USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 638 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 51 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.029) USER MOD Single : A 59 LYS NZ :NH3+ 149:sc= 0.169 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 156:sc= 0.244 (180deg=0.075) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 90 TYR OH : rot 180:sc= 0.012 USER MOD Single : A 91 LYS NZ :NH3+ 142:sc= -0.229 (180deg=-0.325) USER MOD Single : A 99 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.9) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.037 X(o=-0.037,f=-0.072) USER MOD Single : A 107 SER OG : rot -116:sc= -0.564 USER MOD Single : A 109 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0577) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0825) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot -30:sc= -0.114 USER MOD Single : A 138 LYS NZ :NH3+ -148:sc= -0.0444 (180deg=-0.852) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -4.893 -6.797 -7.999 1.00 0.00 N ATOM 92 CA ASN A 51 -4.866 -8.262 -8.012 1.00 0.00 C ATOM 93 C ASN A 51 -3.609 -8.795 -7.317 1.00 0.00 C ATOM 94 O ASN A 51 -2.852 -8.030 -6.719 1.00 0.00 O ATOM 95 CB ASN A 51 -4.927 -8.778 -9.456 1.00 0.00 C ATOM 96 CG ASN A 51 -5.864 -9.962 -9.612 1.00 0.00 C ATOM 97 OD1 ASN A 51 -7.076 -9.831 -9.445 1.00 0.00 O ATOM 98 ND2 ASN A 51 -5.307 -11.128 -9.928 1.00 0.00 N ATOM 0 HA ASN A 51 -5.737 -8.623 -7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.253 -7.972 -10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.926 -9.066 -9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.890 -11.958 -10.041 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.297 -11.192 -10.057 1.00 0.00 H new ATOM 105 N PHE A 52 -3.398 -10.110 -7.398 1.00 0.00 N ATOM 106 CA PHE A 52 -2.235 -10.746 -6.774 1.00 0.00 C ATOM 107 C PHE A 52 -0.932 -10.172 -7.329 1.00 0.00 C ATOM 108 O PHE A 52 -0.719 -10.147 -8.543 1.00 0.00 O ATOM 109 CB PHE A 52 -2.269 -12.268 -6.982 1.00 0.00 C ATOM 110 CG PHE A 52 -3.627 -12.888 -6.767 1.00 0.00 C ATOM 111 CD1 PHE A 52 -4.436 -12.481 -5.717 1.00 0.00 C ATOM 112 CD2 PHE A 52 -4.092 -13.878 -7.620 1.00 0.00 C ATOM 113 CE1 PHE A 52 -5.682 -13.048 -5.523 1.00 0.00 C ATOM 114 CE2 PHE A 52 -5.336 -14.448 -7.428 1.00 0.00 C ATOM 115 CZ PHE A 52 -6.132 -14.033 -6.380 1.00 0.00 C ATOM 0 H PHE A 52 -4.017 -10.755 -7.889 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.277 -10.537 -5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.935 -12.493 -7.995 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.557 -12.733 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.089 -11.712 -5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.475 -14.207 -8.443 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.303 -12.721 -4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.686 -15.219 -8.099 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.105 -14.478 -6.230 1.00 0.00 H new ATOM 125 N GLY A 53 -0.065 -9.710 -6.425 1.00 0.00 N ATOM 126 CA GLY A 53 1.208 -9.140 -6.830 1.00 0.00 C ATOM 127 C GLY A 53 1.056 -7.784 -7.499 1.00 0.00 C ATOM 128 O GLY A 53 1.627 -7.546 -8.564 1.00 0.00 O ATOM 0 H GLY A 53 -0.225 -9.722 -5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.851 -9.039 -5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.707 -9.825 -7.516 1.00 0.00 H new ATOM 132 N ASP A 54 0.288 -6.894 -6.870 1.00 0.00 N ATOM 133 CA ASP A 54 0.061 -5.554 -7.403 1.00 0.00 C ATOM 134 C ASP A 54 0.225 -4.496 -6.313 1.00 0.00 C ATOM 135 O ASP A 54 -0.284 -4.656 -5.200 1.00 0.00 O ATOM 136 CB ASP A 54 -1.340 -5.453 -8.012 1.00 0.00 C ATOM 137 CG ASP A 54 -1.424 -6.082 -9.389 1.00 0.00 C ATOM 138 OD1 ASP A 54 -1.182 -5.371 -10.383 1.00 0.00 O ATOM 139 OD2 ASP A 54 -1.737 -7.288 -9.472 1.00 0.00 O ATOM 0 H ASP A 54 -0.188 -7.080 -5.987 1.00 0.00 H new ATOM 0 HA ASP A 54 0.805 -5.372 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.056 -5.940 -7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.629 -4.404 -8.078 1.00 0.00 H new ATOM 144 N ARG A 55 0.930 -3.415 -6.642 1.00 0.00 N ATOM 145 CA ARG A 55 1.157 -2.320 -5.699 1.00 0.00 C ATOM 146 C ARG A 55 -0.106 -1.480 -5.533 1.00 0.00 C ATOM 147 O ARG A 55 -0.588 -0.877 -6.494 1.00 0.00 O ATOM 148 CB ARG A 55 2.312 -1.429 -6.170 1.00 0.00 C ATOM 149 CG ARG A 55 3.634 -1.729 -5.481 1.00 0.00 C ATOM 150 CD ARG A 55 4.524 -2.611 -6.344 1.00 0.00 C ATOM 151 NE ARG A 55 5.730 -1.911 -6.785 1.00 0.00 N ATOM 152 CZ ARG A 55 6.462 -2.278 -7.841 1.00 0.00 C ATOM 153 NH1 ARG A 55 6.132 -3.356 -8.550 1.00 0.00 N ATOM 154 NH2 ARG A 55 7.532 -1.573 -8.182 1.00 0.00 N ATOM 0 H ARG A 55 1.356 -3.273 -7.558 1.00 0.00 H new ATOM 0 HA ARG A 55 1.419 -2.758 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.437 -1.550 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.049 -0.386 -5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.150 -0.795 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.445 -2.223 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.807 -3.501 -5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.963 -2.950 -7.215 1.00 0.00 H new ATOM 0 HE ARG A 55 6.031 -1.093 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.315 -3.908 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.696 -3.629 -9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.796 -0.751 -7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.091 -1.852 -8.988 1.00 0.00 H new ATOM 168 N ILE A 56 -0.637 -1.442 -4.311 1.00 0.00 N ATOM 169 CA ILE A 56 -1.845 -0.670 -4.025 1.00 0.00 C ATOM 170 C ILE A 56 -1.712 0.092 -2.707 1.00 0.00 C ATOM 171 O ILE A 56 -1.084 -0.385 -1.762 1.00 0.00 O ATOM 172 CB ILE A 56 -3.104 -1.566 -3.980 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.953 -2.660 -2.917 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.371 -2.182 -5.349 1.00 0.00 C ATOM 175 CD1 ILE A 56 -4.175 -3.544 -2.781 1.00 0.00 C ATOM 0 H ILE A 56 -0.251 -1.935 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.961 0.044 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.957 -0.944 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.092 -3.280 -3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.743 -2.194 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.261 -2.809 -5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.527 -1.389 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.516 -2.788 -5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.997 -4.295 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.035 -2.935 -2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.374 -4.039 -3.732 1.00 0.00 H new ATOM 187 N LEU A 57 -2.309 1.281 -2.652 1.00 0.00 N ATOM 188 CA LEU A 57 -2.257 2.112 -1.450 1.00 0.00 C ATOM 189 C LEU A 57 -3.473 1.857 -0.564 1.00 0.00 C ATOM 190 O LEU A 57 -4.612 1.952 -1.018 1.00 0.00 O ATOM 191 CB LEU A 57 -2.190 3.594 -1.830 1.00 0.00 C ATOM 192 CG LEU A 57 -1.299 4.457 -0.932 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.166 4.091 -1.121 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.523 5.934 -1.222 1.00 0.00 C ATOM 0 H LEU A 57 -2.834 1.691 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.359 1.847 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.831 3.674 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.200 4.003 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.568 4.265 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.783 4.715 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.315 3.042 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.450 4.253 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.882 6.533 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.281 6.141 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.566 6.187 -1.034 1.00 0.00 H new ATOM 206 N VAL A 58 -3.223 1.527 0.699 1.00 0.00 N ATOM 207 CA VAL A 58 -4.296 1.251 1.649 1.00 0.00 C ATOM 208 C VAL A 58 -4.207 2.171 2.869 1.00 0.00 C ATOM 209 O VAL A 58 -3.120 2.418 3.395 1.00 0.00 O ATOM 210 CB VAL A 58 -4.267 -0.224 2.108 1.00 0.00 C ATOM 211 CG1 VAL A 58 -2.977 -0.540 2.850 1.00 0.00 C ATOM 212 CG2 VAL A 58 -5.480 -0.548 2.966 1.00 0.00 C ATOM 0 H VAL A 58 -2.284 1.444 1.090 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.238 1.442 1.135 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.304 -0.853 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.983 -1.584 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.126 -0.363 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.896 0.100 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.437 -1.592 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.484 0.093 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.389 -0.378 2.389 1.00 0.00 H new ATOM 222 N LYS A 59 -5.358 2.677 3.311 1.00 0.00 N ATOM 223 CA LYS A 59 -5.411 3.568 4.465 1.00 0.00 C ATOM 224 C LYS A 59 -5.791 2.803 5.732 1.00 0.00 C ATOM 225 O LYS A 59 -6.690 1.959 5.713 1.00 0.00 O ATOM 226 CB LYS A 59 -6.409 4.701 4.218 1.00 0.00 C ATOM 227 CG LYS A 59 -6.055 5.992 4.939 1.00 0.00 C ATOM 228 CD LYS A 59 -7.281 6.642 5.562 1.00 0.00 C ATOM 229 CE LYS A 59 -7.824 7.765 4.688 1.00 0.00 C ATOM 230 NZ LYS A 59 -8.950 7.309 3.824 1.00 0.00 N ATOM 0 H LYS A 59 -6.265 2.484 2.886 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.418 3.994 4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.466 4.897 3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.400 4.377 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.318 5.785 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.592 6.686 4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.056 5.890 