USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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+ -113:sc= 0.0693 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -48:sc= 1.13 USER MOD Single : A 10 TYR OH : rot 168:sc= 0.462 USER MOD Single : A 12 TYR OH : rot -177:sc= 1.21 USER MOD Single : A 21 ASN : amide:sc= -0.0972 X(o=-0.097,f=0.069) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -60:sc= -1.82 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 51:sc= 0.242 USER MOD Single : A 45 LYS NZ :NH3+ 170:sc=-0.00217 (180deg=-0.117) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0742 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.628 -8.941 -3.562 1.00 0.00 N ATOM 2 CA ALA A 1 3.188 -7.576 -3.784 1.00 0.00 C ATOM 3 C ALA A 1 2.703 -6.622 -2.689 1.00 0.00 C ATOM 4 O ALA A 1 1.717 -6.877 -2.025 1.00 0.00 O ATOM 5 CB ALA A 1 2.652 -7.144 -5.148 1.00 0.00 C ATOM 0 H1 ALA A 1 3.398 -9.597 -3.320 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.940 -8.911 -2.783 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.155 -9.267 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 1 4.278 -7.567 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.021 -6.146 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.990 -7.846 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.562 -7.132 -5.124 1.00 0.00 H new ATOM 13 N LYS A 2 3.392 -5.525 -2.499 1.00 0.00 N ATOM 14 CA LYS A 2 2.979 -4.547 -1.448 1.00 0.00 C ATOM 15 C LYS A 2 2.628 -3.198 -2.085 1.00 0.00 C ATOM 16 O LYS A 2 2.792 -3.005 -3.276 1.00 0.00 O ATOM 17 CB LYS A 2 4.197 -4.410 -0.537 1.00 0.00 C ATOM 18 CG LYS A 2 4.378 -5.694 0.273 1.00 0.00 C ATOM 19 CD LYS A 2 5.651 -5.592 1.116 1.00 0.00 C ATOM 20 CE LYS A 2 5.443 -6.317 2.448 1.00 0.00 C ATOM 21 NZ LYS A 2 6.638 -5.971 3.267 1.00 0.00 N ATOM 0 H LYS A 2 4.224 -5.264 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 2 2.095 -4.877 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.089 -4.215 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.069 -3.560 0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.514 -5.854 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.440 -6.553 -0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.492 -6.031 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.898 -4.546 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.524 -5.992 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.363 -7.394 2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.567 -6.432 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.498 -6.299 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.684 -4.940 3.395 1.00 0.00 H new ATOM 35 N TRP A 3 2.144 -2.266 -1.301 1.00 0.00 N ATOM 36 CA TRP A 3 1.775 -0.926 -1.858 1.00 0.00 C ATOM 37 C TRP A 3 2.192 0.172 -0.880 1.00 0.00 C ATOM 38 O TRP A 3 1.628 0.299 0.191 1.00 0.00 O ATOM 39 CB TRP A 3 0.250 -0.950 -2.002 1.00 0.00 C ATOM 40 CG TRP A 3 -0.134 -1.608 -3.289 1.00 0.00 C ATOM 41 CD1 TRP A 3 -0.018 -2.927 -3.571 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.711 -0.990 -4.470 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.471 -3.150 -4.859 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.912 -1.984 -5.454 1.00 0.00 C ATOM 45 CE3 TRP A 3 -1.067 0.329 -4.774 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.453 -1.674 -6.703 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.614 0.649 -6.028 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.805 -0.352 -6.992 1.00 0.00 C ATOM 0 H TRP A 3 1.988 -2.375 -0.299 1.00 0.00 H new ATOM 0 HA TRP A 3 2.268 -0.727 -2.809 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.194 -1.487 -1.164 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.142 0.067 -1.973 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.365 -3.682 -2.900 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.478 -4.063 -5.313 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.920 1.107 -4.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.599 -2.449 -7.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.888 1.670 -6.251 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.223 -0.102 -7.956 1.00 0.00 H new ATOM 59 N VAL A 4 3.177 0.961 -1.231 1.00 0.00 N ATOM 60 CA VAL A 4 3.630 2.041 -0.306 1.00 0.00 C ATOM 61 C VAL A 4 2.734 3.276 -0.420 1.00 0.00 C ATOM 62 O VAL A 4 2.163 3.557 -1.457 1.00 0.00 O ATOM 63 CB VAL A 4 5.074 2.365 -0.719 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.112 2.836 -2.177 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.636 3.467 0.190 1.00 0.00 C ATOM 0 H VAL A 4 3.684 0.903 -2.114 1.00 0.00 H new ATOM 0 HA VAL A 4 3.575 1.723 0.735 1.00 0.00 H new ATOM 0 HB VAL A 4 5.681 1.465 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.140 3.063 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.723 2.049 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.500 3.731 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.660 3.695 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.023 4.364 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.624 3.126 1.225 1.00 0.00 H new ATOM 75 N LEU A 5 2.617 4.008 0.655 1.00 0.00 N ATOM 76 CA LEU A 5 1.773 5.231 0.659 1.00 0.00 C ATOM 77 C LEU A 5 2.665 6.472 0.780 1.00 0.00 C ATOM 78 O LEU A 5 3.374 6.642 1.753 1.00 0.00 O ATOM 79 CB LEU A 5 0.888 5.075 1.899 1.00 0.00 C ATOM 80 CG LEU A 5 -0.560 5.410 1.551 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.443 5.168 2.774 1.00 0.00 C ATOM 82 CD2 LEU A 5 -0.661 6.877 1.132 1.00 0.00 C ATOM 0 H LEU A 5 3.078 3.805 1.542 1.00 0.00 H new ATOM 0 HA LEU A 5 1.185 5.350 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.953 4.055 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.241 5.732 2.693 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.892 4.776 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.478 5.406 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.373 4.122 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.109 5.803 