USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 374 hydrogens (5 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 NoAdj-H: B 24 DAL H2 : B 24 DAL N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DAL H : B 24 DAL N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 143:sc= -1.17! USER MOD Set 1.2: A 14 TYR OH : rot -70:sc= 0.111 USER MOD Single : A 1 GLY N :NH3+ -170:sc= 0 (180deg=-0.00792) USER MOD Single : A 5 GLN : amide:sc= -1.25 K(o=-1.3,f=-6.2!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.5 K(o=-1.5,f=-3!) USER MOD Single : A 18 ASN : amide:sc= -0.355 K(o=-0.36,f=-3!) USER MOD Single : A 19 TYR OH : rot 148:sc= 0.121 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 148:sc= 0.0273 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -3.16! C(o=-3.2!,f=-7.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 109:sc= -2.18! USER MOD Single : B 28 LYS NZ :NH3+ -150:sc= -0.193 (180deg=-1.21!) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.422 3.611 6.249 1.00 0.00 N ATOM 2 CA GLY A 1 -8.026 2.609 5.166 1.00 0.00 C ATOM 3 C GLY A 1 -6.652 2.660 4.589 1.00 0.00 C ATOM 4 O GLY A 1 -5.714 3.085 5.233 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.338 3.336 6.658 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.698 3.620 6.995 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.500 4.560 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.172 1.610 5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.731 2.722 4.342 1.00 0.00 H new ATOM 10 N ILE A 2 -6.495 2.232 3.367 1.00 0.00 N ATOM 11 CA ILE A 2 -5.147 2.256 2.737 1.00 0.00 C ATOM 12 C ILE A 2 -4.900 3.631 2.111 1.00 0.00 C ATOM 13 O ILE A 2 -4.189 4.452 2.654 1.00 0.00 O ATOM 14 CB ILE A 2 -5.074 1.182 1.652 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.332 -0.191 2.275 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.688 1.197 1.012 1.00 0.00 C ATOM 17 CD1 ILE A 2 -5.317 -1.261 1.180 1.00 0.00 C ATOM 0 H ILE A 2 -7.243 1.867 2.778 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.388 2.061 3.495 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.828 1.384 0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.571 -0.411 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.294 -0.194 2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.636 0.431 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.503 2.175 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.934 0.996 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.501 -2.239 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.095 -1.043 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.345 -1.263 0.687 1.00 0.00 H new ATOM 29 N VAL A 3 -5.483 3.886 0.970 1.00 0.00 N ATOM 30 CA VAL A 3 -5.283 5.203 0.305 1.00 0.00 C ATOM 31 C VAL A 3 -5.358 6.324 1.345 1.00 0.00 C ATOM 32 O VAL A 3 -4.711 7.344 1.217 1.00 0.00 O ATOM 33 CB VAL A 3 -6.374 5.411 -0.746 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.035 4.602 -2.000 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.715 4.940 -0.183 1.00 0.00 C ATOM 0 H VAL A 3 -6.090 3.236 0.470 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.304 5.221 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.437 6.468 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.812 4.750 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.077 4.935 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.974 3.544 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.495 