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.025 7.037 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.163 8.585 5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.022 8.156 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.606 8.100 3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.576 6.979 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.455 6.530 4.294 1.00 0.00 H new ATOM 244 N ALA A 60 -5.102 3.109 6.832 1.00 0.00 N ATOM 245 CA ALA A 60 -5.359 2.460 8.116 1.00 0.00 C ATOM 246 C ALA A 60 -6.083 3.404 9.079 1.00 0.00 C ATOM 247 O ALA A 60 -6.140 4.612 8.848 1.00 0.00 O ATOM 248 CB ALA A 60 -4.052 1.978 8.730 1.00 0.00 C ATOM 0 H ALA A 60 -4.358 3.806 6.858 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.007 1.601 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.255 1.496 9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.576 1.264 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.388 2.828 8.886 1.00 0.00 H new ATOM 254 N PRO A 61 -6.647 2.865 10.178 1.00 0.00 N ATOM 255 CA PRO A 61 -7.364 3.671 11.173 1.00 0.00 C ATOM 256 C PRO A 61 -6.418 4.522 12.017 1.00 0.00 C ATOM 257 O PRO A 61 -5.572 3.994 12.743 1.00 0.00 O ATOM 258 CB PRO A 61 -8.063 2.622 12.042 1.00 0.00 C ATOM 259 CG PRO A 61 -7.216 1.405 11.923 1.00 0.00 C ATOM 260 CD PRO A 61 -6.627 1.433 10.537 1.00 0.00 C ATOM 0 HA PRO A 61 -8.048 4.382 10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.137 2.952 13.078 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.078 2.433 11.694 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.431 1.402 12.679 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.808 0.503 12.076 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.614 1.031 10.524 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.215 0.837 9.840 1.00 0.00 H new ATOM 268 N GLY A 62 -6.565 5.843 11.914 1.00 0.00 N ATOM 269 CA GLY A 62 -5.716 6.748 12.671 1.00 0.00 C ATOM 270 C GLY A 62 -4.512 7.239 11.882 1.00 0.00 C ATOM 271 O GLY A 62 -3.970 8.305 12.179 1.00 0.00 O ATOM 0 H GLY A 62 -7.256 6.301 11.320 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.306 7.606 12.993 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.370 6.243 13.573 1.00 0.00 H new ATOM 275 N TYR A 63 -4.087 6.463 10.883 1.00 0.00 N ATOM 276 CA TYR A 63 -2.936 6.828 10.062 1.00 0.00 C ATOM 277 C TYR A 63 -3.339 7.005 8.597 1.00 0.00 C ATOM 278 O TYR A 63 -4.334 6.435 8.146 1.00 0.00 O ATOM 279 CB TYR A 63 -1.845 5.758 10.184 1.00 0.00 C ATOM 280 CG TYR A 63 -1.424 5.471 11.612 1.00 0.00 C ATOM 281 CD1 TYR A 63 -2.116 4.548 12.390 1.00 0.00 C ATOM 282 CD2 TYR A 63 -0.338 6.123 12.181 1.00 0.00 C ATOM 283 CE1 TYR A 63 -1.738 4.285 13.692 1.00 0.00 C ATOM 284 CE2 TYR A 63 0.048 5.864 13.484 1.00 0.00 C ATOM 285 CZ TYR A 63 -0.654 4.945 14.234 1.00 0.00 C ATOM 286 OH TYR A 63 -0.274 4.687 15.533 1.00 0.00 O ATOM 0 H TYR A 63 -4.524 5.578 10.625 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.547 7.780 10.423 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.203 4.835 9.728 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.972 6.077 9.615 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.964 4.028 11.968 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.214 6.844 11.597 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.288 3.567 14.283 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.895 6.379 13.912 1.00 0.00 H new ATOM 0 HH TYR A 63 0.507 5.233 15.760 1.00 0.00 H new ATOM 296 N PRO A 64 -2.568 7.802 7.831 1.00 0.00 N ATOM 297 CA PRO A 64 -2.851 8.051 6.408 1.00 0.00 C ATOM 298 C PRO A 64 -2.648 6.805 5.541 1.00 0.00 C ATOM 299 O PRO A 64 -2.490 5.695 6.056 1.00 0.00 O ATOM 300 CB PRO A 64 -1.847 9.146 6.032 1.00 0.00 C ATOM 301 CG PRO A 64 -0.733 8.996 7.008 1.00 0.00 C ATOM 302 CD PRO A 64 -1.365 8.522 8.287 1.00 0.00 C ATOM 0 HA PRO A 64 -3.890 8.335 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.494 9.024 5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.299 10.136 6.097 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.006 8.280 6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.214 9.943 7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.695 7.870 8.848 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.620 9.355 8.941 1.00 0.00 H new ATOM 310 N TRP A 65 -2.656 6.994 4.221 1.00 0.00 N ATOM 311 CA TRP A 65 -2.473 5.886 3.285 1.00 0.00 C ATOM 312 C TRP A 65 -1.035 5.367 3.327 1.00 0.00 C ATOM 313 O TRP A 65 -0.088 6.147 3.447 1.00 0.00 O ATOM 314 CB TRP A 65 -2.823 6.321 1.857 1.00 0.00 C ATOM 315 CG TRP A 65 -4.250 6.755 1.687 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.800 7.941 2.085 1.00 0.00 C ATOM 317 CD2 TRP A 65 -5.308 6.012 1.069 1.00 0.00 C ATOM 318 NE1 TRP A 65 -6.132 7.978 1.757 1.00 0.00 N ATOM 319 CE2 TRP A 65 -6.469 6.806 1.132 1.00 0.00 C ATOM 320 CE3 TRP A 65 -5.387 4.752 0.470 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.692 6.381 0.617 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.600 4.331 -0.040 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.739 5.143 0.036 1.00 0.00 C ATOM 0 H TRP A 65 -2.787 7.903 3.777 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.145 5.082 3.587 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -2.167 7.141 1.566 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.621 5.494 1.176 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.264 8.734 2.585 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.768 8.752 1.948 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.515 4.118 0.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.571 7.006 0.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.671 3.359 -0.505 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.673 4.785 -0.372 1.00 0.00 H new ATOM 334 N TRP A 66 -0.879 4.047 3.230 1.00 0.00 N ATOM 335 CA TRP A 66 0.441 3.423 3.260 1.00 0.00 C ATOM 336 C TRP A 66 0.643 2.509 2.050 1.00 0.00 C ATOM 337 O TRP A 66 -0.294 1.840 1.606 1.00 0.00 O ATOM 338 CB TRP A 66 0.619 2.625 4.554 1.00 0.00 C ATOM 339 CG TRP A 66 2.022 2.657 5.080 1.00 0.00 C ATOM 340 CD1 TRP A 66 2.880 1.603 5.192 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.731 3.806 5.562 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.080 2.022 5.710 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.014 3.370 5.948 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.409 5.157 5.705 1.00 0.00 C ATOM 345 CZ2 TRP A 66 4.970 4.237 6.464 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.361 6.019 6.217 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.629 5.555 6.590 1.00 0.00 C ATOM 0 H TRP A 66 -1.652 3.389 3.130 1.00 0.00 H new ATOM 0 HA TRP A 66 1.190 4.214 3.221 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.056 3.021 5.313 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.328 1.590 4.378 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.649 0.586 4.913 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.889 1.427 5.889 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.433 5.522 5.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 5.948 3.882 6.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.123 7.066 6.331 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.352 6.253 6.985 1.00 0.00 H new ATOM 358 N PRO A 67 1.874 2.469 1.499 1.00 0.00 N ATOM 359 CA PRO A 67 2.197 1.633 0.334 1.00 0.00 C ATOM 360 C PRO A 67 2.183 0.141 0.659 1.00 0.00 C ATOM 361 O PRO A 67 3.126 -0.386 1.254 1.00 0.00 O ATOM 362 CB PRO A 67 3.607 2.089 -0.052 1.00 0.00 C ATOM 363 CG PRO A 67 4.190 2.617 1.212 1.00 0.00 C ATOM 364 CD PRO A 67 3.046 3.237 1.963 1.00 0.00 C ATOM 0 HA PRO A 67 1.464 1.750 -0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.197 1.262 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.578 2.856 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.652 1.819 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.967 3.353 1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.180 3.152 3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.946 4.299 1.737 1.00 0.00 H new ATOM 372 N ALA A 68 1.110 -0.535 0.254 1.00 0.00 N ATOM 373 CA ALA A 68 0.963 -1.970 0.483 1.00 0.00 C ATOM 374 C ALA A 68 0.909 -2.723 -0.846 1.00 0.00 C ATOM 375 O ALA A 68 0.915 -2.114 -1.917 1.00 0.00 O ATOM 376 CB ALA A 68 -0.287 -2.245 1.310 1.00 0.00 C ATOM 0 H ALA A 68 0.325 -0.108 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 68 1.831 -2.326 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.386 -3.318 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.207 -1.737 2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.164 -1.877 0.777 1.00 0.00 H new ATOM 382 N LEU A 69 0.859 -4.047 -0.773 1.00 0.00 N ATOM 383 CA LEU A 69 0.801 -4.876 -1.977 1.00 0.00 C ATOM 384 C LEU A 69 -0.267 -5.957 -1.848 1.00 0.00 C ATOM 385 O LEU A 69 -0.236 -6.763 -0.918 1.00 0.00 O ATOM 386 CB LEU A 69 2.163 -5.518 -2.252 1.00 0.00 C ATOM 387 CG LEU A 69 2.951 -4.889 -3.406 1.00 0.00 C ATOM 388 CD1 LEU A 69 3.975 -3.896 -2.878 1.00 0.00 C ATOM 389 CD2 LEU A 69 3.626 -5.966 -4.242 1.00 0.00 C ATOM 0 H LEU A 69 0.857 -4.571 0.102 1.00 0.00 H new ATOM 0 HA LEU A 69 0.537 -4.230 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.766 -5.460 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.013 -6.576 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 69 2.252 -4.349 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.524 -3.461 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.465 -3.106 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.671 -4.409 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.181 -5.500 