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.696 7.114 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.330 7.513 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.030 7.051 0.260 1.00 0.00 H new ATOM 94 N LYS A 6 2.639 7.331 -0.207 1.00 0.00 N ATOM 95 CA LYS A 6 3.493 8.563 -0.163 1.00 0.00 C ATOM 96 C LYS A 6 3.226 9.379 1.110 1.00 0.00 C ATOM 97 O LYS A 6 4.050 10.174 1.524 1.00 0.00 O ATOM 98 CB LYS A 6 3.097 9.370 -1.403 1.00 0.00 C ATOM 99 CG LYS A 6 3.485 8.593 -2.661 1.00 0.00 C ATOM 100 CD LYS A 6 4.897 8.991 -3.093 1.00 0.00 C ATOM 101 CE LYS A 6 5.183 8.429 -4.488 1.00 0.00 C ATOM 102 NZ LYS A 6 4.911 9.558 -5.420 1.00 0.00 N ATOM 0 H LYS A 6 2.064 7.235 -1.044 1.00 0.00 H new ATOM 0 HA LYS A 6 4.554 8.312 -0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.024 9.562 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.595 10.340 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.441 7.521 -2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.776 8.801 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.994 10.077 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.628 8.610 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.215 8.087 -4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.545 7.573 -4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.085 9.250 -6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.920 9.858 -5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.538 10.356 -5.191 1.00 0.00 H new ATOM 116 N ILE A 7 2.085 9.195 1.730 1.00 0.00 N ATOM 117 CA ILE A 7 1.771 9.969 2.973 1.00 0.00 C ATOM 118 C ILE A 7 2.752 9.603 4.097 1.00 0.00 C ATOM 119 O ILE A 7 3.467 10.449 4.600 1.00 0.00 O ATOM 120 CB ILE A 7 0.337 9.574 3.350 1.00 0.00 C ATOM 121 CG1 ILE A 7 -0.616 9.986 2.223 1.00 0.00 C ATOM 122 CG2 ILE A 7 -0.077 10.287 4.643 1.00 0.00 C ATOM 123 CD1 ILE A 7 -2.028 9.476 2.528 1.00 0.00 C ATOM 0 H ILE A 7 1.359 8.544 1.430 1.00 0.00 H new ATOM 0 HA ILE A 7 1.863 11.044 2.817 1.00 0.00 H new ATOM 0 HB ILE A 7 0.291 8.495 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.625 11.071 2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.269 9.579 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.096 10.002 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.599 10.000 5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.028 11.366 4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.703 9.771 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.013 8.389 2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.374 9.905 3.468 1.00 0.00 H new ATOM 135 N THR A 8 2.783 8.356 4.500 1.00 0.00 N ATOM 136 CA THR A 8 3.710 7.949 5.602 1.00 0.00 C ATOM 137 C THR A 8 4.425 6.634 5.264 1.00 0.00 C ATOM 138 O THR A 8 4.779 5.872 6.145 1.00 0.00 O ATOM 139 CB THR A 8 2.814 7.778 6.836 1.00 0.00 C ATOM 140 OG1 THR A 8 3.607 7.367 7.940 1.00 0.00 O ATOM 141 CG2 THR A 8 1.735 6.725 6.563 1.00 0.00 C ATOM 0 H THR A 8 2.209 7.605 4.116 1.00 0.00 H new ATOM 0 HA THR A 8 4.494 8.689 5.764 1.00 0.00 H new ATOM 0 HB THR A 8 2.332 8.729 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.191 6.629 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.105 6.612 7.445 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.123 7.042 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.208 5.771 6.330 1.00 0.00 H new ATOM 149 N GLY A 9 4.647 6.369 4.001 1.00 0.00 N ATOM 150 CA GLY A 9 5.349 5.111 3.607 1.00 0.00 C ATOM 151 C GLY A 9 4.561 3.887 4.086 1.00 0.00 C ATOM 152 O GLY A 9 5.109 2.810 4.229 1.00 0.00 O ATOM 0 H GLY A 9 4.372 6.971 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.465 5.076 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.351 5.097 4.035 1.00 0.00 H new ATOM 156 N TYR A 10 3.279 4.035 4.324 1.00 0.00 N ATOM 157 CA TYR A 10 2.456 2.868 4.780 1.00 0.00 C ATOM 158 C TYR A 10 2.499 1.778 3.693 1.00 0.00 C ATOM 159 O TYR A 10 2.371 2.064 2.518 1.00 0.00 O ATOM 160 CB TYR A 10 1.038 3.446 4.993 1.00 0.00 C ATOM 161 CG TYR A 10 -0.016 2.358 4.936 1.00 0.00 C ATOM 162 CD1 TYR A 10 -0.599 2.025 3.709 1.00 0.00 C ATOM 163 CD2 TYR A 10 -0.405 1.689 6.102 1.00 0.00 C ATOM 164 CE1 TYR A 10 -1.570 1.023 3.644 1.00 0.00 C ATOM 165 CE2 TYR A 10 -1.380 0.685 6.038 1.00 0.00 C ATOM 166 CZ TYR A 10 -1.961 0.352 4.809 1.00 0.00 C ATOM 167 OH TYR A 10 -2.920 -0.638 4.746 1.00 0.00 O ATOM 0 H TYR A 10 2.767 4.912 4.223 1.00 0.00 H new ATOM 0 HA TYR A 10 2.814 2.400 5.697 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.990 3.951 5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.831 4.196 4.230 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.298 2.543 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.046 1.946 7.049 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.019 0.766 2.696 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.683 0.168 6.937 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.935 -1.133 5.592 1.00 0.00 H new ATOM 177 N ILE A 11 2.696 0.543 4.080 1.00 0.00 N ATOM 178 CA ILE A 11 2.772 -0.559 3.068 1.00 0.00 C ATOM 179 C ILE A 11 1.639 -1.570 3.264 1.00 0.00 C ATOM 180 O ILE A 11 1.567 -2.233 4.283 1.00 0.00 O ATOM 181 CB ILE A 11 4.113 -1.261 3.324 1.00 0.00 C ATOM 182 CG1 ILE A 11 5.273 -0.247 3.330 1.00 0.00 C ATOM 183 CG2 ILE A 11 4.355 -2.312 2.240 1.00 0.00 C ATOM 184 CD1 ILE A 11 5.359 0.475 1.982 1.00 0.00 C ATOM 0 H ILE A 11 2.807 0.249 5.050 1.00 0.00 H new ATOM 0 HA ILE A 11 2.686 -0.161 2.057 1.00 0.00 H new ATOM 0 HB ILE A 11 4.071 -1.741 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.126 0.479 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.212 -0.761 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.307 -2.810 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.551 -3.048 2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.380 -1.828 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.183 1.188 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.529 -0.254 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.426 1.005 1.793 1.00 0.00 H new ATOM 196 