5.087 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.651 3.882 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.956 5.515 0.711 1.00 0.00 H new ATOM 45 N GLU A 4 -6.145 6.142 2.370 1.00 0.00 N ATOM 46 CA GLU A 4 -6.266 7.194 3.417 1.00 0.00 C ATOM 47 C GLU A 4 -4.882 7.758 3.743 1.00 0.00 C ATOM 48 O GLU A 4 -4.675 8.955 3.747 1.00 0.00 O ATOM 49 CB GLU A 4 -6.881 6.589 4.679 1.00 0.00 C ATOM 50 CG GLU A 4 -7.165 7.701 5.691 1.00 0.00 C ATOM 51 CD GLU A 4 -8.664 7.746 5.992 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.418 8.093 5.099 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.032 7.435 7.113 1.00 0.00 O ATOM 0 H GLU A 4 -6.710 5.308 2.527 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.905 7.997 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.803 6.064 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.202 5.854 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.604 7.524 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.834 8.661 5.295 1.00 0.00 H new ATOM 60 N GLN A 5 -3.931 6.909 4.020 1.00 0.00 N ATOM 61 CA GLN A 5 -2.567 7.410 4.344 1.00 0.00 C ATOM 62 C GLN A 5 -1.634 7.170 3.157 1.00 0.00 C ATOM 63 O GLN A 5 -0.650 7.861 2.982 1.00 0.00 O ATOM 64 CB GLN A 5 -2.026 6.679 5.574 1.00 0.00 C ATOM 65 CG GLN A 5 -3.132 6.558 6.624 1.00 0.00 C ATOM 66 CD GLN A 5 -3.331 7.909 7.313 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.422 8.929 6.660 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.402 7.960 8.615 1.00 0.00 N ATOM 0 H GLN A 5 -4.039 5.895 4.036 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.620 8.478 4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.667 5.689 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.175 7.221 5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.061 6.237 6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.868 5.798 7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.326 7.104 9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.534 8.856 9.084 1.00 0.00 H new ATOM 77 N CYS A 6 -1.934 6.202 2.334 1.00 0.00 N ATOM 78 CA CYS A 6 -1.059 5.937 1.159 1.00 0.00 C ATOM 79 C CYS A 6 -1.555 6.758 -0.033 1.00 0.00 C ATOM 80 O CYS A 6 -1.352 6.405 -1.178 1.00 0.00 O ATOM 81 CB CYS A 6 -1.088 4.446 0.819 1.00 0.00 C ATOM 82 SG CYS A 6 0.085 3.571 1.887 1.00 0.00 S ATOM 0 H CYS A 6 -2.743 5.587 2.424 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.034 6.224 1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.093 4.048 0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.828 4.294 -0.229 1.00 0.00 H new ATOM 87 N CYS A 7 -2.201 7.858 0.237 1.00 0.00 N ATOM 88 CA CYS A 7 -2.714 8.727 -0.857 1.00 0.00 C ATOM 89 C CYS A 7 -3.057 10.095 -0.268 1.00 0.00 C ATOM 90 O CYS A 7 -2.804 11.122 -0.864 1.00 0.00 O ATOM 91 CB CYS A 7 -3.964 8.100 -1.470 1.00 0.00 C ATOM 92 SG CYS A 7 -4.337 8.918 -3.044 1.00 0.00 S ATOM 0 H CYS A 7 -2.397 8.195 1.180 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.958 8.835 -1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.808 7.033 -1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.807 8.200 -0.787 1.00 0.00 H new ATOM 97 N THR A 8 -3.607 10.116 0.917 1.00 0.00 N ATOM 98 CA THR A 8 -3.937 11.415 1.559 1.00 0.00 C ATOM 99 C THR A 8 -2.753 11.796 2.453 1.00 0.00 C ATOM 100 O THR A 8 -2.518 12.951 2.747 1.00 0.00 O ATOM 101 CB THR A 8 -5.246 11.267 2.369 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.254 12.066 1.767 1.00 0.00 O ATOM 103 