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.312 -6.536 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.870 -6.634 -4.654 1.00 0.00 H new ATOM 401 N LEU A 70 -1.213 -5.969 -2.789 1.00 0.00 N ATOM 402 CA LEU A 70 -2.295 -6.956 -2.779 1.00 0.00 C ATOM 403 C LEU A 70 -1.746 -8.375 -2.917 1.00 0.00 C ATOM 404 O LEU A 70 -1.003 -8.673 -3.853 1.00 0.00 O ATOM 405 CB LEU A 70 -3.285 -6.670 -3.910 1.00 0.00 C ATOM 406 CG LEU A 70 -4.742 -7.017 -3.600 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.677 -5.978 -4.200 1.00 0.00 C ATOM 408 CD2 LEU A 70 -5.082 -8.408 -4.120 1.00 0.00 C ATOM 0 H LEU A 70 -1.252 -5.309 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.811 -6.878 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.226 -5.612 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.975 -7.228 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.874 -7.013 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.709 -6.241 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.450 -4.998 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.543 -5.949 -5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.122 -8.638 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.933 -8.439 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.434 -9.143 -3.643 1.00 0.00 H new ATOM 420 N LEU A 71 -2.116 -9.240 -1.976 1.00 0.00 N ATOM 421 CA LEU A 71 -1.663 -10.626 -1.980 1.00 0.00 C ATOM 422 C LEU A 71 -2.788 -11.572 -2.406 1.00 0.00 C ATOM 423 O LEU A 71 -2.623 -12.355 -3.345 1.00 0.00 O ATOM 424 CB LEU A 71 -1.136 -11.007 -0.588 1.00 0.00 C ATOM 425 CG LEU A 71 -1.226 -12.492 -0.223 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.392 -13.334 -1.178 1.00 0.00 C ATOM 427 CD2 LEU A 71 -0.779 -12.713 1.215 1.00 0.00 C ATOM 0 H LEU A 71 -2.731 -9.003 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.855 -10.723 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.093 -10.698 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.688 -10.435 0.158 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.266 -12.805 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.471 -14.385 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.758 -13.200 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.651 -13.021 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.849 -13.773 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.253 -12.381 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.421 -12.143 1.887 1.00 0.00 H new ATOM 439 N ARG A 72 -3.926 -11.502 -1.711 1.00 0.00 N ATOM 440 CA ARG A 72 -5.070 -12.359 -2.021 1.00 0.00 C ATOM 441 C ARG A 72 -6.392 -11.675 -1.672 1.00 0.00 C ATOM 442 O ARG A 72 -6.437 -10.785 -0.820 1.00 0.00 O ATOM 443 CB ARG A 72 -4.957 -13.688 -1.267 1.00 0.00 C ATOM 444 CG ARG A 72 -4.570 -14.861 -2.154 1.00 0.00 C ATOM 445 CD ARG A 72 -5.785 -15.479 -2.829 1.00 0.00 C ATOM 446 NE ARG A 72 -5.425 -16.617 -3.675 1.00 0.00 N ATOM 447 CZ ARG A 72 -5.181 -17.848 -3.212 1.00 0.00 C ATOM 448 NH1 ARG A 72 -5.249 -18.105 -1.907 1.00 0.00 N ATOM 449 NH2 ARG A 72 -4.868 -18.824 -4.057 1.00 0.00 N ATOM 0 H ARG A 72 -4.078 -10.862 -0.932 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.060 -12.550 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.217 -13.584 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.911 -13.906 -0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.863 -14.526 -2.913 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.061 -15.617 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.496 -15.803 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.287 -14.723 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.356 -16.462 -4.681 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.489 -17.360 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.062 -19.046 -1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.814 -18.634 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.682 -19.763 -3.705 1.00 0.00 H new ATOM 463 N ARG A 73 -7.466 -12.105 -2.334 1.00 0.00 N ATOM 464 CA ARG A 73 -8.795 -11.547 -2.098 1.00 0.00 C ATOM 465 C ARG A 73 -9.699 -12.578 -1.424 1.00 0.00 C ATOM 466 O ARG A 73 -10.320 -13.406 -2.094 1.00 0.00 O ATOM 467 CB ARG A 73 -9.421 -11.084 -3.419 1.00 0.00 C ATOM 468 CG ARG A 73 -10.628 -10.173 -3.240 1.00 0.00 C ATOM 469 CD ARG A 73 -11.077 -9.572 -4.564 1.00 0.00 C ATOM 470 NE ARG A 73 -12.498 -9.805 -4.822 1.00 0.00 N ATOM 471 CZ ARG A 73 -13.216 -9.118 -5.716 1.00 0.00 C ATOM 472 NH1 ARG A 73 -12.652 -8.156 -6.442 1.00 0.00 N ATOM 473 NH2 ARG A 73 -14.503 -9.396 -5.885 1.00 0.00 N ATOM 0 H ARG A 73 -7.440 -12.841 -3.040 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.693 -10.688 -1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.666 -10.560 -4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.720 -11.959 -3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.449 -10.738 -2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.381 -9.373 -2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.881 -8.500 -4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.487 -10.000 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.969 -10.535 -4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.663 -7.937 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.208 -7.637 -7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.942 -10.133 -5.333 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.053 -8.873 -6.567 1.00 0.00 H new ATOM 487 N LYS A 74 -9.765 -12.526 -0.095 1.00 0.00 N ATOM 488 CA LYS A 74 -10.592 -13.458 0.668 1.00 0.00 C ATOM 489 C LYS A 74 -11.996 -12.894 0.880 1.00 0.00 C ATOM 490 O LYS A 74 -12.165 -11.826 1.474 1.00 0.00 O ATOM 491 CB LYS A 74 -9.947 -13.785 2.021 1.00 0.00 C ATOM 492 CG LYS A 74 -9.347 -12.579 2.731 1.00 0.00 C ATOM 493 CD LYS A 74 -9.223 -12.817 4.228 1.00 0.00 C ATOM 494 CE LYS A 74 -8.962 -11.520 4.978 1.00 0.00 C ATOM 495 NZ LYS A 74 -8.838 -11.741 6.445 1.00 0.00 N ATOM 0 H LYS A 74 -9.257 -11.850 0.475 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.670 -14.379 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.697 -14.239 2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.165 -14.529 1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.364 -12.362 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.970 -11.703 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.138 -13.277 4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.412 -13.519 4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.048 -11.061 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.774 -10.819 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.281 -10.971 6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.785 -11.758 6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.362 -12.649 6.620 1.00 0.00 H new ATOM 509 N GLU A 75 -12.999 -13.620 0.388 1.00 0.00 N ATOM 510 CA GLU A 75 -14.389 -13.200 0.516 1.00 0.00 C ATOM 511 C GLU A 75 -15.102 -13.989 1.611 1.00 0.00 C ATOM 512 O GLU A 75 -15.437 -15.162 1.426 1.00 0.00 O ATOM 513 CB GLU A 75 -15.126 -13.376 -0.812 1.00 0.00 C ATOM 514 CG GLU A 75 -16.235 -12.360 -1.028 1.00 0.00 C ATOM 515 CD GLU A 75 -17.539 -13.002 -1.464 1.00 0.00 C ATOM 516 OE1 GLU A 75 -18.183 -13.667 -0.625 1.00 0.00 O ATOM 517 OE2 GLU A 75 -17.916 -12.837 -2.642 1.00 0.00 O ATOM 0 H GLU A 75 -12.872 -14.504 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.394 -12.145 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.409 -13.299 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.550 -14.379 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.399 -11.805 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.920 -11.639 -1.782 1.00 0.00 H new ATOM 524 N THR A 76 -15.339 -13.336 2.747 1.00 0.00 N ATOM 525 CA THR A 76 -16.022 -13.972 3.874 1.00 0.00 C ATOM 526 C THR A 76 -17.409 -13.357 4.075 1.00 0.00 C ATOM 527 O THR A 76 -17.570 -12.140 4.003 1.00 0.00 O ATOM 528 CB THR A 76 -15.178 -13.840 5.149 1.00 0.00 C ATOM 529 OG1 THR A 76 -15.786 -14.526 6.229 1.00 0.00 O ATOM 530 CG2 THR A 76 -14.949 -12.408 5.589 1.00 0.00 C ATOM 0 H THR A 76 -15.068 -12.367 2.912 1.00 0.00 H new ATOM 0 HA THR A 76 -16.149 -15.032 3.654 1.00 0.00 H new ATOM 0 HB THR A 76 -14.213 -14.276 4.890 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.231 -14.431 7.031 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.345 -12.398 6.496 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.429 -11.864 4.801 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.909 -11.930 5.787 1.00 0.00 H new ATOM 666 N PHE A 86 -22.371 -9.465 2.994 1.00 0.00 N ATOM 667 CA PHE A 86 -21.069 -10.020 2.639 1.00 0.00 C ATOM 668 C PHE A 86 -19.941 -9.195 3.257 1.00 0.00 C ATOM 669 O PHE A 86 -20.114 -8.012 3.551 1.00 0.00 O ATOM 670 CB PHE A 86 -20.906 -10.062 1.117 1.00 0.00 C ATOM 671 CG PHE A 86 -21.704 -11.151 0.446 1.00 0.00 C ATOM 672 CD1 PHE A 86 -23.086 -11.200 0.565 1.00 0.00 C ATOM 673 CD2 PHE A 86 -21.067 -12.121 -0.310 1.00 0.00 C ATOM 674 CE1 PHE A 86 -23.814 -12.198 -0.055 1.00 0.00 C ATOM 675 CE2 PHE A 86 -21.790 -13.121 -0.932 1.00 0.00 C ATOM 676 CZ PHE A 86 -23.165 -13.160 -0.807 1.00 0.00 C ATOM 0 HA PHE A 86 -21.015 -11.035 3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.205 -9.099 0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.851 -10.199 0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -23.598 -10.450 1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -19.992 -12.096 -0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -24.889 -12.226 0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -21.280 -13.872 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 