N TYR A 12 0.785 -1.729 2.283 1.00 0.00 N ATOM 197 CA TYR A 12 -0.305 -2.743 2.405 1.00 0.00 C ATOM 198 C TYR A 12 0.263 -4.093 1.956 1.00 0.00 C ATOM 199 O TYR A 12 0.575 -4.284 0.794 1.00 0.00 O ATOM 200 CB TYR A 12 -1.442 -2.260 1.475 1.00 0.00 C ATOM 201 CG TYR A 12 -2.411 -3.393 1.160 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.300 -3.862 2.138 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.410 -3.975 -0.116 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.184 -4.908 1.835 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.295 -5.019 -0.413 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.180 -5.485 0.564 1.00 0.00 C ATOM 207 OH TYR A 12 -5.051 -6.513 0.273 1.00 0.00 O ATOM 0 H TYR A 12 0.796 -1.204 1.409 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.685 -2.857 3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.980 -1.439 1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.018 -1.871 0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.304 -3.419 3.123 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.725 -3.617 -0.871 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.870 -5.268 2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.294 -5.464 -1.397 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.887 -6.833 -0.639 1.00 0.00 H new ATOM 217 N ASP A 13 0.398 -5.022 2.863 1.00 0.00 N ATOM 218 CA ASP A 13 0.945 -6.355 2.484 1.00 0.00 C ATOM 219 C ASP A 13 -0.160 -7.181 1.834 1.00 0.00 C ATOM 220 O ASP A 13 -0.799 -7.996 2.470 1.00 0.00 O ATOM 221 CB ASP A 13 1.403 -6.988 3.800 1.00 0.00 C ATOM 222 CG ASP A 13 2.143 -8.296 3.512 1.00 0.00 C ATOM 223 OD1 ASP A 13 1.723 -9.008 2.614 1.00 0.00 O ATOM 224 OD2 ASP A 13 3.116 -8.566 4.197 1.00 0.00 O ATOM 0 H ASP A 13 0.154 -4.916 3.848 1.00 0.00 H new ATOM 0 HA ASP A 13 1.767 -6.292 1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.056 -6.300 4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.543 -7.179 4.442 1.00 0.00 H new ATOM 229 N GLU A 14 -0.391 -6.966 0.561 1.00 0.00 N ATOM 230 CA GLU A 14 -1.462 -7.726 -0.154 1.00 0.00 C ATOM 231 C GLU A 14 -1.223 -9.236 -0.044 1.00 0.00 C ATOM 232 O GLU A 14 -2.136 -10.016 -0.210 1.00 0.00 O ATOM 233 CB GLU A 14 -1.393 -7.262 -1.614 1.00 0.00 C ATOM 234 CG GLU A 14 -2.565 -7.850 -2.402 1.00 0.00 C ATOM 235 CD GLU A 14 -2.062 -8.925 -3.368 1.00 0.00 C ATOM 236 OE1 GLU A 14 -1.311 -8.583 -4.267 1.00 0.00 O ATOM 237 OE2 GLU A 14 -2.437 -10.073 -3.194 1.00 0.00 O ATOM 0 H GLU A 14 0.118 -6.295 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.445 -7.539 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.422 -6.173 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.449 -7.576 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.296 -8.279 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.073 -7.061 -2.956 1.00 0.00 H new ATOM 244 N ASP A 15 -0.016 -9.656 0.264 1.00 0.00 N ATOM 245 CA ASP A 15 0.248 -11.123 0.415 1.00 0.00 C ATOM 246 C ASP A 15 -0.603 -11.660 1.569 1.00 0.00 C ATOM 247 O ASP A 15 -1.037 -12.796 1.567 1.00 0.00 O ATOM 248 CB ASP A 15 1.739 -11.238 0.739 1.00 0.00 C ATOM 249 CG ASP A 15 2.253 -12.614 0.313 1.00 0.00 C ATOM 250 OD1 ASP A 15 2.007 -13.567 1.034 1.00 0.00 O ATOM 251 OD2 ASP A 15 2.885 -12.693 -0.728 1.00 0.00 O ATOM 0 H ASP A 15 0.791 -9.051 0.416 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.003 -11.695 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.295 -10.455 0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.901 -11.093 1.807 1.00 0.00 H new ATOM 256 N ALA A 16 -0.856 -10.825 2.547 1.00 0.00 N ATOM 257 CA ALA A 16 -1.694 -11.234 3.709 1.00 0.00 C ATOM 258 C ALA A 16 -3.002 -10.445 3.682 1.00 0.00 C ATOM 259 O ALA A 16 -4.074 -10.980 3.892 1.00 0.00 O ATOM 260 CB ALA A 16 -0.874 -10.850 4.942 1.00 0.00 C ATOM 0 H ALA A 16 -0.511 -9.866 2.587 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.941 -12.296 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.424 -11.120 5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.078 -11.381 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.690 -9.776 4.937 1.00 0.00 H new ATOM 266 N GLY A 17 -2.905 -9.166 3.425 1.00 0.00 N ATOM 267 CA GLY A 17 -4.117 -8.307 3.378 1.00 0.00 C ATOM 268 C GLY A 17 -3.919 -7.098 4.293 1.00 0.00 C ATOM 269 O GLY A 17 -3.150 -6.204 4.000 1.00 0.00 O ATOM 0 H GLY A 17 -2.027 -8.679 3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.303 -7.977 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.992 -8.876 3.693 1.00 0.00 H new ATOM 273 N ASP A 18 -4.612 -7.064 5.405 1.00 0.00 N ATOM 274 CA ASP A 18 -4.490 -5.917 6.367 1.00 0.00 C ATOM 275 C ASP A 18 -5.522 -6.090 7.492 1.00 0.00 C ATOM 276 O ASP A 18 -6.656 -5.680 7.347 1.00 0.00 O ATOM 277 CB ASP A 18 -4.798 -4.630 5.574 1.00 0.00 C ATOM 278 CG ASP A 18 -3.672 -3.613 5.783 1.00 0.00 C ATOM 279 OD1 ASP A 18 -2.580 -3.860 5.301 1.00 0.00 O ATOM 280 OD2 ASP A 18 -3.923 -2.605 6.424 1.00 0.00 O ATOM 0 H ASP A 18 -5.267 -7.791 5.693 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.494 -5.873 6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.901 -4.861 4.514 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.748 -4.208 5.902 1.00 0.00 H new ATOM 285 N PRO A 19 -5.104 -6.686 8.583 1.00 0.00 N ATOM 286 CA PRO A 19 -6.030 -6.896 9.725 1.00 0.00 C ATOM 287 C PRO A 19 -6.457 -5.554 10.341 1.00 0.00 C ATOM 288 O PRO A 19 -7.402 -5.495 11.106 1.00 0.00 O ATOM 289 CB PRO A 19 -5.207 -7.732 10.707 1.00 0.00 C ATOM 290 CG PRO A 19 -3.785 -7.439 10.355 1.00 0.00 C ATOM 291 CD PRO A 19 -3.761 -7.213 8.866 1.00 0.00 C ATOM 0 HA PRO A 19 -6.959 -7.388 9.437 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.424 -7.458 11.739 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.429 -8.794 10.606 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.425 -6.559 10.888 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.136 -8.269 10.634 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.983 -6.506 8.579 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.569 -8.138 8.322 1.00 0.00 H new ATOM 299 N ASP A 20 -5.784 -4.477 10.005 1.00 0.00 N ATOM 300 CA ASP A 20 -6.169 -3.145 10.562 1.00 0.00 C ATOM 301 C ASP A 20 -7.412 -2.620 9.836 1.00 0.00 C ATOM 302 O ASP A 20 -8.244 -1.948 10.417 1.00 0.00 O ATOM 303 CB ASP A 20 -4.969 -2.233 10.296 1.00 0.00 C ATOM 304 CG ASP A 20 -4.115 -2.124 11.561 1.00 0.00 C ATOM 305 OD1 ASP A 20 -3.978 -3.123 12.247 1.00 0.00 O ATOM 306 OD2 ASP A 20 -3.614 -1.042 11.821 1.00 0.00 O ATOM 0 H ASP A 20 -4.986 -4.466 9.370 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.409 -3.194 11.624 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.372 -2.631 9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.312 -1.244 9.990 1.00 0.00 H new ATOM 311 N ASN A 21 -7.542 -2.926 8.568 1.00 0.00 N ATOM 312 CA ASN A 21 -8.730 -2.454 7.793 1.00 0.00 C ATOM 313 C ASN A 21 -9.708 -3.611 7.532 1.00 0.00 C ATOM 314 O ASN A 21 -10.625 -3.481 6.743 1.00 0.00 O ATOM 315 CB ASN A 21 -8.157 -1.937 6.469 1.00 0.00 C ATOM 316 CG ASN A 21 -7.834 -0.447 6.599 1.00 0.00 C ATOM 317 OD1 ASN A 21 -8.699 0.390 6.435 1.00 0.00 O ATOM 318 ND2 ASN A 21 -6.616 -0.077 6.889 1.00 0.00 N ATOM 0 H ASN A 21 -6.874 -3.484 8.036 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.288 -1.688 8.333 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.257 -2.494 6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.874 -2.095 5.664 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.392 0.914 6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.889 -0.779 7.027 1.00 0.00 H new ATOM 325 N GLY A 22 -9.523 -4.742 8.180 1.00 0.00 N ATOM 326 CA GLY A 22 -10.444 -5.902 7.959 1.00 0.00 C ATOM 327 C GLY A 22 -10.436 -6.280 6.475 1.00 0.00 C ATOM 328 O GLY A 22 -11.421 -6.114 5.779 1.00 0.00 O ATOM 0 H GLY A 22 -8.773 -4.909 8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.128 -6.752 8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.455 -5.644 8.275 1.00 0.00 H new ATOM 332 N ILE A 23 -9.326 -6.771 5.987 1.00 0.00 N ATOM 333 CA ILE A 23 -9.238 -7.145 4.543 1.00 0.00 C ATOM 334 C ILE A 23 -9.321 -8.662 4.372 1.00 0.00 C ATOM 335 O ILE A 23 -9.153 -9.419 5.308 1.00 0.00 O ATOM 336 CB ILE A 23 -7.871 -6.624 4.079 1.00 0.00 C ATOM 337 CG1 ILE A 23 -7.791 -5.104 4.300 1.00 0.00 C ATOM 338 CG2 ILE A 23 -7.661 -6.940 2.591 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.837 -4.379 3.441 1.00 0.00 C ATOM 0 H ILE A 23 -8.475 -6.929 6.527 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.057 -6.721 3.962 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.091 -7.116 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.955 -4.875 5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.793 -4.746 4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.688 -6.566 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.702 -8.019 2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.444 -6.461 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.766 -3.305 3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.655 -4.593 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.834 -4.724 3.714 1.00 0.00 H new ATOM 351 N SER A 24 -9.575 -9.098 3.169 1.00 0.00 N ATOM 352 CA SER A 24 -9.671 -10.560 2.890 1.00 0.00 C ATOM 353 C SER A 24 -8.263 -11.164 2.751 1.00 0.00 C ATOM 354 O SER A 24 -7.288 -10.438 2.726 1.00 0.00 O ATOM 355 CB SER A 24 -10.430 -10.655 1.562 1.00 0.00 C ATOM 356 OG SER A 24 -11.742 -11.145 1.805 1.00 0.00 O ATOM 0 H SER A 24 -9.722 -8.497 2.358 1.00 0.00 H new ATOM 0 HA SER A 24 -10.174 -11.105 3.689 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.478 -9.675 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.903 -11.318 0.875 1.00 0.00 H new ATOM 0 HG SER A 24 -12.231 -11.205 0.958 1.00 0.00 H new ATOM 362 N PRO A 25 -8.192 -12.474 2.648 1.00 0.00 N ATOM 363 CA PRO A 25 -6.874 -13.143 2.494 1.00 0.00 C ATOM 364 C PRO A 25 -6.315 -12.850 1.101 1.00 0.00 C ATOM 365 O PRO A 25 -6.806 -13.355 0.109 1.00 0.00 O ATOM 366 CB PRO A 25 -7.200 -14.627 2.659 1.00 0.00 C ATOM 367 CG PRO A 25 -8.642 -14.748 2.287 1.00 0.00 C ATOM 368 CD PRO A 25 -9.300 -13.446 2.664 1.00 0.00 C ATOM 0 HA PRO A 25 -6.123 -12.806 3.209 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.573 -15.243 2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.027 -14.958 3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.751 -14.941 1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.108 -15.582 2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.082 -13.173 1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.767 -13.504 3.647 1.00 0.00 H new ATOM 376 N GLY A 26 -5.311 -12.014 1.018 1.00 0.00 N ATOM 377 CA GLY A 26 -4.740 -11.656 -0.310 1.00 0.00 C ATOM 378 C GLY A 26 -5.351 -10.322 -0.729 1.00 0.00 C ATOM 379 O GLY A 26 -4.896 -9.268 -0.329 1.00 0.00 O ATOM 0 H GLY A 26 -4.863 -11.564 1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.654 -11.579 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.966 -12.429 -1.045 1.00 0.00 H new ATOM 383 N THR A 27 -6.398 -10.366 -1.517 1.00 0.00 N ATOM 384 CA THR A 27 -7.089 -9.117 -1.959 1.00 0.00 C ATOM 385 C THR A 27 -6.108 -8.170 -2.637 1.00 0.00 C ATOM 386 O THR A 27 -5.353 -7.472 -1.987 1.00 0.00 O ATOM 387 CB THR A 27 -7.671 -8.495 -0.675 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.654 -9.367 -0.137 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.313 -7.136 -0.980 1.00 0.00 C ATOM 0 H THR A 27 -6.808 -11.228 -1.877 1.00 0.00 H new ATOM 0 HA THR A 27 -7.870 -9.320 -2.692 1.00 0.00 H new ATOM 0 HB THR A 27 -6.864 -8.350 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.371 -9.495 -0.792 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.719 -6.711 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.561 -6.462 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.116 -7.268 -1.705 1.00 0.00 H new ATOM 397 N LYS A 28 -6.122 -8.136 -3.941 1.00 0.00 N ATOM 398 CA LYS A 28 -5.201 -7.231 -4.666 1.00 0.00 C ATOM 399 C LYS A 28 -5.533 -5.774 -4.311 1.00 