5.640 -2.806 1.00 25.00 C ATOM 670 C GLU A 44 8.078 6.671 -2.767 1.00 25.00 C ATOM 671 O GLU A 44 8.303 7.829 -2.459 1.00 25.00 O ATOM 672 CB GLU A 44 9.677 5.451 -4.229 1.00 25.00 C ATOM 673 CG GLU A 44 11.065 5.994 -4.430 1.00 25.00 C ATOM 674 CD GLU A 44 11.574 5.723 -5.839 1.00 25.00 C ATOM 675 OE1 GLU A 44 12.708 6.123 -6.163 1.00 25.00 O ATOM 676 OE2 GLU A 44 10.862 5.032 -6.608 1.00 25.00 O ATOM 0 H GLU A 44 8.503 3.666 -2.986 1.00 25.00 H new ATOM 0 HA GLU A 44 10.003 6.001 -2.184 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.665 4.390 -4.477 1.00 25.00 H new ATOM 0 HB3 GLU A 44 8.992 5.947 -4.917 1.00 25.00 H new ATOM 0 HG2 GLU A 44 11.067 7.068 -4.242 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.742 5.542 -3.705 1.00 25.00 H new ATOM 683 N GLU A 45 6.868 6.244 -3.061 1.00 25.00 N ATOM 684 CA GLU A 45 5.752 7.171 -3.072 1.00 25.00 C ATOM 685 C GLU A 45 5.210 7.436 -1.676 1.00 25.00 C ATOM 686 O GLU A 45 4.662 8.495 -1.450 1.00 25.00 O ATOM 687 CB GLU A 45 4.659 6.640 -3.996 1.00 25.00 C ATOM 688 CG GLU A 45 4.174 5.268 -3.615 1.00 25.00 C ATOM 689 CD GLU A 45 3.308 4.655 -4.667 1.00 25.00 C ATOM 690 OE1 GLU A 45 2.234 4.177 -4.295 1.00 25.00 O ATOM 691 OE2 GLU A 45 3.713 4.586 -5.856 1.00 25.00 O ATOM 0 H GLU A 45 6.632 5.279 -3.292 1.00 25.00 H new ATOM 0 HA GLU A 45 6.109 8.129 -3.450 1.00 25.00 H new ATOM 0 HB2 GLU A 45 3.817 7.332 -3.986 1.00 25.00 H new ATOM 0 HB3 GLU A 45 5.038 6.613 -5.018 1.00 25.00 H new ATOM 0 HG2 GLU A 45 5.032 4.621 -3.432 1.00 25.00 H new ATOM 0 HG3 GLU A 45 3.616 5.330 -2.680 1.00 25.00 H new ATOM 698 N CYS A 46 5.384 6.503 -0.743 1.00 25.00 N ATOM 699 CA CYS A 46 4.868 6.683 0.625 1.00 25.00 C ATOM 700 C CYS A 46 5.904 7.066 1.685 1.00 25.00 C ATOM 701 O CYS A 46 5.527 7.566 2.736 1.00 25.00 O ATOM 702 CB CYS A 46 4.160 5.414 1.091 1.00 25.00 C ATOM 703 SG CYS A 46 2.675 4.987 0.123 1.00 25.00 S ATOM 0 H CYS A 46 5.872 5.621 -0.900 1.00 25.00 H new ATOM 0 HA CYS A 46 4.189 7.532 0.542 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.862 4.582 1.044 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.876 5.533 2.137 1.00 25.00 H new ATOM 708 N CYS A 47 7.190 6.834 1.444 1.00 25.00 N ATOM 709 CA CYS A 47 8.225 7.199 2.429 1.00 25.00 C ATOM 710 C CYS A 47 9.128 8.323 1.909 1.00 25.00 C ATOM 711 O CYS A 47 9.485 9.231 2.654 1.00 25.00 O ATOM 712 CB CYS A 47 9.066 5.972 2.831 1.00 25.00 C ATOM 713 SG CYS A 47 10.126 6.274 4.288 1.00 25.00 S ATOM 0 H CYS A 47 7.546 6.402 0.591 1.00 25.00 H new ATOM 0 HA CYS A 47 7.710 7.568 3.316 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.399 5.136 3.041 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.692 5.677 1.989 1.00 25.00 H new ATOM 718 N PHE A 48 9.485 8.281 0.627 1.00 25.00 N ATOM 719 CA PHE A 48 10.302 9.356 0.033 1.00 25.00 C ATOM 720 C PHE A 48 9.385 10.518 -0.386 1.00 25.00 C ATOM 721 O PHE A 48 9.837 11.651 -0.572 1.00 25.00 O ATOM 722 CB PHE A 48 11.114 8.850 -1.167 1.00 