CG2 THR A 8 -5.061 11.711 3.827 1.00 0.00 C ATOM 0 H THR A 8 -3.841 9.288 1.465 1.00 0.00 H new ATOM 0 HA THR A 8 -4.099 12.202 0.822 1.00 0.00 H new ATOM 0 HB THR A 8 -5.532 10.215 2.367 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.088 11.977 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.001 11.593 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.293 11.098 4.299 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.757 12.757 3.853 1.00 0.00 H new ATOM 111 N SER A 9 -2.003 10.815 2.867 1.00 0.00 N ATOM 112 CA SER A 9 -0.816 11.069 3.725 1.00 0.00 C ATOM 113 C SER A 9 0.432 10.587 2.978 1.00 0.00 C ATOM 114 O SER A 9 0.557 10.780 1.785 1.00 0.00 O ATOM 115 CB SER A 9 -0.977 10.298 5.034 1.00 0.00 C ATOM 116 OG SER A 9 -0.220 10.935 6.054 1.00 0.00 O ATOM 0 H SER A 9 -2.166 9.833 2.643 1.00 0.00 H new ATOM 0 HA SER A 9 -0.720 12.132 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.029 10.258 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.642 9.269 4.906 1.00 0.00 H new ATOM 0 HG SER A 9 -0.324 10.442 6.895 1.00 0.00 H new ATOM 122 N ILE A 10 1.353 9.953 3.653 1.00 0.00 N ATOM 123 CA ILE A 10 2.572 9.463 2.952 1.00 0.00 C ATOM 124 C ILE A 10 2.626 7.935 3.036 1.00 0.00 C ATOM 125 O ILE A 10 2.504 7.357 4.098 1.00 0.00 O ATOM 126 CB ILE A 10 3.818 10.062 3.608 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.900 11.559 3.284 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.063 9.356 3.074 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.656 11.780 1.789 1.00 0.00 C ATOM 0 H ILE A 10 1.314 9.755 4.653 1.00 0.00 H new ATOM 0 HA ILE A 10 2.538 9.767 1.906 1.00 0.00 H new ATOM 0 HB ILE A 10 3.759 9.928 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.161 12.108 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.879 11.948 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.951 9.782 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.006 8.293 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.122 9.489 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.715 12.845 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.412 11.245 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.667 11.408 1.523 1.00 0.00 H new ATOM 141 N CYS A 11 2.798 7.276 1.921 1.00 0.00 N ATOM 142 CA CYS A 11 2.849 5.784 1.933 1.00 0.00 C ATOM 143 C CYS A 11 4.299 5.317 2.084 1.00 0.00 C ATOM 144 O CYS A 11 5.183 5.763 1.381 1.00 0.00 O ATOM 145 CB CYS A 11 2.276 5.249 0.619 1.00 0.00 C ATOM 146 SG CYS A 11 1.800 3.512 0.820 1.00 0.00 S ATOM 0 H CYS A 11 2.905 7.706 1.002 1.00 0.00 H new ATOM 0 HA CYS A 11 2.262 5.408 2.771 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.410 5.841 0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.015 5.343 -0.176 1.00 0.00 H new ATOM 151 N SER A 12 4.548 4.421 3.000 1.00 0.00 N ATOM 152 CA SER A 12 5.934 3.922 3.205 1.00 0.00 C ATOM 153 C SER A 12 5.975 2.408 2.977 1.00 0.00 C ATOM 154 O SER A 12 4.953 1.752 2.909 1.00 0.00 O ATOM 155 CB SER A 12 6.368 4.233 4.632 1.00 0.00 C ATOM 156 OG SER A 12 5.215 4.469 5.430 1.00 0.00 O ATOM 0 H SER A 12 3.846 4.012 3.617 1.00 0.00 H new ATOM 0 HA SER A 12 6.607 4.409 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.943 3.401 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.019 5.107 4.645 1.00 0.00 H new ATOM 0 HG SER A 12 5.358 4.102 6.327 1.00 0.00 H new ATOM 162 N LEU A 13 7.150 1.849 2.859 1.00 0.00 N ATOM 163 CA LEU A 13 7.260 0.380 2.635 1.00 0.00 C ATOM 164 C LEU A 13 