0.00 C ATOM 400 O LYS A 28 -6.666 -5.355 -4.444 1.00 0.00 O ATOM 401 CB LYS A 28 -5.450 -7.491 -6.155 1.00 0.00 C ATOM 402 CG LYS A 28 -4.324 -8.360 -6.727 1.00 0.00 C ATOM 403 CD LYS A 28 -4.774 -9.822 -6.776 1.00 0.00 C ATOM 404 CE LYS A 28 -4.243 -10.565 -5.547 1.00 0.00 C ATOM 405 NZ LYS A 28 -4.333 -12.008 -5.903 1.00 0.00 N ATOM 0 H LYS A 28 -6.734 -8.698 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.158 -7.406 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.410 -7.989 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.502 -6.545 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.060 -8.017 -7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.430 -8.265 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.862 -9.877 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.407 -10.296 -7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.216 -10.276 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.837 -10.339 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.986 -12.584 -5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.323 -12.255 -6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.752 -12.195 -6.745 1.00 0.00 H new ATOM 419 N PHE A 29 -4.572 -5.000 -3.855 1.00 0.00 N ATOM 420 CA PHE A 29 -4.863 -3.563 -3.494 1.00 0.00 C ATOM 421 C PHE A 29 -5.596 -2.851 -4.643 1.00 0.00 C ATOM 422 O PHE A 29 -6.330 -1.904 -4.428 1.00 0.00 O ATOM 423 CB PHE A 29 -3.488 -2.929 -3.258 1.00 0.00 C ATOM 424 CG PHE A 29 -3.647 -1.478 -2.860 1.00 0.00 C ATOM 425 CD1 PHE A 29 -3.775 -0.498 -3.850 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.659 -1.114 -1.508 1.00 0.00 C ATOM 427 CE1 PHE A 29 -3.914 0.847 -3.490 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.800 0.232 -1.148 1.00 0.00 C ATOM 429 CZ PHE A 29 -3.928 1.212 -2.140 1.00 0.00 C ATOM 0 H PHE A 29 -3.605 -5.294 -3.717 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.508 -3.484 -2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.957 -3.473 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.885 -3.002 -4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.767 -0.780 -4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.560 -1.870 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.010 1.603 -4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.810 0.514 -0.106 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.038 2.250 -1.863 1.00 0.00 H new ATOM 439 N GLU A 30 -5.410 -3.312 -5.853 1.00 0.00 N ATOM 440 CA GLU A 30 -6.103 -2.677 -7.015 1.00 0.00 C ATOM 441 C GLU A 30 -7.556 -3.176 -7.123 1.00 0.00 C ATOM 442 O GLU A 30 -8.324 -2.689 -7.931 1.00 0.00 O ATOM 443 CB GLU A 30 -5.292 -3.096 -8.250 1.00 0.00 C ATOM 444 CG GLU A 30 -5.258 -4.625 -8.370 1.00 0.00 C ATOM 445 CD GLU A 30 -5.324 -5.026 -9.844 1.00 0.00 C ATOM 446 OE1 GLU A 30 -6.379 -4.867 -10.435 1.00 0.00 O ATOM 447 OE2 GLU A 30 -4.317 -5.486 -10.359 1.00 0.00 O ATOM 0 H GLU A 30 -4.808 -4.101 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.154 -1.593 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.734 -2.664 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.276 -2.707 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.346 -5.015 -7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.096 -5.061 -7.826 1.00 0.00 H new ATOM 454 N GLU A 31 -7.939 -4.142 -6.316 1.00 0.00 N ATOM 455 CA GLU A 31 -9.334 -4.668 -6.375 1.00 0.00 C ATOM 456 C GLU A 31 -10.133 -4.239 -5.136 1.00 0.00 C ATOM 457 O GLU A 31 -11.348 -4.304 -5.129 1.00 0.00 O ATOM 458 CB GLU A 31 -9.182 -6.188 -6.408 1.00 0.00 C ATOM 459 CG GLU A 31 -8.551 -6.612 -7.735 1.00 0.00 C ATOM 460 CD GLU A 31 -9.074 -7.994 -8.130 1.00 0.00 C ATOM 461 OE1 GLU A 31 -10.242 -8.256 -7.891 1.00 0.00 O ATOM 462 OE2 GLU A 31 -8.297 -8.768 -8.666 1.00 0.00 O ATOM 0 H GLU A 31 -7.340 -4.586 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.874 -4.287 -7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.561 -6.520 -5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.155 -6.664 -6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.789 -5.886 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.465 -6.635 -7.643 1.00 0.00 H new ATOM 469 N LEU A 32 -9.469 -3.800 -4.086 1.00 0.00 N ATOM 470 CA LEU A 32 -10.210 -3.369 -2.853 1.00 0.00 C ATOM 471 C LEU A 32 -11.256 -2.294 -3.217 1.00 0.00 C ATOM 472 O LEU A 32 -11.120 -1.635 -4.230 1.00 0.00 O ATOM 473 CB LEU A 32 -9.140 -2.799 -1.908 1.00 0.00 C ATOM 474 CG LEU A 32 -8.599 -3.905 -0.992 1.00 0.00 C ATOM 475 CD1 LEU A 32 -7.387 -3.377 -0.222 1.00 0.00 C ATOM 476 CD2 LEU A 32 -9.674 -4.352 0.007 1.00 0.00 C ATOM 0 H LEU A 32 -8.453 -3.722 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.750 -4.193 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.325 -2.366 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.566 -1.995 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.311 -4.758 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.000 -4.161 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.612 -3.075 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.684 -2.518 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.272 -5.137 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.977 -3.503 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.538 -4.735 -0.536 1.00 0.00 H new ATOM 488 N PRO A 33 -12.279 -2.159 -2.400 1.00 0.00 N ATOM 489 CA PRO A 33 -13.343 -1.168 -2.690 1.00 0.00 C ATOM 490 C PRO A 33 -12.881 0.250 -2.343 1.00 0.00 C ATOM 491 O PRO A 33 -11.857 0.444 -1.716 1.00 0.00 O ATOM 492 CB PRO A 33 -14.493 -1.596 -1.785 1.00 0.00 C ATOM 493 CG PRO A 33 -13.854 -2.339 -0.654 1.00 0.00 C ATOM 494 CD PRO A 33 -12.543 -2.894 -1.152 1.00 0.00 C ATOM 0 HA PRO A 33 -13.618 -1.144 -3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.050 -0.732 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.200 -2.229 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.690 -1.676 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.504 -3.144 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.746 -2.740 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.609 -3.967 -1.330 1.00 0.00 H new ATOM 502 N ASP A 34 -13.639 1.238 -2.747 1.00 0.00 N ATOM 503 CA ASP A 34 -13.261 2.653 -2.444 1.00 0.00 C ATOM 504 C ASP A 34 -13.458 2.960 -0.955 1.00 0.00 C ATOM 505 O ASP A 34 -12.959 3.951 -0.454 1.00 0.00 O ATOM 506 CB ASP A 34 -14.185 3.518 -3.309 1.00 0.00 C ATOM 507 CG ASP A 34 -15.648 3.226 -2.966 1.00 0.00 C ATOM 508 OD1 ASP A 34 -16.067 2.095 -3.152 1.00 0.00 O ATOM 509 OD2 ASP A 34 -16.325 4.140 -2.524 1.00 0.00 O ATOM 0 H ASP A 34 -14.505 1.126 -3.274 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.211 2.847 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.968 4.573 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.003 3.316 -4.365 1.00 0.00 H new ATOM 514 N ASP A 35 -14.163 2.114 -0.239 1.00 0.00 N ATOM 515 CA ASP A 35 -14.363 2.357 1.220 1.00 0.00 C ATOM 516 C ASP A 35 -13.079 2.026 2.000 1.00 0.00 C ATOM 517 O ASP A 35 -13.017 2.212 3.201 1.00 0.00 O ATOM 518 CB ASP A 35 -15.496 1.416 1.633 1.00 0.00 C ATOM 519 CG ASP A 35 -16.814 1.907 1.031 1.00 0.00 C ATOM 520 OD1 ASP A 35 -17.229 3.000 1.379 1.00 0.00 O ATOM 521 OD2 ASP A 35 -17.384 1.183 0.234 1.00 0.00 O ATOM 0 H ASP A 35 -14.605 1.270 -0.603 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.602 3.399 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.284 0.403 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.573 1.377 2.720 1.00 0.00 H new ATOM 526 N TRP A 36 -12.053 1.538 1.332 1.00 0.00 N ATOM 527 CA TRP A 36 -10.784 1.202 2.045 1.00 0.00 C ATOM 528 C TRP A 36 -9.958 2.475 2.276 1.00 0.00 C ATOM 529 O TRP A 36 -9.585 3.161 1.346 1.00 0.00 O ATOM 530 CB TRP A 36 -10.051 0.231 1.110 1.00 0.00 C ATOM 531 CG TRP A 36 -8.770 -0.213 1.742 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.602 -1.358 2.445 1.00 0.00 C ATOM 533 CD2 TRP A 36 -7.479 0.458 1.741 1.00 0.00 C ATOM 534 NE1 TRP A 36 -7.291 -1.426 2.879 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.560 -0.330 2.471 1.00 0.00 C ATOM 536 CE3 TRP A 36 -7.023 1.664 1.186 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -5.233 0.066 2.644 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -5.692 2.066 1.355 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.797 1.269 2.085 1.00 0.00 C ATOM 0 H TRP A 36 -12.045 1.361 0.328 1.00 0.00 H new ATOM 0 HA TRP A 36 -10.958 0.760 3.026 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.682 -0.633 0.901 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.847 0.716 0.155 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.366 -2.097 2.635 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.911 -2.193 3.433 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.704 2.287 0.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.549 -0.553 3.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.353 2.995 0.921 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.773 1.586 2.214 1.00 0.00 H new ATOM 550 N VAL A 37 -9.672 2.785 3.516 1.00 0.00 N ATOM 551 CA VAL A 37 -8.867 4.004 3.836 1.00 0.00 C ATOM 552 C VAL A 37 -8.154 3.790 5.182 1.00 0.00 C ATOM 553 O VAL A 37 -8.788 3.593 6.201 1.00 0.00 O ATOM 554 CB VAL A 37 -9.897 5.157 3.899 1.00 0.00 C ATOM 555 CG1 VAL A 37 -9.306 6.394 4.595 1.00 0.00 C ATOM 556 CG2 VAL A 37 -10.306 5.551 2.475 1.00 0.00 C ATOM 0 H VAL A 37 -9.965 2.241 4.327 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.092 4.223 3.101 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.759 4.809 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.053 7.187 4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.013 6.134 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.432 6.739 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.032 6.363 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.426 5.878 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.751 4.692 1.973 1.00 0.00 H new ATOM 566 N ALA A 38 -6.842 3.815 5.186 1.00 0.00 N ATOM 567 CA ALA A 38 -6.090 3.597 6.462 1.00 0.00 C ATOM 568 C ALA A 38 -5.874 4.925 7.217 1.00 0.00 C ATOM 569 O ALA A 38 -6.360 5.073 8.321 1.00 0.00 O ATOM 570 CB ALA A 38 -4.756 2.969 6.049 1.00 0.00 C ATOM 0 H ALA A 38 -6.261 3.976 4.363 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.641 2.952 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.152 2.781 6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.942 2.028 5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.223 3.650 5.385 1.00 0.00 H new ATOM 576 N PRO A 39 -5.156 5.858 6.618 1.00 0.00 N ATOM 577 CA PRO A 39 -4.911 7.158 7.296 1.00 0.00 C ATOM 578 C PRO A 39 -6.199 7.989 7.321 1.00 0.00 C ATOM 579 O PRO A 39 -7.281 7.468 7.133 1.00 0.00 O ATOM 580 CB PRO A 39 -3.843 7.823 6.428 1.00 0.00 C ATOM 581 CG PRO A 39 -4.001 7.206 5.078 1.00 0.00 C ATOM 582 CD PRO A 39 -4.518 5.808 5.292 1.00 0.00 C ATOM 0 HA PRO A 39 -4.596 7.052 8.334 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.984 8.903 6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.844 7.647 6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.695 7.785 4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.049 7.188 4.548 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.231 5.524 4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.710 5.076 5.266 1.00 0.00 H new ATOM 590 N ILE A 40 -6.091 9.276 7.555 1.00 0.00 N ATOM 591 CA ILE A 40 -7.312 10.153 7.595 1.00 0.00 C ATOM 592 C ILE A 40 -8.182 9.932 6.345 1.00 0.00 C ATOM 593 O ILE A 40 -7.762 9.307 5.390 1.00 0.00 O ATOM 594 CB ILE A 40 -6.768 11.590 7.641 1.00 0.00 C ATOM 595 CG1 ILE A 40 -7.934 12.581 7.701 1.00 0.00 C ATOM 596 CG2 ILE A 40 -5.926 11.871 6.392 1.00 0.00 C ATOM 597 CD1 ILE A 40 -7.405 13.971 8.052 1.00 0.00 C ATOM 0 H ILE A 40 -5.209 9.761 7.721 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.948 9.933 8.452 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.145 11.705 8.528 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.451 12.609 