25.00 C ATOM 723 CG PHE A 48 12.258 7.948 -0.792 1.00 25.00 C ATOM 724 CD1 PHE A 48 12.036 6.596 -0.469 1.00 25.00 C ATOM 725 CD2 PHE A 48 13.576 8.449 -0.777 1.00 25.00 C ATOM 726 CE1 PHE A 48 13.111 5.743 -0.150 1.00 25.00 C ATOM 727 CE2 PHE A 48 14.667 7.606 -0.448 1.00 25.00 C ATOM 728 CZ PHE A 48 14.439 6.255 -0.136 1.00 25.00 C ATOM 0 H PHE A 48 9.231 7.532 -0.017 1.00 25.00 H new ATOM 0 HA PHE A 48 11.015 9.704 0.781 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.448 8.314 -1.844 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.505 9.707 -1.716 1.00 25.00 H new ATOM 0 HD1 PHE A 48 11.028 6.207 -0.466 1.00 25.00 H new ATOM 0 HD2 PHE A 48 13.756 9.486 -1.019 1.00 25.00 H new ATOM 0 HE1 PHE A 48 12.928 4.704 0.083 1.00 25.00 H new ATOM 0 HE2 PHE A 48 15.672 8.001 -0.437 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.267 5.608 0.113 1.00 25.00 H new ATOM 738 N ARG A 49 8.094 10.234 -0.481 1.00 25.00 N ATOM 739 CA ARG A 49 7.054 11.247 -0.699 1.00 25.00 C ATOM 740 C ARG A 49 5.848 10.819 0.128 1.00 25.00 C ATOM 741 O ARG A 49 5.904 9.792 0.776 1.00 25.00 O ATOM 742 CB ARG A 49 6.669 11.322 -2.177 1.00 25.00 C ATOM 743 CG ARG A 49 7.578 12.227 -2.986 1.00 25.00 C ATOM 744 CD ARG A 49 6.790 12.945 -4.070 1.00 25.00 C ATOM 745 NE ARG A 49 7.593 14.003 -4.716 1.00 25.00 N ATOM 746 CZ ARG A 49 8.324 13.859 -5.813 1.00 25.00 C ATOM 747 NH1 ARG A 49 8.408 12.723 -6.455 1.00 25.00 N ATOM 748 NH2 ARG A 49 8.980 14.887 -6.265 1.00 25.00 N ATOM 0 H ARG A 49 7.728 9.285 -0.409 1.00 25.00 H new ATOM 0 HA ARG A 49 7.412 12.233 -0.404 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.693 10.319 -2.603 1.00 25.00 H new ATOM 0 HB3 ARG A 49 5.643 11.680 -2.261 1.00 25.00 H new ATOM 0 HG2 ARG A 49 8.052 12.957 -2.329 1.00 25.00 H new ATOM 0 HG3 ARG A 49 8.377 11.639 -3.438 1.00 25.00 H new ATOM 0 HD2 ARG A 49 6.464 12.225 -4.821 1.00 25.00 H new ATOM 0 HD3 ARG A 49 5.891 13.383 -3.637 1.00 25.00 H new ATOM 0 HE ARG A 49 7.585 14.925 -4.280 1.00 25.00 H new ATOM 0 HH11 ARG A 49 7.900 11.906 -6.115 1.00 25.00 H new ATOM 0 HH12 ARG A 49 8.981 12.653 -7.296 1.00 25.00 H new ATOM 0 HH21 ARG A 49 8.926 15.781 -5.777 1.00 25.00 H new ATOM 0 HH22 ARG A 49 9.549 14.799 -7.107 1.00 25.00 H new ATOM 762 N SER A 50 4.773 11.597 0.087 1.00 25.00 N ATOM 763 CA SER A 50 3.496 11.213 0.686 1.00 25.00 C ATOM 764 C SER A 50 2.663 10.545 -0.411 1.00 25.00 C ATOM 765 O SER A 50 2.814 10.893 -1.590 1.00 25.00 O ATOM 766 CB SER A 50 2.777 12.459 1.187 1.00 25.00 C ATOM 767 OG SER A 50 2.670 13.406 0.137 1.00 25.00 O ATOM 0 H SER A 50 4.760 12.513 -0.362 1.00 25.00 H new ATOM 0 HA SER A 50 3.646 10.535 1.526 1.00 25.00 H new ATOM 0 HB2 SER A 50 1.785 12.195 1.554 1.00 25.00 H new ATOM 0 HB3 SER A 50 3.322 12.892 2.026 1.00 25.00 H new ATOM 0 HG SER A 50 2.205 14.205 0.463 1.00 25.00 H new ATOM 773 N CYS A 51 1.780 9.629 -0.033 1.00 25.00 N ATOM 774 CA CYS A 51 0.952 8.902 -1.001 1.00 25.00 C ATOM 775 C CYS A 51 -0.528 8.951 -0.630 1.00 25.00 C ATOM 776 O CYS A 51 -0.884 9.287 0.496 1.00 25.00 O ATOM 777 CB CYS A 51 1.427 7.451 -1.105 1.00 25.00 C ATOM 778 SG CYS A 51 1.391 6.526 0.463 1.00 25.00 S ATOM 0 H CYS A 51 1.615 9.368 0.939 1.00 25.00 H new ATOM 0 HA CYS A 51 1.062 9.390 -1.970 1.00 25.00 H new ATOM 0 HB2 CYS A 51 0.805 6.930 -1.833 1.00 25.00 H new ATOM 0 HB3 CYS A 51 2.446 7.443 -1.493 1.00 25.00 H new ATOM 783 N ASP A 52 -1.377 8.646 -1.604 1.00 25.00 N ATOM 784 CA ASP A 52 -2.836 8.696 -1.428 1.00 25.00 C ATOM 785 C ASP A 52 -3.399 7.292 -1.221 1.00 25.00 C ATOM 786 O ASP A 52 -2.806 6.305 -1.648 1.00 25.00 O ATOM 787 CB ASP A 52 -3.482 9.305 -2.673 1.00 25.00 C ATOM 788 CG ASP A 52 -4.943 9.636 -2.455 1.00 25.00 C ATOM 789 OD1 ASP A 52 -5.802 8.802 -2.808 1.00 25.00 O ATOM 790 OD2 ASP A 52 -5.231 10.683 -1.857 1.00 25.00 O ATOM 0 H ASP A 52 -1.082 8.357 -2.537 1.00 25.00 H new ATOM 0 HA ASP A 52 -3.057 9.306 -0.552 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -2.944 10.211 -2.953 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -3.389 8.608 -3.506 1.00 25.00 H new ATOM 795 N LEU A 53 -4.579 7.215 -0.621 1.00 25.00 N ATOM 796 CA LEU A 53 -5.280 5.946 -0.427 1.00 25.00 C ATOM 797 C LEU A 53 -5.559 5.227 -1.751 1.00 25.00 C ATOM 798 O LEU A 53 -5.377 4.010 -1.858 1.00 25.00 O ATOM 799 CB LEU A 53 -6.617 6.230 0.269 1.00 25.00 C ATOM 800 CG LEU A 53 -7.516 5.015 0.563 1.00 25.00 C ATOM 801 CD1 LEU A 53 -6.894 4.100 1.604 1.00 25.00 C ATOM 802 CD2 LEU A 53 -8.884 5.502 1.058 1.00 25.00 C ATOM 0 H LEU A 53 -5.079 8.025 -0.255 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.643 5.299 0.175 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -6.409 6.735 1.212 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -7.181 6.929 -0.349 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.631 4.446 -0.359 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -7.556 3.253 1.786 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -5.932 3.737 1.241 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.747 4.652 2.532 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -9.522 4.643 1.267 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.754 6.088 1.968 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -9.349 6.122 0.291 1.00 25.00 H new ATOM 814 N ALA A 54 -6.009 5.976 -2.754 1.00 25.00 N ATOM 815 CA ALA A 54 -6.368 5.398 -4.047 1.00 25.00 C ATOM 816 C ALA A 54 -5.123 4.904 -4.771 1.00 25.00 C ATOM 817 O ALA A 54 -5.157 3.895 -5.466 1.00 25.00 O ATOM 818 CB ALA A 54 -7.111 6.432 -4.898 1.00 25.00 C ATOM 0 H ALA A 54 -6.134 6.987 -2.697 1.00 25.00 H new ATOM 0 HA ALA A 54 -7.028 4.547 -3.880 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -7.374 5.991 -5.859 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -8.019 6.744 -4.381 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -6.470 7.299 -5.060 1.00 25.00 H new ATOM 824 N LEU A 55 -4.020 5.609 -4.580 1.00 25.00 N ATOM 