6.755 -0.372 3.867 1.00 0.00 C ATOM 165 O LEU A 13 6.232 -1.463 3.766 1.00 0.00 O ATOM 166 CB LEU A 13 8.717 0.008 2.377 1.00 0.00 C ATOM 167 CG LEU A 13 8.767 -1.225 1.475 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.137 -2.415 2.200 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.993 -0.948 0.183 1.00 0.00 C ATOM 0 H LEU A 13 8.038 2.348 2.908 1.00 0.00 H new ATOM 0 HA LEU A 13 6.655 0.105 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.240 0.840 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.226 -0.195 3.319 1.00 0.00 H new ATOM 0 HG LEU A 13 9.805 -1.454 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.173 -3.294 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.689 -2.615 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.099 -2.185 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.030 -1.828 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.955 -0.717 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.442 -0.101 -0.336 1.00 0.00 H new ATOM 181 N TYR A 14 6.903 0.196 5.030 1.00 0.00 N ATOM 182 CA TYR A 14 6.425 -0.499 6.257 1.00 0.00 C ATOM 183 C TYR A 14 4.913 -0.310 6.384 1.00 0.00 C ATOM 184 O TYR A 14 4.232 -1.080 7.032 1.00 0.00 O ATOM 185 CB TYR A 14 7.122 0.082 7.489 1.00 0.00 C ATOM 186 CG TYR A 14 6.962 1.583 7.504 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.721 2.153 7.821 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.056 2.406 7.206 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.575 3.547 7.840 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.910 3.800 7.225 1.00 0.00 C ATOM 191 CZ TYR A 14 6.671 4.370 7.542 1.00 0.00 C ATOM 192 OH TYR A 14 6.527 5.743 7.561 1.00 0.00 O ATOM 0 H TYR A 14 7.333 1.108 5.184 1.00 0.00 H new ATOM 0 HA TYR A 14 6.658 -1.562 6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.697 -0.348 8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.180 -0.180 7.478 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.878 1.518 8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.012 1.966 6.962 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.619 3.987 8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.753 4.434 6.995 1.00 0.00 H new ATOM 0 HH TYR A 14 5.976 6.025 6.801 1.00 0.00 H new ATOM 202 N GLN A 15 4.382 0.710 5.767 1.00 0.00 N ATOM 203 CA GLN A 15 2.916 0.949 5.848 1.00 0.00 C ATOM 204 C GLN A 15 2.178 -0.127 5.060 1.00 0.00 C ATOM 205 O GLN A 15 1.258 -0.744 5.558 1.00 0.00 O ATOM 206 CB GLN A 15 2.586 2.325 5.272 1.00 0.00 C ATOM 207 CG GLN A 15 2.242 3.286 6.411 1.00 0.00 C ATOM 208 CD GLN A 15 1.342 4.404 5.882 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.168 4.545 4.687 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.758 5.209 6.727 1.00 0.00 N ATOM 0 H GLN A 15 4.902 1.388 5.210 1.00 0.00 H new ATOM 0 HA GLN A 15 2.602 0.912 6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.435 2.706 4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.747 2.250 4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.738 2.749 7.214 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.154 3.708 6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.905 5.090 7.729 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.155 5.957 6.385 1.00 0.00 H new ATOM 219 N LEU A 16 2.567 -0.375 3.839 1.00 0.00 N ATOM 220 CA LEU A 16 1.868 -1.419 3.066 1.00 0.00 C ATOM 221 C LEU A 16 2.293 -2.782 3.621 1.00 0.00 C ATOM 222 O LEU A 16 1.629 -3.780 3.428 1.00 0.00 O