86 -23.731 -13.939 -1.295 1.00 0.00 H new ATOM 686 N ASN A 87 -18.781 -9.826 3.444 1.00 0.00 N ATOM 687 CA ASN A 87 -17.624 -9.149 4.019 1.00 0.00 C ATOM 688 C ASN A 87 -16.354 -9.510 3.252 1.00 0.00 C ATOM 689 O ASN A 87 -15.589 -10.382 3.669 1.00 0.00 O ATOM 690 CB ASN A 87 -17.467 -9.524 5.499 1.00 0.00 C ATOM 691 CG ASN A 87 -18.160 -8.544 6.427 1.00 0.00 C ATOM 692 OD1 ASN A 87 -17.796 -7.370 6.492 1.00 0.00 O ATOM 693 ND2 ASN A 87 -19.165 -9.021 7.156 1.00 0.00 N ATOM 0 H ASN A 87 -18.620 -10.804 3.205 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.784 -8.074 3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -17.873 -10.522 5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.407 -9.567 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -19.665 -8.407 7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -19.436 -10.001 7.072 1.00 0.00 H new ATOM 700 N VAL A 88 -16.131 -8.833 2.132 1.00 0.00 N ATOM 701 CA VAL A 88 -14.950 -9.084 1.315 1.00 0.00 C ATOM 702 C VAL A 88 -13.875 -8.034 1.568 1.00 0.00 C ATOM 703 O VAL A 88 -14.168 -6.843 1.694 1.00 0.00 O ATOM 704 CB VAL A 88 -15.286 -9.126 -0.191 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.868 -7.799 -0.663 1.00 0.00 C ATOM 706 CG2 VAL A 88 -14.055 -9.501 -1.009 1.00 0.00 C ATOM 0 H VAL A 88 -16.750 -8.108 1.770 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.571 -10.063 1.608 1.00 0.00 H new ATOM 0 HB VAL A 88 -16.044 -9.894 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.095 -7.859 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.782 -7.585 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.144 -7.002 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.315 -9.525 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -13.270 -8.763 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.699 -10.484 -0.701 1.00 0.00 H new ATOM 716 N LEU A 89 -12.629 -8.487 1.642 1.00 0.00 N ATOM 717 CA LEU A 89 -11.496 -7.595 1.879 1.00 0.00 C ATOM 718 C LEU A 89 -10.335 -7.914 0.940 1.00 0.00 C ATOM 719 O LEU A 89 -10.396 -8.857 0.150 1.00 0.00 O ATOM 720 CB LEU A 89 -11.014 -7.697 3.331 1.00 0.00 C ATOM 721 CG LEU A 89 -12.109 -7.664 4.402 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.505 -7.883 5.782 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.865 -6.342 4.349 1.00 0.00 C ATOM 0 H LEU A 89 -12.375 -9.470 1.541 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.839 -6.579 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.451 -8.624 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.321 -6.878 3.522 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.815 -8.470 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.295 -7.857 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.008 -8.852 5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.780 -7.097 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.639 -6.335 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.172 -5.519 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.325 -6.225 3.368 1.00 0.00 H new ATOM 735 N TYR A 90 -9.274 -7.117 1.043 1.00 0.00 N ATOM 736 CA TYR A 90 -8.088 -7.299 0.219 1.00 0.00 C ATOM 737 C TYR A 90 -6.851 -7.501 1.089 1.00 0.00 C ATOM 738 O TYR A 90 -6.360 -6.558 1.712 1.00 0.00 O ATOM 739 CB TYR A 90 -7.890 -6.088 -0.694 1.00 0.00 C ATOM 740 CG TYR A 90 -8.333 -6.325 -2.118 1.00 0.00 C ATOM 741 CD1 TYR A 90 -8.108 -7.546 -2.737 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.975 -5.330 -2.844 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.510 -7.772 -4.035 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.381 -5.547 -4.145 1.00 0.00 C ATOM 745 CZ TYR A 90 -9.145 -6.770 -4.738 1.00 0.00 C ATOM 746 OH TYR A 90 -9.545 -6.995 -6.034 1.00 0.00 O ATOM 0 H TYR A 90 -9.215 -6.335 1.695 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.230 -8.189 -0.393 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.443 -5.242 -0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.836 -5.810 -0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.609 -8.333 -2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.159 -4.371 -2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.329 -8.730 -4.500 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.881 -4.764 -4.696 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.978 -6.190 -6.387 1.00 0.00 H new ATOM 756 N LYS A 91 -6.344 -8.734 1.120 1.00 0.00 N ATOM 757 CA LYS A 91 -5.154 -9.052 1.906 1.00 0.00 C ATOM 758 C LYS A 91 -3.933 -8.374 1.293 1.00 0.00 C ATOM 759 O LYS A 91 -3.361 -8.870 0.321 1.00 0.00 O ATOM 760 CB LYS A 91 -4.935 -10.569 1.971 1.00 0.00 C ATOM 761 CG LYS A 91 -6.140 -11.347 2.481 1.00 0.00 C ATOM 762 CD LYS A 91 -5.729 -12.441 3.458 1.00 0.00 C ATOM 763 CE LYS A 91 -5.318 -13.717 2.736 1.00 0.00 C ATOM 764 NZ LYS A 91 -6.422 -14.718 2.688 1.00 0.00 N ATOM 0 H LYS A 91 -6.738 -9.526 0.611 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.300 -8.683 2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.676 -10.931 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.082 -10.775 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.834 -10.664 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.670 -11.791 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.901 -12.088 4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.557 -12.656 4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.006 -13.473 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.455 -14.154 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.410 -15.204 1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.293 -15.414 3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.334 -14.235 2.812 1.00 0.00 H new ATOM 778 N VAL A 92 -3.549 -7.229 1.852 1.00 0.00 N ATOM 779 CA VAL A 92 -2.407 -6.477 1.343 1.00 0.00 C ATOM 780 C VAL A 92 -1.206 -6.573 2.276 1.00 0.00 C ATOM 781 O VAL A 92 -1.359 -6.663 3.496 1.00 0.00 O ATOM 782 CB VAL A 92 -2.757 -4.987 1.124 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.950 -4.846 0.190 1.00 0.00 C ATOM 784 CG2 VAL A 92 -3.026 -4.287 2.450 1.00 0.00 C ATOM 0 H VAL A 92 -4.011 -6.803 2.655 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.149 -6.928 0.385 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.898 -4.505 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.179 -3.790 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.713 -5.297 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.813 -5.350 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.270 -3.241 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.863 -4.771 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.139 -4.348 3.080 1.00 0.00 H new ATOM 794 N LEU A 93 -0.011 -6.538 1.691 1.00 0.00 N ATOM 795 CA LEU A 93 1.221 -6.606 2.461 1.00 0.00 C ATOM 796 C LEU A 93 1.795 -5.209 2.651 1.00 0.00 C ATOM 797 O LEU A 93 1.893 -4.432 1.704 1.00 0.00 O ATOM 798 CB LEU A 93 2.245 -7.504 1.757 1.00 0.00 C ATOM 799 CG LEU A 93 2.432 -8.888 2.386 1.00 0.00 C ATOM 800 CD1 LEU A 93 2.471 -9.966 1.311 1.00 0.00 C ATOM 801 CD2 LEU A 93 3.700 -8.926 3.229 1.00 0.00 C ATOM 0 H LEU A 93 0.127 -6.463 0.683 1.00 0.00 H new ATOM 0 HA LEU A 93 0.997 -7.034 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.941 -7.632 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.208 -6.993 1.747 1.00 0.00 H new ATOM 0 HG LEU A 93 1.581 -9.086 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.604 -10.942 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.535 -9.957 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.301 -9.773 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.816 -9.917 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.562 -8.705 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.631 -8.183 4.024 1.00 0.00 H new ATOM 813 N PHE A 94 2.164 -4.900 3.886 1.00 0.00 N ATOM 814 CA PHE A 94 2.725 -3.597 4.226 1.00 0.00 C ATOM 815 C PHE A 94 4.253 -3.641 4.218 1.00 0.00 C ATOM 816 O PHE A 94 4.851 -4.710 4.355 1.00 0.00 O ATOM 817 CB PHE A 94 2.228 -3.167 5.609 1.00 0.00 C ATOM 818 CG PHE A 94 0.989 -2.319 5.585 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.210 -2.830 5.111 1.00 0.00 C ATOM 820 CD2 PHE A 94 1.022 -1.015 6.049 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.352 -2.050 5.097 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.116 -0.233 6.040 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.305 -0.751 5.564 1.00 0.00 C ATOM 0 H PHE A 94 2.084 -5.539 4.677 1.00 0.00 H new ATOM 0 HA PHE A 94 2.398 -2.875 3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.032 -4.058 6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.022 -2.615 6.112 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.252 -3.847 4.749 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.949 -0.605 6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.280 -2.456 4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.077 0.783 6.405 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.196 -0.141 5.557 1.00 0.00 H new ATOM 833 N PHE A 95 4.878 -2.474 4.068 1.00 0.00 N ATOM 834 CA PHE A 95 6.339 -2.379 4.050 1.00 0.00 C ATOM 835 C PHE A 95 6.811 -1.078 4.703 1.00 0.00 C ATOM 836 O PHE A 95 6.120 -0.059 4.638 1.00 0.00 O ATOM 837 CB PHE A 95 6.861 -2.457 2.609 1.00 0.00 C ATOM 838 CG PHE A 95 6.195 -3.521 1.782 1.00 0.00 C ATOM 839 CD1 PHE A 95 6.688 -4.815 1.765 1.00 0.00 C ATOM 840 CD2 PHE A 95 5.068 -3.225 1.033 1.00 0.00 C ATOM 841 CE1 PHE A 95 6.068 -5.796 1.016 1.00 0.00 C ATOM 842 CE2 PHE A 95 4.447 -4.200 0.280 1.00 0.00 C ATOM 843 CZ PHE A 95 4.946 -5.488 0.272 1.00 0.00 C ATOM 0 H PHE A 95 4.397 -1.581 3.957 1.00 0.00 H new ATOM 0 