6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.661 12.258 8.446 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.544 12.891 6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.090 11.172 6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.544 11.750 5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.235 14.676 8.095 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.908 13.937 9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.694 14.293 7.291 1.00 0.00 H new ATOM 609 N THR A 41 -9.394 10.434 6.354 1.00 0.00 N ATOM 610 CA THR A 41 -10.304 10.250 5.175 1.00 0.00 C ATOM 611 C THR A 41 -9.627 10.718 3.880 1.00 0.00 C ATOM 612 O THR A 41 -9.615 11.894 3.567 1.00 0.00 O ATOM 613 CB THR A 41 -11.530 11.116 5.476 1.00 0.00 C ATOM 614 OG1 THR A 41 -11.105 12.387 5.948 1.00 0.00 O ATOM 615 CG2 THR A 41 -12.388 10.436 6.543 1.00 0.00 C ATOM 0 H THR A 41 -9.794 10.964 7.128 1.00 0.00 H new ATOM 0 HA THR A 41 -10.564 9.202 5.029 1.00 0.00 H new ATOM 0 HB THR A 41 -12.118 11.243 4.567 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.436 12.757 5.335 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.260 11.054 6.756 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.714 9.461 6.181 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.803 10.308 7.454 1.00 0.00 H new ATOM 623 N GLY A 42 -9.072 9.802 3.127 1.00 0.00 N ATOM 624 CA GLY A 42 -8.400 10.182 1.849 1.00 0.00 C ATOM 625 C GLY A 42 -7.267 9.198 1.544 1.00 0.00 C ATOM 626 O GLY A 42 -6.114 9.578 1.463 1.00 0.00 O ATOM 0 H GLY A 42 -9.056 8.805 3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.123 10.182 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.004 11.195 1.923 1.00 0.00 H new ATOM 630 N ALA A 43 -7.587 7.939 1.369 1.00 0.00 N ATOM 631 CA ALA A 43 -6.528 6.930 1.061 1.00 0.00 C ATOM 632 C ALA A 43 -7.012 5.940 -0.017 1.00 0.00 C ATOM 633 O ALA A 43 -6.913 4.743 0.165 1.00 0.00 O ATOM 634 CB ALA A 43 -6.278 6.207 2.381 1.00 0.00 C ATOM 0 H ALA A 43 -8.535 7.567 1.426 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.623 7.395 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.510 5.447 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.945 6.924 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.200 5.733 2.717 1.00 0.00 H new ATOM 640 N PRO A 44 -7.513 6.464 -1.115 1.00 0.00 N ATOM 641 CA PRO A 44 -7.994 5.588 -2.213 1.00 0.00 C ATOM 642 C PRO A 44 -6.812 4.886 -2.893 1.00 0.00 C ATOM 643 O PRO A 44 -5.721 4.835 -2.356 1.00 0.00 O ATOM 644 CB PRO A 44 -8.691 6.555 -3.171 1.00 0.00 C ATOM 645 CG PRO A 44 -8.061 7.882 -2.900 1.00 0.00 C ATOM 646 CD PRO A 44 -7.682 7.889 -1.443 1.00 0.00 C ATOM 0 HA PRO A 44 -8.657 4.794 -1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.549 6.254 -4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.766 6.583 -2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.183 8.030 -3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.754 8.693 -3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.763 8.450 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.457 8.351 -0.831 1.00 0.00 H new ATOM 654 N LYS A 45 -7.026 4.338 -4.062 1.00 0.00 N ATOM 655 CA LYS A 45 -5.920 3.623 -4.777 1.00 0.00 C ATOM 656 C LYS A 45 -5.047 4.609 -5.561 1.00 0.00 C ATOM 657 O LYS A 45 -3.922 4.309 -5.909 1.00 0.00 O ATOM 658 CB LYS A 45 -6.611 2.645 -5.745 1.00 0.00 C ATOM 659 CG LYS A 45 -7.681 1.809 -5.018 1.00 0.00 C ATOM 660 CD LYS A 45 -7.076 1.131 -3.786 1.00 0.00 C ATOM 661 CE LYS A 45 -8.170 0.386 -3.020 1.00 0.00 C ATOM 662 NZ LYS A 45 -7.552 0.035 -1.712 1.00 0.00 N ATOM 0 H LYS A 45 -7.919 4.354 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.265 3.108 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.072 3.201 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.868 1.983 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.511 2.449 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.086 1.056 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.293 0.436 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.609 1.876 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.053 1.011 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.491 -0.506 -3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.284 -0.325 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.827 -0.696 -1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.112 0.881 -1.297 1.00 0.00 H new ATOM 676 N SER A 46 -5.561 5.778 -5.846 1.00 0.00 N ATOM 677 CA SER A 46 -4.765 6.784 -6.616 1.00 0.00 C ATOM 678 C SER A 46 -3.732 7.490 -5.723 1.00 0.00 C ATOM 679 O SER A 46 -3.006 8.352 -6.182 1.00 0.00 O ATOM 680 CB SER A 46 -5.794 7.790 -7.132 1.00 0.00 C ATOM 681 OG SER A 46 -6.677 8.142 -6.075 1.00 0.00 O ATOM 0 H SER A 46 -6.498 6.081 -5.579 1.00 0.00 H new ATOM 0 HA SER A 46 -4.200 6.312 -7.420 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.291 8.679 -7.513 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.355 7.361 -7.962 1.00 0.00 H new ATOM 0 HG SER A 46 -7.337 8.788 -6.402 1.00 0.00 H new ATOM 687 N GLU A 47 -3.657 7.144 -4.457 1.00 0.00 N ATOM 688 CA GLU A 47 -2.669 7.811 -3.556 1.00 0.00 C ATOM 689 C GLU A 47 -1.604 6.816 -3.075 1.00 0.00 C ATOM 690 O GLU A 47 -0.944 7.047 -2.079 1.00 0.00 O ATOM 691 CB GLU A 47 -3.499 8.321 -2.377 1.00 0.00 C ATOM 692 CG GLU A 47 -2.643 9.249 -1.511 1.00 0.00 C ATOM 693 CD GLU A 47 -3.517 10.371 -0.948 1.00 0.00 C ATOM 694 OE1 GLU A 47 -4.344 10.879 -1.687 1.00 0.00 O ATOM 695 OE2 GLU A 47 -3.343 10.704 0.212 1.00 0.00 O ATOM 0 H GLU A 47 -4.236 6.431 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.132 8.613 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.377 8.854 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.859 7.481 -1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.187 8.686 -0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.830 9.669 -2.103 1.00 0.00 H new ATOM 702 N PHE A 48 -1.427 5.715 -3.770 1.00 0.00 N ATOM 703 CA PHE A 48 -0.398 4.718 -3.341 1.00 0.00 C ATOM 704 C PHE A 48 0.631 4.485 -4.450 