ATOM 223 CB LEU A 16 2.198 -1.240 1.572 1.00 0.00 C ATOM 224 CG LEU A 16 3.278 -2.215 1.096 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.473 -2.154 2.041 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.707 -3.637 1.060 1.00 0.00 C ATOM 0 H LEU A 16 3.330 0.098 3.355 1.00 0.00 H new ATOM 0 HA LEU A 16 0.785 -1.345 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.293 -1.387 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.531 -0.217 1.396 1.00 0.00 H new ATOM 0 HG LEU A 16 3.603 -1.938 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.241 -2.849 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.878 -1.142 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.156 -2.428 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.477 -4.330 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.377 -3.922 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.860 -3.672 0.374 1.00 0.00 H new ATOM 238 N GLU A 17 3.383 -2.821 4.345 1.00 0.00 N ATOM 239 CA GLU A 17 3.823 -4.104 4.947 1.00 0.00 C ATOM 240 C GLU A 17 2.806 -4.447 6.021 1.00 0.00 C ATOM 241 O GLU A 17 2.512 -5.594 6.293 1.00 0.00 O ATOM 242 CB GLU A 17 5.210 -3.935 5.570 1.00 0.00 C ATOM 243 CG GLU A 17 6.270 -4.499 4.620 1.00 0.00 C ATOM 244 CD GLU A 17 7.561 -4.767 5.396 1.00 0.00 C ATOM 245 OE1 GLU A 17 8.118 -3.820 5.926 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.971 -5.915 5.447 1.00 0.00 O ATOM 0 H GLU A 17 3.982 -2.019 4.542 1.00 0.00 H new ATOM 0 HA GLU A 17 3.886 -4.894 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.406 -2.881 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.255 -4.451 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.910 -5.421 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.460 -3.794 3.810 1.00 0.00 H new ATOM 253 N ASN A 18 2.238 -3.431 6.600 1.00 0.00 N ATOM 254 CA ASN A 18 1.195 -3.627 7.630 1.00 0.00 C ATOM 255 C ASN A 18 -0.077 -4.082 6.918 1.00 0.00 C ATOM 256 O ASN A 18 -0.920 -4.754 7.478 1.00 0.00 O ATOM 257 CB ASN A 18 0.949 -2.295 8.342 1.00 0.00 C ATOM 258 CG ASN A 18 1.663 -2.292 9.695 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.383 -3.216 10.018 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.493 -1.284 10.506 1.00 0.00 N ATOM 0 H ASN A 18 2.459 -2.456 6.397 1.00 0.00 H new ATOM 0 HA ASN A 18 1.499 -4.371 8.366 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.311 -1.471 7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.121 -2.140 8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.964 -1.272 11.410 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.889 -0.508 10.235 1.00 0.00 H new ATOM 267 N TYR A 19 -0.203 -3.721 5.669 1.00 0.00 N ATOM 268 CA TYR A 19 -1.395 -4.123 4.878 1.00 0.00 C ATOM 269 C TYR A 19 -1.360 -5.638 4.654 1.00 0.00 C ATOM 270 O TYR A 19 -2.384 -6.283 4.536 1.00 0.00 O ATOM 271 CB TYR A 19 -1.362 -3.396 3.527 1.00 0.00 C ATOM 272 CG TYR A 19 -1.557 -1.907 3.730 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.854 -1.394 5.003 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.437 -1.035 2.639 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.028 -0.016 5.182 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.612 0.344 2.819 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.907 0.853 4.090 1.00 0.00 C ATOM 278 OH TYR A 19 -2.078 2.211 4.266 1.00 0.00 O ATOM 0 H TYR A 19 0.479 -3.158 5.160 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.308 -3.859 