HA PHE A 95 6.738 -3.218 4.621 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.716 -1.490 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.935 -2.645 2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 95 7.567 -5.060 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.671 -2.221 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.460 -6.802 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.571 -3.956 -0.303 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.460 -6.253 -0.315 1.00 0.00 H new ATOM 853 N PRO A 96 8.000 -1.092 5.342 1.00 0.00 N ATOM 854 CA PRO A 96 8.853 -2.287 5.442 1.00 0.00 C ATOM 855 C PRO A 96 8.399 -3.248 6.548 1.00 0.00 C ATOM 856 O PRO A 96 7.268 -3.158 7.030 1.00 0.00 O ATOM 857 CB PRO A 96 10.222 -1.693 5.771 1.00 0.00 C ATOM 858 CG PRO A 96 9.920 -0.455 6.546 1.00 0.00 C ATOM 859 CD PRO A 96 8.607 0.070 6.025 1.00 0.00 C ATOM 0 HA PRO A 96 8.832 -2.888 4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.826 -2.388 6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.784 -1.466 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.855 -0.672 7.612 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.711 0.284 6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.973 0.433 6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.755 0.903 5.338 1.00 0.00 H new ATOM 867 N ASP A 97 9.292 -4.170 6.937 1.00 0.00 N ATOM 868 CA ASP A 97 9.003 -5.163 7.983 1.00 0.00 C ATOM 869 C ASP A 97 8.106 -6.298 7.468 1.00 0.00 C ATOM 870 O ASP A 97 7.765 -7.209 8.225 1.00 0.00 O ATOM 871 CB ASP A 97 8.352 -4.495 9.206 1.00 0.00 C ATOM 872 CG ASP A 97 8.976 -4.921 10.526 1.00 0.00 C ATOM 873 OD1 ASP A 97 9.499 -6.055 10.609 1.00 0.00 O ATOM 874 OD2 ASP A 97 8.938 -4.119 11.482 1.00 0.00 O ATOM 0 H ASP A 97 10.228 -4.249 6.539 1.00 0.00 H new ATOM 0 HA ASP A 97 9.957 -5.599 8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.433 -3.413 9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.289 -4.735 9.220 1.00 0.00 H new ATOM 879 N PHE A 98 7.733 -6.248 6.183 1.00 0.00 N ATOM 880 CA PHE A 98 6.884 -7.277 5.576 1.00 0.00 C ATOM 881 C PHE A 98 5.637 -7.555 6.421 1.00 0.00 C ATOM 882 O PHE A 98 5.402 -8.685 6.855 1.00 0.00 O ATOM 883 CB PHE A 98 7.687 -8.565 5.357 1.00 0.00 C ATOM 884 CG PHE A 98 8.015 -8.818 3.914 1.00 0.00 C ATOM 885 CD1 PHE A 98 9.167 -8.295 3.349 1.00 0.00 C ATOM 886 CD2 PHE A 98 7.167 -9.574 3.121 1.00 0.00 C ATOM 887 CE1 PHE A 98 9.468 -8.525 2.019 1.00 0.00 C ATOM 888 CE2 PHE A 98 7.462 -9.806 1.792 1.00 0.00 C ATOM 889 CZ PHE A 98 8.614 -9.282 1.240 1.00 0.00 C ATOM 0 H PHE A 98 8.008 -5.503 5.543 1.00 0.00 H new ATOM 0 HA PHE A 98 6.545 -6.902 4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.613 -8.510 5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.120 -9.410 5.748 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.837 -7.702 3.954 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.265 -9.987 3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 98 10.370 -8.113 1.590 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.792 -10.397 1.185 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.847 -9.463 0.201 1.00 0.00 H new ATOM 899 N ASN A 99 4.832 -6.515 6.637 1.00 0.00 N ATOM 900 CA ASN A 99 3.600 -6.636 7.416 1.00 0.00 C ATOM 901 C ASN A 99 2.401 -6.825 6.483 1.00 0.00 C ATOM 902 O ASN A 99 2.577 -7.092 5.295 1.00 0.00 O ATOM 903 CB ASN A 99 3.405 -5.393 8.291 1.00 0.00 C ATOM 904 CG ASN A 99 3.086 -5.736 9.735 1.00 0.00 C ATOM 905 OD1 ASN A 99 2.573 -6.816 10.031 1.00 0.00 O ATOM 906 ND2 ASN A 99 3.388 -4.817 10.645 1.00 0.00 N ATOM 0 H ASN A 99 5.012 -5.576 6.282 1.00 0.00 H new ATOM 0 HA ASN A 99 3.677 -7.509 8.064 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.309 -4.785 8.258 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.598 -4.787 7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.196 -4.993 11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.812 -3.935 10.358 1.00 0.00 H new ATOM 913 N PHE A 100 1.181 -6.684 7.013 1.00 0.00 N ATOM 914 CA PHE A 100 -0.029 -6.840 6.196 1.00 0.00 C ATOM 915 C PHE A 100 -1.271 -6.334 6.929 1.00 0.00 C ATOM 916 O PHE A 100 -1.190 -5.889 8.077 1.00 0.00 O ATOM 917 CB PHE A 100 -0.231 -8.308 5.787 1.00 0.00 C ATOM 918 CG PHE A 100 0.462 -9.283 6.688 1.00 0.00 C ATOM 919 CD1 PHE A 100 -0.076 -9.609 7.919 1.00 0.00 C ATOM 920 CD2 PHE A 100 1.659 -9.861 6.305 1.00 0.00 C ATOM 921 CE1 PHE A 100 0.567 -10.496 8.755 1.00 0.00 C ATOM 922 CE2 PHE A 100 2.308 -10.750 7.135 1.00 0.00 C ATOM 923 CZ PHE A 100 1.762 -11.069 8.363 1.00 0.00 C ATOM 0 H PHE A 100 1.005 -6.464 7.993 1.00 0.00 H new ATOM 0 HA PHE A 100 0.111 -6.237 5.299 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.298 -8.530 5.778 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.132 -8.446 4.769 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.010 -9.164 8.229 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.089 -9.613 5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.138 -10.743 9.715 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.242 -11.196 6.826 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.268 -11.765 9.016 1.00 0.00 H new ATOM 933 N ALA A 101 -2.416 -6.404 6.250 1.00 0.00 N ATOM 934 CA ALA A 101 -3.686 -5.953 6.816 1.00 0.00 C ATOM 935 C ALA A 101 -4.870 -6.401 5.955 1.00 0.00 C ATOM 936 O ALA A 101 -4.725 -6.627 4.751 1.00 0.00 O ATOM 937 CB ALA A 101 -3.682 -4.438 6.962 1.00 0.00 C ATOM 0 H ALA A 101 -2.489 -6.771 5.301 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.799 -6.408 7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.632 -4.111 7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.869 -4.138 7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.543 -3.979 5.983 1.00 0.00 H new ATOM 943 N TRP A 102 -6.043 -6.522 6.582 1.00 0.00 N ATOM 944 CA TRP A 102 -7.258 -6.938 5.879 1.00 0.00 C ATOM 945 C TRP A 102 -8.290 -5.810 5.874 1.00 0.00 C ATOM 946 O TRP A 102 -8.896 -5.506 6.905 1.00 0.00 O ATOM 947 CB TRP A 102 -7.867 -8.199 6.520 1.00 0.00 C ATOM 948 CG TRP A 102 -6.929 -8.949 7.422 1.00 0.00 C ATOM 949 CD1 TRP A 102 -5.779 -9.591 7.062 1.00 0.00 C ATOM 950 CD2 TRP A 102 -7.065 -9.132 8.837 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.191 -10.162 8.164 1.00 0.00 N ATOM 952 CE2 TRP A 102 -5.962 -9.896 9.265 1.00 0.00 C ATOM 953 CE3 TRP A 102 -8.011 -8.725 9.783 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -5.783 -10.260 10.599 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -7.831 -9.086 11.103 1.00 0.00 C ATOM 956 CH2 TRP A 102 -6.723 -9.847 11.502 1.00 0.00 C ATOM 0 H TRP A 102 -6.176 -6.337 7.576 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.981 -7.172 4.851 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.750 -7.912 7.091 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.204 -8.868 5.728 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.388 -9.642 6.056 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.322 -10.697 8.163 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.868 -8.138 9.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.931 -10.848 10.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.556 -8.777 11.841 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.610 -10.112 12.543 1.00 0.00 H new ATOM 967 N VAL A 103 -8.481 -5.189 4.708 1.00 0.00 N ATOM 968 CA VAL A 103 -9.433 -4.087 4.562 1.00 0.00 C ATOM 969 C VAL A 103 -10.187 -4.177 3.233 1.00 0.00 C ATOM 970 O VAL A 103 -9.768 -4.890 2.322 1.00 0.00 O ATOM 971 CB VAL A 103 -8.724 -2.717 4.644 1.00 0.00 C ATOM 972 CG1 VAL A 103 -8.071 -2.533 6.006 1.00 0.00 C ATOM 973 CG2 VAL A 103 -7.697 -2.571 3.529 1.00 0.00 C ATOM 0 H VAL A 103 -7.987 -5.432 3.849 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.143 -4.173 5.385 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.474 -1.937 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.577 -1.562 6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.832 -2.584 6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.335 -3.321 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.211 -1.599 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.949 -3.359 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.195 -2.651 2.563 1.00 0.00 H new ATOM 983 N LYS A 104 -11.295 -3.443 3.127 1.00 0.00 N ATOM 984 CA LYS A 104 -12.099 -3.439 1.905 1.00 0.00 C ATOM 985 C LYS A 104 -11.449 -2.571 0.824 1.00 0.00 C ATOM 986 O LYS A 104 -10.597 -1.732 1.118 1.00 0.00 O ATOM 987 CB LYS A 104 -13.515 -2.928 2.200 1.00 0.00 C ATOM 988 CG LYS A 104 -14.503 -3.172 1.070 1.00 0.00 C ATOM 989 CD LYS A 104 -15.922 -3.326 1.591 1.00 0.00 C ATOM 990 CE LYS A 104 -16.201 -4.755 2.031 1.00 0.00 C ATOM 991 NZ LYS A 104 -17.658 -5.014 2.213 1.00 0.00 N ATOM 0 H LYS A 104 -11.655 -2.845 3.871 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.157 -4.464 1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.885 -3.412 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.470 -1.859 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -14.462 -2.342 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.216 -4.070 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -16.078 -2.648 2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -16.630 -3.039 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -15.801 -5.446 1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -15.679 -4.954 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -17.801 -6.000 2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -18.036 -4.373 2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.155 -4.850 1.314 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.867 -2.776 -0.428 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.336 -2.010 -1.560 1.00 0.00 C ATOM 1007 C ARG A 105 -11.570 -0.506 -1.376 1.00 0.00 C ATOM 1008 O ARG A 105 -10.854 0.314 -1.952 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.982 -2.464 -2.875 1.00 0.00 C ATOM 1010 CG ARG A 105 -12.097 -3.973 -3.026 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.549 -4.424 -3.012 1.00 0.00 C ATOM 1012 NE ARG A 105 -14.273 -3.987 -4.208 1.00 0.00 N ATOM 1013 CZ ARG A 105 -15.430 -4.518 -4.613 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -15.999 -5.501 -3.921 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -16.024 -4.061 -5.710 1.00 0.00 N ATOM 0 H ARG A 105 -12.572 -3.467 -0.684 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.263 -2.196 -1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.978 -2.026 -2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.399 -2.070 -3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.627 -4.283 -3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.555 -4.463 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.590 -5.511 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.043 -4.028 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.870 -3.233 -4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.552 -5.854 -3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.882 -5.902 -4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.597 -3.304 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -16.907 -4.467 -6.018 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.578 -0.151 -0.574 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.909 1.252 -0.314 1.00 0.00 C ATOM 1031 C ASN A 106 -11.716 1.998 0.281 1.00 0.00 C ATOM 1032 O ASN A 106 -11.456 3.148 -0.073 1.00 0.00 O ATOM 1033 CB ASN A 106 -14.104 1.355 0.637 1.00 0.00 C ATOM 1034 CG ASN A 106 -15.332 0.630 0.115 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -15.716 0.787 -1.044 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -15.959 -0.170 0.971 1.00 0.00 N ATOM 0 H ASN A 106 -13.180 -0.819 -0.092 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.168 1.712 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.828 0.942 1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.347 2.406 0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.791 -0.681 0.676 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.609 -0.273 1.923 1.00 0.00 H new ATOM 1043 N SER A 107 -10.987 1.334 1.178 1.00 0.00 N ATOM 1044 CA SER A 107 -9.816 1.937 1.809 1.00 0.00 C ATOM 1045 C SER A 107 -8.536 1.613 1.027 1.00 0.00 C ATOM 1046 O SER A 107 -7.428 1.783 1.541 1.00 0.00 O ATOM 1047 CB SER A 107 -9.687 1.453 3.258 1.00 0.00 C ATOM 1048 OG SER A 107 -9.729 0.037 3.333 1.00 0.00 O ATOM 0 H SER A 107 -11.187 0.381 1.482 1.00 0.00 H new ATOM 0 HA SER A 107 -9.950 3.019 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.750 1.814 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.493 1.875 3.858 1.00 0.00 H new ATOM 0 HG SER A 107 -10.522 -0.240 3.837 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.694 1.151 -0.218 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.558 0.806 -1.066 1.00 0.00 C ATOM 1056 C VAL A 108 -7.606 1.581 -2.386 1.00 0.00 C ATOM 1057 O VAL A 108 -8.683 1.853 -2.915 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.528 -0.707 -1.366 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -6.315 -1.070 -2.215 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.543 -1.515 -0.075 1.00 0.00 C ATOM 0 H VAL A 108 -9.603 1.008 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.653 1.079 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.425 -0.955 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.317 -2.142 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.356 -0.527 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.404 -0.801 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.521 -2.579 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.670 -1.259 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.449 -1.286 0.487 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.430 1.934 -2.906 1.00 0.00 N ATOM 1071 CA LYS A 109 -6.331 2.679 -4.161 1.00 0.00 C ATOM 1072 C LYS A 109 -5.166 2.168 -5.011 1.00 0.00 C ATOM 1073 O LYS A 109 -4.092 1.879 -4.487 1.00 0.00 O ATOM 1074 CB LYS A 109 -6.150 4.171 -3.875 1.00 0.00 C ATOM 1075 CG LYS A 109 -6.607 5.071 -5.010 1.00 0.00 C ATOM 1076 CD LYS A 109 -6.505 6.541 -4.635 1.00 0.00 C ATOM 1077 CE LYS A 109 -6.349 7.428 -5.863 1.00 0.00 C ATOM 1078 NZ LYS A 109 -7.460 7.243 -6.842 1.00 0.00 N ATOM 0 H LYS A 109 -5.531 1.715 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.256 2.529 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.705 4.429 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -5.098 4.367 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.001 4.878 -5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.638 4.832 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.397 6.838 -4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.654 6.688 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -6.312 8.472 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.399 7.207 -6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.356 7.927 -7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -7.428 6.276 -7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -8.372 7.397 -6.366 1.00 0.00 H new ATOM 1092 N PRO A 110 -5.364 2.051 -6.341 1.00 0.00 N ATOM 1093 CA PRO A 110 -4.317 1.572 -7.258 1.00 0.00 C ATOM 1094 C PRO A 110 -3.036 2.405 -7.170 1.00 0.00 C ATOM 1095 O PRO A 110 -3.080 3.634 -7.225 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.954 1.715 -8.645 1.00 0.00 C ATOM 1097 CG PRO A 110 -6.422 1.721 -8.396 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.614 2.372 -7.056 1.00 0.00 C ATOM 0 HA PRO A 110 -4.010 0.553 -7.021 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.633 2.635 -9.134 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.668 0.890 -9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.947 2.272 -9.176 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.822 0.707 -8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.759 3.448 -7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.487 1.976 -6.538 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.899 1.721 -7.039 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.602 2.388 -6.944 1.00 0.00 C ATOM 1108 C LEU A 111 0.271 2.040 -8.154 1.00 0.00 C ATOM 1109 O LEU A 111 0.177 0.937 -8.696 1.00 0.00 O ATOM 1110 CB LEU A 111 0.106 1.985 -5.646 1.00 0.00 C ATOM 1111 CG LEU A 111 1.153 2.978 -5.131 1.00 0.00 C ATOM 1112 CD1 LEU A 111 0.552 4.368 -4.980 1.00 0.00 C ATOM 1113 CD2 LEU A 111 1.733 2.499 -3.809 1.00 0.00 C ATOM 0 H LEU A 111 -1.851 0.703 -6.996 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.766 3.465 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.647 1.843 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.590 1.021 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 111 1.959 3.035 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.314 5.056 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.187 4.713 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.275 4.332 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.475 3.215 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.935 2.411 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.205 1.527 -3.950 1.00 0.00 H new ATOM 1125 N LEU A 112 1.114 2.985 -8.576 1.00 0.00 N ATOM 1126 CA LEU A 112 1.992 2.771 -9.725 1.00 0.00 C ATOM 1127 C LEU A 112 3.457 2.717 -9.306 1.00 0.00 C ATOM 1128 O LEU A 112 3.791 2.960 -8.145 1.00 0.00 O ATOM 1129 CB LEU A 112 1.796 3.885 -10.754 1.00 0.00 C ATOM 1130 CG LEU A 112 0.383 4.004 -11.325 1.00 0.00 C ATOM 1131 CD1 LEU A 112 0.338 5.099 -12.376 1.00 0.00 C ATOM 1132 CD2 LEU A 112 -0.072 2.674 -11.911 1.00 0.00 C ATOM 0 H LEU A 112 1.206 3.902 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 112 1.727 1.811 -10.168 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.065 4.835 -10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.491 3.723 -11.578 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.301 4.268 -10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.672 5.177 -12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.623 6.049 -11.924 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.031 4.858 -13.182 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.080 2.779 -12.312 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.608 2.377 -12.710 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.070 1.913 -11.131 1.00 0.00 H new ATOM 1144 N ASP A 113 4.327 2.409 -10.264 1.00 0.00 N ATOM 1145 CA ASP A 113 5.766 2.331 -10.006 1.00 0.00 C ATOM 1146 C ASP A 113 6.387 3.723 -10.001 1.00 0.00 C ATOM 1147 O ASP A 113 7.162 4.064 -9.106 1.00 0.00 O ATOM 1148 CB ASP A 113 6.464 1.454 -11.052 1.00 0.00 C ATOM 1149 CG ASP A 113 5.814 0.090 -11.218 1.00 0.00 C ATOM 1150 OD1 ASP A 113 5.431 -0.519 -10.198 1.00 0.00 O ATOM 1151 OD2 ASP A 113 5.695 -0.371 -12.370 1.00 0.00 O ATOM 0 H ASP A 113 4.062 2.209 -11.228 1.00 0.00 H new ATOM 0 HA ASP A 113 5.904 1.878 -9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.460 1.971 -12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.507 1.320 -10.767 1.00 0.00 H new ATOM 1156 N SER A 114 6.038 4.527 -11.007 1.00 0.00 N ATOM 1157 CA SER A 114 6.557 5.886 -11.115 1.00 0.00 C ATOM 1158 C SER A 114 6.133 6.725 -9.910 1.00 0.00 C ATOM 1159 O SER A 114 6.947 7.442 -9.334 1.00 0.00 O ATOM 1160 