825 CA LEU A 55 -2.759 5.211 -5.170 1.00 25.00 C ATOM 826 C LEU A 55 -2.277 3.933 -4.496 1.00 25.00 C ATOM 827 O LEU A 55 -1.891 2.981 -5.161 1.00 25.00 O ATOM 828 CB LEU A 55 -1.746 6.341 -4.982 1.00 25.00 C ATOM 829 CG LEU A 55 -0.269 5.952 -5.140 1.00 25.00 C ATOM 830 CD1 LEU A 55 0.038 5.340 -6.504 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.592 7.182 -4.915 1.00 25.00 C ATOM 0 H LEU A 55 -3.976 6.460 -4.020 1.00 25.00 H new ATOM 0 HA LEU A 55 -2.877 5.019 -6.236 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -1.973 7.129 -5.700 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -1.885 6.766 -3.988 1.00 25.00 H new ATOM 0 HG LEU A 55 -0.045 5.186 -4.397 1.00 25.00 H new ATOM 0 HD11 LEU A 55 1.096 5.085 -6.558 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.560 4.439 -6.642 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.203 6.058 -7.288 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.643 6.915 -5.025 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.333 7.947 -5.647 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.419 7.568 -3.911 1.00 25.00 H new ATOM 843 N LEU A 56 -2.326 3.901 -3.175 1.00 25.00 N ATOM 844 CA LEU A 56 -1.843 2.758 -2.419 1.00 25.00 C ATOM 845 C LEU A 56 -2.625 1.494 -2.785 1.00 25.00 C ATOM 846 O LEU A 56 -2.067 0.397 -2.862 1.00 25.00 O ATOM 847 CB LEU A 56 -1.950 3.065 -0.913 1.00 25.00 C ATOM 848 CG LEU A 56 -1.060 2.234 0.020 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.670 3.073 1.232 1.00 25.00 C ATOM 850 CD2 LEU A 56 -1.742 0.960 0.498 1.00 25.00 C ATOM 0 H LEU A 56 -2.698 4.658 -2.601 1.00 25.00 H new ATOM 0 HA LEU A 56 -0.798 2.575 -2.669 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.713 4.118 -0.762 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -2.987 2.925 -0.609 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.179 1.943 -0.551 1.00 25.00 H new ATOM 0 HD11 LEU A 56 -0.038 2.483 1.895 1.00 25.00 H new ATOM 0 HD12 LEU A 56 -0.124 3.957 0.902 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.569 3.380 1.766 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -1.068 0.411 1.155 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.651 1.216 1.043 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -1.997 0.340 -0.361 1.00 25.00 H new ATOM 862 N GLU A 57 -3.903 1.675 -3.086 1.00 25.00 N ATOM 863 CA GLU A 57 -4.781 0.583 -3.490 1.00 25.00 C ATOM 864 C GLU A 57 -4.332 -0.132 -4.774 1.00 25.00 C ATOM 865 O GLU A 57 -4.658 -1.293 -4.991 1.00 25.00 O ATOM 866 CB GLU A 57 -6.194 1.146 -3.689 1.00 25.00 C ATOM 867 CG GLU A 57 -7.288 0.095 -3.777 1.00 25.00 C ATOM 868 CD GLU A 57 -8.659 0.698 -3.827 1.00 25.00 C ATOM 869 OE1 GLU A 57 -9.055 1.389 -4.724 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.395 0.393 -2.803 1.00 25.00 O ATOM 0 H GLU A 57 -4.363 2.585 -3.057 1.00 25.00 H new ATOM 0 HA GLU A 57 -4.750 -0.165 -2.698 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.422 1.820 -2.863 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.208 1.743 -4.601 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -7.130 -0.516 -4.666 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.218 -0.571 -2.917 1.00 25.00 H new ATOM 878 N THR A 58 -3.573 0.549 -5.625 1.00 25.00 N ATOM 879 CA THR A 58 -3.152 -0.044 -6.900 1.00 25.00 C ATOM 880 C THR A 58 -2.105 -1.156 -6.733 1.00 25.00 C ATOM 881 O THR A 58 -1.866 -1.924 -7.662 1.00 25.00 O ATOM 882 CB THR A 58 -2.613 1.033 -7.870 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.387 1.582 -7.374 1.00 25.00 O ATOM 884 CG2 THR A 58 -3.627 2.166 -8.024 1.00 25.00 C ATOM 0 H THR A 58 -3.238 1.499 -5.464 1.00 25.00 H new ATOM 0 HA THR A 58 -4.048 -0.498 -7.322 1.00 25.00 H new ATOM 0 HB THR A 58 -2.440 0.559 -8.836 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.507 1.860 -6.442 1.00 25.00 H new ATOM 0 HG21 THR A 58 -3.233 2.916 -8.710 1.00 25.00 H new ATOM 0 HG22 THR A 58 -4.561 1.767 -8.420 1.00 25.00 H new ATOM 0 HG23 THR A 58 -3.811 2.624 -7.052 1.00 25.00 H new ATOM 892 N TYR A 59 -1.502 -1.250 -5.554 1.00 25.00 N ATOM 893 CA TYR A 59 -0.510 -2.295 -5.272 1.00 25.00 C ATOM 894 C TYR A 59 -1.148 -3.545 -4.671 1.00 25.00 C ATOM 895 O TYR A 59 -0.457 -4.535 -4.388 1.00 25.00 O ATOM 896 CB TYR A 59 0.551 -1.751 -4.313 1.00 25.00 C ATOM 897 CG TYR A 59 1.476 -0.753 -4.972 1.00 25.00 C ATOM 898 CD1 TYR A 59 1.087 0.591 -5.141 1.00 25.00 C ATOM 899 CD2 TYR A 59 2.744 -1.149 -5.440 1.00 25.00 C ATOM 900 CE1 TYR A 59 1.951 1.524 -5.764 1.00 25.00 C ATOM 901 CE2 TYR A 59 3.615 -0.209 -6.054 1.00 25.00 C ATOM 902 CZ TYR A 59 3.212 1.125 -6.194 1.00 25.00 C ATOM 903 OH TYR A 59 4.068 2.031 -6.762 1.00 25.00 O ATOM 0 H TYR A 59 -1.679 -0.617 -4.774 1.00 25.00 H new ATOM 0 HA TYR A 59 -0.052 -2.579 -6.220 1.00 25.00 H new ATOM 0 HB2 TYR A 59 0.059 -1.278 -3.463 1.00 25.00 H new ATOM 0 HB3 TYR A 59 1.139 -2.580 -3.920 1.00 25.00 H new ATOM 0 HD1 TYR A 59 0.118 0.913 -4.791 1.00 25.00 H new ATOM 0 HD2 TYR A 59 3.057 -2.177 -5.331 1.00 25.00 H new ATOM 0 HE1 TYR A 59 1.631 2.546 -5.905 1.00 25.00 H new ATOM 0 HE2 TYR A 59 4.585 -0.522 -6.412 1.00 25.00 H new ATOM 0 HH TYR A 59 3.835 2.934 -6.462 1.00 25.00 H new ATOM 913 N CYS A 60 -2.460 -3.515 -4.495 1.00 25.00 N ATOM 914 CA CYS A 60 -3.178 -4.680 -3.990 1.00 25.00 C ATOM 915 C CYS A 60 -3.198 -5.770 -5.059 1.00 25.00 C ATOM 916 O CYS A 60 -3.162 -5.489 -6.249 1.00 25.00 O ATOM 917 CB CYS A 60 -4.611 -4.303 -3.604 1.00 25.00 C ATOM 918 SG CYS A 60 -4.712 -3.016 -2.328 1.00 25.00 S ATOM 0 H CYS A 60 -3.047 -2.705 -4.692 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.667 -5.050 -3.101 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -5.139 -3.961 -4.494 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -5.128 -5.194 -3.249 1.00 25.00 H new ATOM 923 N ALA A 61 -3.227 -7.016 -4.620 1.00 25.00 N ATOM 924 CA ALA A 61 -3.232 -8.134 -5.547 1.00 25.00 C ATOM 925 C ALA A 61 -4.611 -8.244 -6.195 1.00 25.00 C ATOM 926 O ALA A 61 -5.622 -7.847 -5.610 1.00 25.00 O ATOM 927 CB ALA A 61 -2.878 -9.421 -4.817 1.00 25.00 C ATOM 0 H ALA A 61 -3.247 -7.278 -3.634 1.00 25.00 H new ATOM 0 HA ALA A 61 -2.486 -7.968 -6.324 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -2.885 -10.253 -5.522 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -1.886 -9.328 -4.375 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -3.609 -9.606 -4.030 1.00 25.00 H new ATOM 933 N THR A 62 -4.660 -8.814 -7.388 1.00 25.00 N ATOM 934 CA THR A 62 -5.914 -9.018 -8.081 1.00 25.00 C ATOM 935 C THR A 62 -6.730 -10.058 -7.326 1.00 25.00 C ATOM 936 O THR A 62 -6.173 -10.984 -6.732 1.00 25.00 O ATOM 937 CB THR A 62 -5.684 -9.527 -9.515 1.00 25.00 C ATOM 938 OG1 THR A 62 -4.845 -10.684 -9.480 1.00 25.00 O ATOM 939 CG2 THR A 62 -4.992 -8.470 -10.364 1.00 25.00 C ATOM 0 H THR A 62 -3.839 -9.144 -7.896 1.00 25.00 H new ATOM 0 HA THR A 62 -6.439 -8.064 -8.128 1.00 25.00 H new ATOM 0 HB THR A 62 -6.656 -9.762 -9.949 1.00 25.00 H new ATOM 0 HG1 THR A 62 -4.699 -11.010 -10.393 1.00 25.00 H new ATOM 0 HG21 THR A 62 -4.841 -8.855 -11.373 1.00 25.00 H new ATOM 0 HG22 THR A 62 -5.612 -7.574 -10.406 1.00 25.00 H new ATOM 0 HG23 THR A 62 -4.027 -8.223 -9.922 1.00 25.00 H new ATOM 947 N PRO A 63 -8.060 -9.934 -7.348 1.00 25.00 N ATOM 948 CA PRO A 63 -8.897 -10.901 -6.631 1.00 25.00 C ATOM 949 C PRO A 63 -8.862 -12.273 -7.288 1.00 25.00 C ATOM 950 O PRO A 63 -8.437 -12.416 -8.433 1.00 25.00 O ATOM 951 CB PRO A 63 -10.289 -10.261 -6.692 1.00 25.00 C ATOM 952 CG PRO A 63 -10.273 -9.478 -7.949 1.00 25.00 C ATOM 953 CD PRO A 63 -8.868 -8.911 -8.029 1.00 25.00 C ATOM 0 HA PRO A 63 -8.563 -11.087 -5.610 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -11.075 -11.016 -6.703 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -10.472 -9.623 -5.827 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -10.496 -10.107 -8.811 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -11.020 -8.685 -7.931 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -8.549 -8.766 -9.061 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -8.795 -7.943 -7.534 1.00 25.00 H new ATOM 961 N ALA A 64 -9.297 -13.273 -6.534 1.00 25.00 N ATOM 962 CA ALA A 64 -9.285 -14.661 -6.987 1.00 25.00 C ATOM 963 C ALA A 64 -10.092 -14.824 -8.275 1.00 25.00 C ATOM 964 O ALA A 64 -11.026 -14.067 -8.542 1.00 25.00 O ATOM 965 CB ALA A 64 -9.846 -15.572 -5.884 1.00 25.00 C ATOM 0 H ALA A 64 -9.668 -13.148 -5.592 1.00 25.00 H new ATOM 0 HA ALA A 64 -8.255 -14.948 -7.199 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -9.835 -16.607 -6.226 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -9.232 -15.480 -4.988 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -10.870 -15.277 -5.654 1.00 25.00 H new ATOM 971 N LYS A 65 -9.717 -15.822 -9.061 1.00 25.00 N ATOM 972 CA LYS A 65 -10.354 -16.107 -10.342 1.00 25.00 C ATOM 973 C LYS A 65 -10.664 -17.591 -10.389 1.00 25.00 