5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.410 -3.581 3.029 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.144 -3.787 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.948 -2.063 5.845 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.209 -1.426 1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.255 0.377 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.519 1.014 1.977 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.505 2.697 3.637 1.00 0.00 H new ATOM 288 N CYS A 20 -0.187 -6.211 4.603 1.00 0.00 N ATOM 289 CA CYS A 20 -0.079 -7.685 4.397 1.00 0.00 C ATOM 290 C CYS A 20 1.176 -8.204 5.101 1.00 0.00 C ATOM 291 O CYS A 20 2.231 -7.606 5.031 1.00 0.00 O ATOM 292 CB CYS A 20 0.017 -7.992 2.900 1.00 0.00 C ATOM 293 SG CYS A 20 1.450 -7.143 2.196 1.00 0.00 S ATOM 0 H CYS A 20 0.703 -5.721 4.695 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.962 -8.173 4.810 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.106 -9.067 2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.893 -7.671 2.394 1.00 0.00 H new ATOM 298 N ASN A 21 1.072 -9.313 5.781 1.00 0.00 N ATOM 299 CA ASN A 21 2.260 -9.867 6.489 1.00 0.00 C ATOM 300 C ASN A 21 2.972 -8.741 7.242 1.00 0.00 C ATOM 301 O ASN A 21 2.439 -8.297 8.247 1.00 0.00 O ATOM 302 CB ASN A 21 3.221 -10.485 5.471 1.00 0.00 C ATOM 303 CG ASN A 21 3.182 -12.009 5.593 1.00 0.00 C ATOM 304 OD1 ASN A 21 2.297 -12.652 5.062 1.00 0.00 O ATOM 305 ND2 ASN A 21 4.111 -12.621 6.276 1.00 0.00 N ATOM 306 OXT ASN A 21 4.038 -8.343 6.804 1.00 0.00 O ATOM 0 H ASN A 21 0.216 -9.859 5.877 1.00 0.00 H new ATOM 0 HA ASN A 21 1.938 -10.633 7.195 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.942 -10.183 4.462 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.234 -10.121 5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.094 -13.637 6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.854 -12.083 6.722 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.419 5.956 0.741 1.00 0.00 N ATOM 315 CA PHE B 1 12.229 5.096 0.482 1.00 0.00 C ATOM 316 C PHE B 1 11.122 5.937 -0.158 1.00 0.00 C ATOM 317 O PHE B 1 11.316 7.090 -0.487 1.00 0.00 O ATOM 318 CB PHE B 1 11.726 4.512 1.805 1.00 0.00 C ATOM 319 CG PHE B 1 12.026 2.993 1.833 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.243 2.085 1.076 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.094 2.478 2.609 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.521 0.713 1.106 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.359 1.103 2.626 1.00 0.00 C ATOM 324 CZ PHE B 1 12.576 0.224 1.878 1.00 0.00 C ATOM 0 H1 PHE B 1 13.914 5.617 1.591 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.062 5.913 -0.075 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.112 6.939 0.888 1.00 0.00 H new ATOM 0 HA PHE B 1 12.505 4.285 -0.192 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.214 5.007 2.645 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.655 4.686 1.910 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.427 2.454 0.472 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.707 3.150 3.191 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.916 0.030 0.529 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.175 0.721 3.222 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.786 -0.835 1.896 1.00 0.00 H new ATOM 336 N VAL B 2 9.960 5.369 -0.336 1.00 0.00 N ATOM 337 CA VAL B 2 8.842 6.137 -0.954 1.00 0.00 C ATOM 338 C VAL B 2 8.136 6.963 0.123 1.00 0.00 C ATOM 339 O VAL B 2 8.001 