1.00 0.00 C ATOM 705 O PHE A 48 0.633 5.149 -5.468 1.00 0.00 O ATOM 706 CB PHE A 48 -1.155 3.417 -3.083 1.00 0.00 C ATOM 707 CG PHE A 48 -1.790 3.450 -1.723 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.796 4.375 -1.433 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.367 2.542 -0.753 1.00 0.00 C ATOM 710 CE1 PHE A 48 -3.381 4.392 -0.164 1.00 0.00 C ATOM 711 CE2 PHE A 48 -1.948 2.558 0.514 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.956 3.483 0.813 1.00 0.00 C ATOM 0 H PHE A 48 -1.949 5.467 -4.611 1.00 0.00 H new ATOM 0 HA PHE A 48 0.137 5.071 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.920 3.275 -3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.473 2.570 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.121 5.076 -2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.590 1.827 -0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.160 5.105 0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.620 1.856 1.266 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.405 3.495 1.795 1.00 0.00 H new ATOM 722 N GLU A 49 1.493 3.522 -4.252 1.00 0.00 N ATOM 723 CA GLU A 49 2.520 3.190 -5.267 1.00 0.00 C ATOM 724 C GLU A 49 3.035 1.772 -5.011 1.00 0.00 C ATOM 725 O GLU A 49 3.511 1.470 -3.932 1.00 0.00 O ATOM 726 CB GLU A 49 3.632 4.222 -5.074 1.00 0.00 C ATOM 727 CG GLU A 49 4.353 4.453 -6.404 1.00 0.00 C ATOM 728 CD GLU A 49 5.801 4.863 -6.136 1.00 0.00 C ATOM 729 OE1 GLU A 49 6.523 4.070 -5.555 1.00 0.00 O ATOM 730 OE2 GLU A 49 6.163 5.965 -6.515 1.00 0.00 O ATOM 0 H GLU A 49 1.524 2.945 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 49 2.134 3.219 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.213 5.159 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.339 3.874 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.327 3.545 -7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.844 5.229 -6.975 1.00 0.00 H new ATOM 737 N LYS A 50 2.937 0.895 -5.981 1.00 0.00 N ATOM 738 CA LYS A 50 3.416 -0.509 -5.772 1.00 0.00 C ATOM 739 C LYS A 50 4.900 -0.510 -5.398 1.00 0.00 C ATOM 740 O LYS A 50 5.551 0.518 -5.410 1.00 0.00 O ATOM 741 CB LYS A 50 3.201 -1.227 -7.107 1.00 0.00 C ATOM 742 CG LYS A 50 1.722 -1.175 -7.492 1.00 0.00 C ATOM 743 CD LYS A 50 1.356 -2.446 -8.261 1.00 0.00 C ATOM 744 CE LYS A 50 1.000 -3.562 -7.274 1.00 0.00 C ATOM 745 NZ LYS A 50 1.653 -4.783 -7.823 1.00 0.00 N ATOM 0 H LYS A 50 2.548 1.089 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 50 2.878 -1.002 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.805 -0.758 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.530 -2.263 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.104 -1.086 -6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.524 -0.295 -8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.513 -2.251 -8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.191 -2.756 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.366 -3.335 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.080 -3.692 -7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.455 -5.592 -7.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.280 -4.978 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.681 -4.632 -7.878 1.00 0.00 H new ATOM 759 N LEU A 51 5.432 -1.655 -5.062 1.00 0.00 N ATOM 760 CA LEU A 51 6.873 -1.730 -4.680 1.00 0.00 C ATOM 761 C LEU A 51 7.740 -1.955 -5.922 1.00 0.00 C ATOM 762 O LEU A 51 8.889 -1.559 -5.965 1.00 0.00 O ATOM 763 CB LEU A 51 6.966 -2.921 -3.727 1.00 0.00 C ATOM 764 CG LEU A 51 8.279 -2.847 -2.947 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.069 -3.409 -1.540 1.00 0.00 C ATOM 766 CD2 LEU A 51 9.348 -3.671 -3.670 1.00 0.00 C ATOM 0 H LEU A 51 4.930 -2.543 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 51 7.228 -0.811 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.121 -2.917 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.916 -3.854 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 51 8.603 -1.809 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.005 -3.356 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.307 -2.824 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.745 -4.448 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.285 -3.619 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.023 -4.709 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.498 -3.272 -4.673 1.00 0.00 H new ATOM 778 N GLU A 52 7.195 -2.590 -6.930 1.00 0.00 N ATOM 779 CA GLU A 52 7.977 -2.847 -8.178 1.00 0.00 C ATOM 780 C GLU A 52 8.504 -1.530 -8.765 1.00 0.00 C ATOM 781 O GLU A 52 7.826 -0.519 -8.746 1.00 0.00 O ATOM 782 CB GLU A 52 6.992 -3.514 -9.146 1.00 0.00 C ATOM 783 CG GLU A 52 5.796 -2.586 -9.404 1.00 0.00 C ATOM 784 CD GLU A 52 6.023 -1.811 -10.704 1.00 0.00 C ATOM 785 OE1 GLU A 52 6.506 -2.409 -11.651 1.00 0.00 O ATOM 786 OE2 GLU A 52 5.709 -0.632 -10.729 1.00 0.00 O ATOM 0 H GLU A 52 6.238 -2.943 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 52 8.847 -3.476 -7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.493 -3.744 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.645 -4.460 -8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.877 -3.169 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.673 -1.893 -8.572 1.00 0.00 H new ATOM 793 N ASP A 53 9.708 -1.536 -9.282 1.00 0.00 N ATOM 794 CA ASP A 53 10.288 -0.289 -9.868 1.00 0.00 C ATOM 795 C ASP A 53 9.371 0.274 -10.960 1.00 0.00 C ATOM 796 O ASP A 53 9.566 1.416 -11.339 1.00 0.00 O ATOM 797 CB ASP A 53 11.633 -0.711 -10.468 1.00 0.00 C ATOM 798 CG ASP A 53 12.752 -0.438 -9.461 1.00 0.00 C ATOM 799 OD1 ASP A 53 12.665 0.560 -8.765 1.00 0.00 O ATOM 800 OD2 ASP A 53 13.676 -1.231 -9.404 1.00 0.00 O ATOM 801 OXT ASP A 53 8.490 -0.448 -11.397 1.00 0.00 O ATOM 0 H ASP A 53 10.316 -2.354 -9.323 1.00 0.00 H new ATOM 0 HA ASP A 53 10.402 0.493 -9.118 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.612 -1.770 -10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.819 -0.162 -11.391 1.00 0.00 H new TER 806 ASP A 53