C ATOM 974 O LYS A 65 -10.008 -18.370 -9.701 1.00 25.00 O ATOM 975 CB LYS A 65 -9.414 -15.727 -11.479 1.00 25.00 C ATOM 976 CG LYS A 65 -9.107 -14.249 -11.527 1.00 25.00 C ATOM 977 CD LYS A 65 -8.333 -13.893 -12.783 1.00 25.00 C ATOM 978 CE LYS A 65 -7.959 -12.421 -12.778 1.00 25.00 C ATOM 979 NZ LYS A 65 -9.176 -11.550 -12.687 1.00 25.00 N ATOM 0 H LYS A 65 -8.958 -16.462 -8.828 1.00 25.00 H new ATOM 0 HA LYS A 65 -11.272 -15.530 -10.451 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -8.482 -16.282 -11.372 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -9.859 -16.030 -12.427 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -10.036 -13.680 -11.495 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -8.529 -13.966 -10.647 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -7.432 -14.503 -12.847 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -8.934 -14.119 -13.664 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -7.298 -12.214 -11.937 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -7.405 -12.181 -13.685 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -8.920 -10.570 -12.922 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -9.897 -11.889 -13.356 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -9.557 -11.586 -11.720 1.00 25.00 H new ATOM 993 N SER A 66 -11.683 -17.972 -11.144 1.00 25.00 N ATOM 994 CA SER A 66 -12.124 -19.370 -11.207 1.00 25.00 C ATOM 995 C SER A 66 -12.996 -19.567 -12.450 1.00 25.00 C ATOM 996 O SER A 66 -14.223 -19.531 -12.392 1.00 25.00 O ATOM 997 CB SER A 66 -12.914 -19.739 -9.941 1.00 25.00 C ATOM 998 OG SER A 66 -13.098 -21.147 -9.832 1.00 25.00 O ATOM 0 H SER A 66 -12.226 -17.335 -11.726 1.00 25.00 H new ATOM 0 HA SER A 66 -11.252 -20.021 -11.268 1.00 25.00 H new ATOM 0 HB2 SER A 66 -12.386 -19.371 -9.061 1.00 25.00 H new ATOM 0 HB3 SER A 66 -13.885 -19.245 -9.960 1.00 25.00 H new ATOM 0 HG SER A 66 -13.602 -21.349 -9.016 1.00 25.00 H new ATOM 1004 N GLU A 67 -12.352 -19.727 -13.597 1.00 25.00 N ATOM 1005 CA GLU A 67 -13.031 -19.826 -14.897 1.00 25.00 C ATOM 1006 C GLU A 67 -12.310 -20.743 -15.891 1.00 25.00 C ATOM 1007 O GLU A 67 -11.061 -20.971 -15.621 1.00 25.00 O ATOM 1008 CB GLU A 67 -13.284 -18.415 -15.511 1.00 25.00 C ATOM 1009 CG GLU A 67 -11.974 -17.626 -15.796 1.00 25.00 C ATOM 1010 CD GLU A 67 -11.304 -17.163 -14.528 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -11.908 -16.419 -13.773 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -10.201 -17.601 -14.272 1.00 25.00 O ATOM 0 H GLU A 67 -11.336 -19.793 -13.661 1.00 25.00 H new ATOM 0 HA GLU A 67 -13.995 -20.294 -14.699 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -13.843 -18.525 -16.440 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -13.908 -17.836 -14.830 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -11.286 -18.257 -16.359 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -12.200 -16.763 -16.422 1.00 25.00 H new TER 1019 GLU A 67