6.539 1.253 1.00 0.00 O ATOM 340 CB VAL B 2 7.845 5.166 -1.585 1.00 0.00 C ATOM 341 CG1 VAL B 2 8.576 4.248 -2.566 1.00 0.00 C ATOM 342 CG2 VAL B 2 7.198 4.324 -0.486 1.00 0.00 C ATOM 0 H VAL B 2 9.737 4.407 -0.080 1.00 0.00 H new ATOM 0 HA VAL B 2 9.238 6.802 -1.722 1.00 0.00 H new ATOM 0 HB VAL B 2 7.077 5.726 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL B 2 7.864 3.556 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.042 4.848 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.343 3.685 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL B 2 6.486 3.630 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.968 3.764 0.044 1.00 0.00 H new ATOM 0 HG23 VAL B 2 6.678 4.977 0.214 1.00 0.00 H new ATOM 352 N ASN B 3 7.687 8.142 -0.216 1.00 0.00 N ATOM 353 CA ASN B 3 6.995 8.988 0.797 1.00 0.00 C ATOM 354 C ASN B 3 6.044 9.962 0.097 1.00 0.00 C ATOM 355 O ASN B 3 5.982 11.129 0.429 1.00 0.00 O ATOM 356 CB ASN B 3 8.035 9.778 1.595 1.00 0.00 C ATOM 357 CG ASN B 3 9.207 10.147 0.682 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.324 9.725 0.909 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.999 10.920 -0.347 1.00 0.00 N ATOM 0 H ASN B 3 7.769 8.553 -1.146 1.00 0.00 H new ATOM 0 HA ASN B 3 6.424 8.349 1.470 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.584 10.680 2.008 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.390 9.185 2.438 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.774 11.171 -0.961 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.062 11.274 -0.538 1.00 0.00 H new ATOM 366 N GLN B 4 5.304 9.496 -0.872 1.00 0.00 N ATOM 367 CA GLN B 4 4.366 10.394 -1.592 1.00 0.00 C ATOM 368 C GLN B 4 2.971 9.763 -1.633 1.00 0.00 C ATOM 369 O GLN B 4 2.738 8.709 -1.076 1.00 0.00 O ATOM 370 CB GLN B 4 4.876 10.591 -3.017 1.00 0.00 C ATOM 371 CG GLN B 4 5.585 11.942 -3.126 1.00 0.00 C ATOM 372 CD GLN B 4 5.576 12.408 -4.583 1.00 0.00 C ATOM 373 OE1 GLN B 4 4.674 13.105 -5.004 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.548 12.051 -5.375 1.00 0.00 N ATOM 0 H GLN B 4 5.311 8.528 -1.195 1.00 0.00 H new ATOM 0 HA GLN B 4 4.306 11.353 -1.078 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.562 9.787 -3.283 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.045 10.547 -3.721 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.087 12.678 -2.495 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.611 11.856 -2.767 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.305 11.466 -5.022 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.551 12.357 -6.348 1.00 0.00 H new ATOM 383 N HIS B 5 2.042 10.404 -2.291 1.00 0.00 N ATOM 384 CA HIS B 5 0.661 9.846 -2.376 1.00 0.00 C ATOM 385 C HIS B 5 0.552 8.957 -3.617 1.00 0.00 C ATOM 386 O HIS B 5 0.390 9.432 -4.724 1.00 0.00 O ATOM 387 CB HIS B 5 -0.346 10.991 -2.474 1.00 0.00 C ATOM 388 CG HIS B 5 0.005 12.050 -1.468 1.00 0.00 C ATOM 389 ND1 HIS B 5 -0.689 12.174 -0.282 1.00 0.00 N ATOM 390 CD2 HIS B 5 0.972 13.017 -1.479 1.00 0.00 C ATOM 391 CE1 HIS B 5 -0.131 13.196 0.383 1.00 0.00 C ATOM 392 NE2 HIS B 5 0.889 13.743 -0.310 1.00 0.00 N ATOM 0 H HIS B 5 2.180 11.292 -2.774 1.00 0.00 H new ATOM 0 HA HIS B 5 0.448 9.255 -1.485 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -0.338 11.412 -3.479 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.354 10.620 -2.291 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -1.473 11.600 0.028 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.684 