CB SER A 114 6.079 6.551 -12.410 1.00 0.00 C ATOM 1161 OG SER A 114 7.004 6.339 -13.461 1.00 0.00 O ATOM 0 H SER A 114 5.399 4.259 -11.756 1.00 0.00 H new ATOM 0 HA SER A 114 7.645 5.827 -11.135 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.105 6.150 -12.691 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.948 7.621 -12.247 1.00 0.00 H new ATOM 0 HG SER A 114 6.676 6.771 -14.277 1.00 0.00 H new ATOM 1167 N GLU A 115 4.855 6.625 -9.533 1.00 0.00 N ATOM 1168 CA GLU A 115 4.326 7.375 -8.392 1.00 0.00 C ATOM 1169 C GLU A 115 5.133 7.097 -7.123 1.00 0.00 C ATOM 1170 O GLU A 115 5.613 8.024 -6.471 1.00 0.00 O ATOM 1171 CB GLU A 115 2.853 7.026 -8.158 1.00 0.00 C ATOM 1172 CG GLU A 115 1.910 7.616 -9.195 1.00 0.00 C ATOM 1173 CD GLU A 115 0.545 7.948 -8.624 1.00 0.00 C ATOM 1174 OE1 GLU A 115 -0.057 7.068 -7.973 1.00 0.00 O ATOM 1175 OE2 GLU A 115 0.077 9.089 -8.830 1.00 0.00 O ATOM 0 H GLU A 115 4.169 6.033 -10.001 1.00 0.00 H new ATOM 0 HA GLU A 115 4.410 8.436 -8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.742 5.942 -8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.558 7.379 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.355 8.520 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.793 6.910 -10.017 1.00 0.00 H new ATOM 1182 N ILE A 116 5.284 5.815 -6.783 1.00 0.00 N ATOM 1183 CA ILE A 116 6.043 5.417 -5.597 1.00 0.00 C ATOM 1184 C ILE A 116 7.463 5.969 -5.674 1.00 0.00 C ATOM 1185 O ILE A 116 7.921 6.654 -4.758 1.00 0.00 O ATOM 1186 CB ILE A 116 6.105 3.879 -5.435 1.00 0.00 C ATOM 1187 CG1 ILE A 116 4.698 3.293 -5.295 1.00 0.00 C ATOM 1188 CG2 ILE A 116 6.957 3.501 -4.230 1.00 0.00 C ATOM 1189 CD1 ILE A 116 4.652 1.787 -5.463 1.00 0.00 C ATOM 0 H ILE A 116 4.891 5.036 -7.312 1.00 0.00 H new ATOM 0 HA ILE A 116 5.525 5.829 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 116 6.566 3.461 -6.330 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.300 3.554 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.045 3.754 -6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.989 2.416 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.969 3.883 -4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.524 3.934 -3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.625 1.440 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.020 1.520 -6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.278 1.317 -4.705 1.00 0.00 H new ATOM 1201 N ALA A 117 8.145 5.683 -6.786 1.00 0.00 N ATOM 1202 CA ALA A 117 9.506 6.173 -6.996 1.00 0.00 C ATOM 1203 C ALA A 117 9.545 7.693 -6.869 1.00 0.00 C ATOM 1204 O ALA A 117 10.525 8.266 -6.390 1.00 0.00 O ATOM 1205 CB ALA A 117 10.020 5.748 -8.365 1.00 0.00 C ATOM 0 H ALA A 117 7.777 5.117 -7.551 1.00 0.00 H new ATOM 0 HA ALA A 117 10.151 5.739 -6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 117 11.035 6.121 -8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.021 4.660 -8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.373 6.158 -9.140 1.00 0.00 H new ATOM 1211 N LYS A 118 8.460 8.336 -7.305 1.00 0.00 N ATOM 1212 CA LYS A 118 8.340 9.784 -7.248 1.00 0.00 C ATOM 1213 C LYS A 118 8.176 10.267 -5.818 1.00 0.00 C ATOM 1214 O LYS A 118 8.895 11.160 -5.374 1.00 0.00 O ATOM 1215 CB LYS A 118 7.154 10.253 -8.085 1.00 0.00 C ATOM 1216 CG LYS A 118 7.490 11.447 -8.944 1.00 0.00 C ATOM 1217 CD LYS A 118 7.526 11.066 -10.415 1.00 0.00 C ATOM 1218 CE LYS A 118 7.614 12.292 -11.313 1.00 0.00 C ATOM 1219 NZ LYS A 118 6.270 12.791 -11.712 1.00 0.00 N ATOM 0 H LYS A 118 7.647 7.866 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 118 9.259 10.208 -7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.816 9.435 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 118 6.325 10.506 -7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.751 12.233 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.456 11.854 -8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.381 10.416 -10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 118 6.632 10.495 -10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.155 13.083 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.189 12.046 -12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.377 13.626 -12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.763 12.046 -12.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.730 13.050 -10.862 1.00 0.00 H new ATOM 1233 N PHE A 119 7.226 9.671 -5.102 1.00 0.00 N ATOM 1234 CA PHE A 119 6.972 10.042 -3.708 1.00 0.00 C ATOM 1235 C PHE A 119 8.281 10.095 -2.927 1.00 0.00 C ATOM 1236 O PHE A 119 8.528 11.035 -2.171 1.00 0.00 O ATOM 1237 CB PHE A 119 6.009 9.041 -3.058 1.00 0.00 C ATOM 1238 CG PHE A 119 5.930 9.144 -1.554 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.807 8.429 -0.752 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.980 9.948 -0.948 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.736 8.513 0.625 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.904 10.036 0.429 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.783 9.317 1.215 1.00 0.00 C ATOM 0 H PHE A 119 6.621 8.932 -5.460 1.00 0.00 H new ATOM 0 HA PHE A 119 6.514 11.031 -3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 119 5.013 9.190 -3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.318 8.031 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.555 7.799 -1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 119 4.291 10.513 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.425 7.951 1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.158 10.666 0.890 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.724 9.384 2.291 1.00 0.00 H new ATOM 1253 N LEU A 120 9.118 9.081 -3.126 1.00 0.00 N ATOM 1254 CA LEU A 120 10.407 9.008 -2.456 1.00 0.00 C ATOM 1255 C LEU A 120 11.343 10.104 -2.957 1.00 0.00 C ATOM 1256 O LEU A 120 12.112 10.678 -2.182 1.00 0.00 O ATOM 1257 CB LEU A 120 11.045 7.641 -2.684 1.00 0.00 C ATOM 1258 CG LEU A 120 10.291 6.472 -2.051 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.264 5.279 -2.998 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.926 6.094 -0.723 1.00 0.00 C ATOM 0 H LEU A 120 8.923 8.297 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 120 10.242 9.153 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.124 7.466 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.060 7.658 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 120 9.262 6.779 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.723 4.456 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.765 5.561 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.285 4.965 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.379 5.260 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.964 5.802 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.891 6.948 -0.047 1.00 0.00 H new ATOM 1272 N GLY A 121 11.262 10.401 -4.259 1.00 0.00 N ATOM 1273 CA GLY A 121 12.098 11.436 -4.837 1.00 0.00 C ATOM 1274 C GLY A 121 11.456 12.814 -4.774 1.00 0.00 C ATOM 1275 O GLY A 121 11.857 13.720 -5.504 1.00 0.00 O ATOM 0 H GLY A 121 10.633 9.941 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 121 13.053 11.461 -4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 121 12.311 11.186 -5.876 1.00 0.00 H new ATOM 1369 N SER A 127 9.019 11.899 5.106 1.00 0.00 N ATOM 1370 CA SER A 127 9.301 11.524 6.491 1.00 0.00 C ATOM 1371 C SER A 127 10.108 10.229 6.541 1.00 0.00 C ATOM 1372 O SER A 127 9.968 9.375 5.672 1.00 0.00 O ATOM 1373 CB SER A 127 7.994 11.362 7.272 1.00 0.00 C ATOM 1374 OG SER A 127 7.725 12.512 8.055 1.00 0.00 O ATOM 0 HA SER A 127 9.890 12.317 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.171 11.189 6.579 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.058 10.485 7.917 1.00 0.00 H new ATOM 0 HG SER A 127 6.885 12.386 8.543 1.00 0.00 H new ATOM 1380 N LYS A 128 10.952 10.088 7.565 1.00 0.00 N ATOM 1381 CA LYS A 128 11.782 8.890 7.716 1.00 0.00 C ATOM 1382 C LYS A 128 10.929 7.622 7.660 1.00 0.00 C ATOM 1383 O LYS A 128 11.255 6.678 6.940 1.00 0.00 O ATOM 1384 CB LYS A 128 12.567 8.937 9.033 1.00 0.00 C ATOM 1385 CG LYS A 128 14.004 9.410 8.868 1.00 0.00 C ATOM 1386 CD LYS A 128 14.321 10.573 9.799 1.00 0.00 C ATOM 1387 CE LYS A 128 13.881 11.903 9.204 1.00 0.00 C ATOM 1388 NZ LYS A 128 14.770 12.345 8.093 1.00 0.00 N ATOM 0 H LYS A 128 11.079 10.785 8.299 1.00 0.00 H new ATOM 0 HA LYS A 128 12.489 8.868 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 128 12.053 9.599 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.569 7.943 9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.685 8.584 9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.171 9.714 7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 128 13.823 10.420 10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 128 15.392 10.599 9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 128 12.859 11.814 8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 128 13.873 12.663 9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 14.574 13.341 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 15.764 12.245 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.594 11.758 7.253 1.00 0.00 H new ATOM 1402 N GLU A 129 9.828 7.616 8.411 1.00 0.00 N ATOM 1403 CA GLU A 129 8.921 6.472 8.435 1.00 0.00 C ATOM 1404 C GLU A 129 8.198 6.317 7.095 1.00 0.00 C ATOM 1405 O GLU A 129 7.899 5.200 6.671 1.00 0.00 O ATOM 1406 CB GLU A 129 7.898 6.627 9.564 1.00 0.00 C ATOM 1407 CG GLU A 129 8.456 6.332 10.947 1.00 0.00 C ATOM 1408 CD GLU A 129 7.687 7.038 12.045 1.00 0.00 C ATOM 1409 OE1 GLU A 129 6.591 6.559 12.406 1.00 0.00 O ATOM 1410 OE2 GLU A 129 8.179 8.073 12.543 1.00 0.00 O ATOM 0 H GLU A 129 9.544 8.391 9.010 1.00 0.00 H new ATOM 0 HA GLU A 129 9.515 5.576 8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.508 7.645 9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.057 5.961 9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.431 5.257 11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.502 6.637 10.986 1.00 0.00 H new ATOM 1417 N LEU A 130 7.917 7.443 6.435 1.00 0.00 N ATOM 1418 CA LEU A 130 7.225 7.423 5.145 1.00 0.00 C ATOM 1419 C LEU A 130 8.162 6.991 4.019 1.00 0.00 C ATOM 1420 O LEU A 130 7.791 6.173 3.176 1.00 0.00 O ATOM 1421 CB LEU A 130 6.628 8.801 4.830 1.00 0.00 C ATOM 1422 CG LEU A 130 5.132 8.949 5.128 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.762 10.418 5.290 1.00 0.00 C ATOM 1424 CD2 LEU A 130 4.300 8.304 4.026 1.00 0.00 C ATOM 0 H LEU A 130 8.157 8.376 6.771 1.00 0.00 H new ATOM 0 HA LEU A 130 6.417 6.694 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.172 9.554 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.795 9.019 3.775 1.00 0.00 H new ATOM 0 HG LEU A 130 4.916 8.436 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.696 10.504 5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 130 5.331 10.848 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.994 10.955 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.241 8.419 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.520 8.787 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.544 7.244 3.960 1.00 0.00 H new ATOM 1436 N ILE A 131 9.377 7.540 4.005 1.00 0.00 N ATOM 1437 CA ILE A 131 10.357 7.201 2.976 1.00 0.00 C ATOM 1438 C ILE A 131 10.656 5.708 2.988 1.00 0.00 C ATOM 1439 O ILE A 131 10.521 5.035 1.969 1.00 0.00 O ATOM 1440 CB ILE A 131 11.679 7.980 3.153 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.432 9.492 3.081 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.685 7.550 2.093 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.299 10.296 4.027 1.00 0.00 C ATOM 0 H ILE A 131 9.704 8.219 4.692 1.00 0.00 H new ATOM 0 HA ILE A 131 9.916 7.483 2.020 1.00 0.00 H new ATOM 0 HB ILE A 131 12.088 7.751 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.610 9.832 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.384 9.691 3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.614 8.105 2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.883 6.483 2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.279 7.754 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.068 11.356 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.104 9.984 5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.349 10.127 3.790 1.00 0.00 H new ATOM 1455 N GLU A 132 11.052 5.193 4.149 1.00 0.00 N ATOM 1456 CA GLU A 132 11.358 3.771 4.289 1.00 0.00 C ATOM 1457 C GLU A 132 10.180 2.921 3.812 1.00 0.00 C ATOM 1458 O GLU A 132 10.363 1.800 3.335 1.00 0.00 O ATOM 1459 CB GLU A 132 11.693 3.436 5.745 1.00 0.00 C ATOM 1460 CG GLU A 132 12.949 4.128 6.254 1.00 0.00 C ATOM 1461 CD GLU A 132 14.211 3.364 5.907 1.00 0.00 C ATOM 1462 OE1 GLU A 132 14.472 2.326 6.550 1.00 0.00 O ATOM 1463 OE2 GLU A 132 14.935 3.800 4.987 1.00 0.00 O ATOM 0 H GLU A 132 11.168 5.736 5.004 1.00 0.00 H new ATOM 0 HA GLU A 132 12.226 3.545 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.851 3.718 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.817 2.357 5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.006 5.130 5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 132 12.884 4.244 7.336 1.00 0.00 H new ATOM 1470 N ALA A 133 8.972 3.471 3.941 1.00 0.00 N ATOM 1471 CA ALA A 133 7.760 2.782 3.521 1.00 0.00 C ATOM 1472 C ALA A 133 7.714 2.612 2.015 1.00 0.00 C ATOM 1473 O ALA A 133 7.581 1.497 1.510 1.00 0.00 O ATOM 1474 CB ALA A 133 6.533 3.543 3.995 1.00 0.00 C ATOM 0 H ALA A 133 8.811 4.398 4.336 1.00 0.00 H new ATOM 0 HA ALA A 133 7.766 1.790 3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.633 3.018 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.545 3.612 5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.539 4.546 3.568 1.00 0.00 H new ATOM 1480 N TYR A 134 7.825 3.726 1.301 1.00 0.00 N ATOM 1481 CA TYR A 134 7.795 3.690 -0.154 1.00 0.00 C ATOM 1482 C TYR A 134 9.046 3.006 -0.697 1.00 0.00 C ATOM 1483 O TYR A 134 8.999 2.362 -1.744 1.00 0.00 O ATOM 1484 CB TYR A 134 7.650 5.097 -0.732 1.00 0.00 C ATOM 1485 CG TYR A 134 6.208 5.527 -0.898 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.363 5.639 0.200 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.690 5.824 -2.153 1.00 0.00 C ATOM 1488 CE1 TYR A 134 4.046 6.033 0.052 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.374 6.219 -2.309 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.556 6.321 -1.203 1.00 0.00 C ATOM 1491 OH TYR A 134 2.246 6.715 -1.354 1.00 0.00 O ATOM 0 H TYR A 134 7.936 4.657 1.702 1.00 0.00 H new ATOM 0 HA TYR A 134 6.925 3.110 -0.463 1.00 0.00 H new ATOM 0 HB2 TYR A 134 8.161 5.805 -0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 134 8.149 5.138 -1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.742 5.414 1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.327 5.745 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.404 6.115 0.917 1.00 0.00 H new ATOM 0 HE2 TYR A 134 3.989 6.447 -3.292 1.00 0.00 H new ATOM 0 HH TYR A 134 2.061 6.881 -2.302 1.00 0.00 H new ATOM 1501 N GLU A 135 10.157 3.126 0.032 1.00 0.00 N ATOM 1502 CA GLU A 135 11.405 2.489 -0.372 1.00 0.00 C ATOM 1503 C GLU A 135 11.284 0.973 -0.260 1.00 0.00 C ATOM 1504 O GLU A 135 11.888 0.234 -1.039 1.00 0.00 O ATOM 1505 CB GLU A 135 12.572 2.976 0.488 1.00 0.00 C ATOM 1506 CG GLU A 135 13.780 3.411 -0.323 1.00 0.00 C ATOM 1507 CD GLU A 135 14.321 2.296 -1.198 1.00 0.00 C ATOM 1508 OE1 GLU A 135 15.138 1.493 -0.702 1.00 0.00 O ATOM 1509 OE2 GLU A 135 13.921 2.221 -2.381 1.00 0.00 O ATOM 0 H GLU A 135 10.215 3.657 0.901 1.00 0.00 H new ATOM 0 HA GLU A 135 11.601 2.760 -1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.237 3.811 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.869 2.178 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 135 13.507 4.261 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 135 14.564 3.752 0.353 1.00 0.00 H new ATOM 1516 N ALA A 136 10.484 0.516 0.710 1.00 0.00 N ATOM 1517 CA ALA A 136 10.269 -0.913 0.920 1.00 0.00 C ATOM 1518 C ALA A 136 9.250 -1.462 -0.079 1.00 0.00 C ATOM 1519 O ALA A 136 9.344 -2.612 -0.508 1.00 0.00 O ATOM 1520 CB ALA A 136 9.811 -1.171 2.345 1.00 0.00 C ATOM 0 H ALA A 136 9.977 1.117 1.359 1.00 0.00 H new ATOM 0 HA ALA A 136 11.214 -1.431 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.654 -2.240 2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.572 -0.819 3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.877 -0.639 2.529 1.00 0.00 H new ATOM 1526 N SER A 137 8.283 -0.620 -0.448 1.00 0.00 N ATOM 1527 CA SER A 137 7.245 -1.000 -1.403 1.00 0.00 C ATOM 1528 C SER A 137 7.743 -0.876 -2.848 1.00 0.00 C ATOM 1529 O SER A 137 7.159 -1.459 -3.762 1.00 0.00 O ATOM 1530 CB SER A 137 5.993 -0.139 -1.199 1.00 0.00 C ATOM 1531 OG SER A 137 6.159 1.159 -1.752 1.00 0.00 O ATOM 0 H SER A 137 8.199 0.334 -0.097 1.00 0.00 H new ATOM 0 HA SER A 137 6.992 -2.045 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 137 5.135 -0.626 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.776 -0.057 -0.134 1.00 0.00 H new ATOM 0 HG SER A 137 7.105 1.411 -1.717 1.00 0.00 H new ATOM 1537 N LYS A 138 8.813 -0.104 -3.053 1.00 0.00 N ATOM 1538 CA LYS A 138 9.375 0.099 -4.387 1.00 0.00 C ATOM 1539 C LYS A 138 9.777 -1.225 -5.044 1.00 0.00 C ATOM 1540 O LYS A 138 9.518 -1.431 -6.230 1.00 0.00 O ATOM 1541 CB LYS A 138 10.587 1.032 -4.320 1.00 0.00 C ATOM 1542 CG LYS A 138 10.286 2.454 -4.766 1.00 0.00 C ATOM 1543 CD LYS A 138 10.770 2.716 -6.185 1.00 0.00 C ATOM 1544 CE LYS A 138 9.851 2.087 -7.222 1.00 0.00 C ATOM 1545 NZ LYS A 138 10.476 2.048 -8.575 1.00 0.00 N ATOM 0 H LYS A 138 9.307 0.391 -2.310 1.00 0.00 H new ATOM 0 HA LYS A 138 8.598 0.556 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 138 10.963 1.053 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.383 0.625 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 138 9.212 2.633 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 138 10.763 3.158 -4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 138 10.829 3.791 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 138 11.778 2.319 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 138 9.595 1.074 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 138 8.919 2.651 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 9.738 2.144 -9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.156 2.830 -8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 10.971 1.142 -8.703 1.00 0.00 H new ATOM 1559 N THR A 139 10.418 -2.112 -4.278 1.00 0.00 N ATOM 1560 CA THR A 139 10.859 -3.407 -4.804 1.00 0.00 C ATOM 1561 C THR A 139 10.514 -4.550 -3.846 1.00 0.00 C ATOM 1562 O THR A 139 11.399 -5.136 -3.217 1.00 0.00 O ATOM 1563 CB THR A 139 12.369 -3.386 -5.080 1.00 0.00 C ATOM 1564 OG1 THR A 139 12.813 -2.077 -5.391 1.00 0.00 O ATOM 1565 CG2 THR A 139 12.781 -4.290 -6.221 1.00 0.00 C ATOM 0 H THR A 139 10.643 -1.958 -3.295 1.00 0.00 H new ATOM 0 HA THR A 139 10.328 -3.582 -5.739 1.00 0.00 H new ATOM 0 HB THR A 139 12.830 -3.748 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 139 13.778 -2.091 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 139 13.860 -4.228 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 139 12.504 -5.318 -5.989 1.00 0.00 H new ATOM 0 HG23 THR A 139 12.276 -3.976 -7.135 1.00 0.00 H new