13.184 -2.273 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.458 13.539 1.354 1.00 0.00 H new ATOM 400 N LEU B 6 0.658 7.671 -3.439 1.00 0.00 N ATOM 401 CA LEU B 6 0.583 6.739 -4.609 1.00 0.00 C ATOM 402 C LEU B 6 -0.831 6.153 -4.766 1.00 0.00 C ATOM 403 O LEU B 6 -1.122 5.493 -5.744 1.00 0.00 O ATOM 404 CB LEU B 6 1.580 5.584 -4.431 1.00 0.00 C ATOM 405 CG LEU B 6 1.981 5.436 -2.960 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.749 5.071 -2.128 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.030 4.333 -2.828 1.00 0.00 C ATOM 0 H LEU B 6 0.794 7.220 -2.534 1.00 0.00 H new ATOM 0 HA LEU B 6 0.830 7.313 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.135 4.655 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.467 5.766 -5.038 1.00 0.00 H new ATOM 0 HG LEU B 6 2.395 6.378 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.035 4.966 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.000 5.857 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.333 4.129 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.316 4.227 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.615 3.392 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.908 4.593 -3.420 1.00 0.00 H new ATOM 419 N CYS B 7 -1.711 6.384 -3.829 1.00 0.00 N ATOM 420 CA CYS B 7 -3.092 5.834 -3.947 1.00 0.00 C ATOM 421 C CYS B 7 -3.050 4.360 -4.360 1.00 0.00 C ATOM 422 O CYS B 7 -2.001 3.765 -4.482 1.00 0.00 O ATOM 423 CB CYS B 7 -3.873 6.639 -4.983 1.00 0.00 C ATOM 424 SG CYS B 7 -5.240 7.495 -4.161 1.00 0.00 S ATOM 0 H CYS B 7 -1.533 6.930 -2.986 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.585 5.908 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.217 7.360 -5.471 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.256 5.979 -5.761 1.00 0.00 H new ATOM 429 N GLY B 8 -4.197 3.765 -4.546 1.00 0.00 N ATOM 430 CA GLY B 8 -4.252 2.324 -4.924 1.00 0.00 C ATOM 431 C GLY B 8 -3.315 2.031 -6.098 1.00 0.00 C ATOM 432 O GLY B 8 -2.205 1.593 -5.906 1.00 0.00 O ATOM 0 H GLY B 8 -5.105 4.219 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.973 1.709 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.273 2.053 -5.192 1.00 0.00 H new ATOM 436 N SER B 9 -3.784 2.253 -7.303 1.00 0.00 N ATOM 437 CA SER B 9 -2.980 1.982 -8.542 1.00 0.00 C ATOM 438 C SER B 9 -1.488 1.809 -8.238 1.00 0.00 C ATOM 439 O SER B 9 -0.898 0.788 -8.536 1.00 0.00 O ATOM 440 CB SER B 9 -3.157 3.147 -9.516 1.00 0.00 C ATOM 441 OG SER B 9 -2.419 2.884 -10.702 1.00 0.00 O ATOM 0 H SER B 9 -4.717 2.621 -7.486 1.00 0.00 H new ATOM 0 HA SER B 9 -3.342 1.050 -8.976 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.212 3.281 -9.753 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.813 4.074 -9.058 1.00 0.00 H new ATOM 0 HG SER B 9 -2.532 3.628 -11.329 1.00 0.00 H new ATOM 447 N ASP B 10 -0.870 2.797 -7.661 1.00 0.00 N ATOM 448 CA ASP B 10 0.585 2.682 -7.361 1.00 0.00 C ATOM 449 C ASP B 10 0.808 1.897 -6.064 1.00 0.00 C ATOM 450 O ASP B 10 1.655 1.027 -5.992 1.00 0.00 O ATOM 451 CB ASP B 10 1.180 4.083 -7.214 1.00 0.00 C ATOM 452 CG ASP B 10 1.904 4.470 -8.505 1.00 0.00 C ATOM 453 OD1 ASP B 10 2.820 3.760 -8.883 1.00 0.00 O ATOM 454 OD2 ASP B 10 1.529 5.472 -9.093 1.00 0.00 O ATOM 0 H ASP B 10 -1.305 3.677 -7.384 1.00 0.00 H new ATOM 0 HA ASP B 10 1.073 2.151 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.391 4.803 -6.997 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.874 4.108 -6.374 1.00 0.00 H new ATOM 459 N LEU B 11 0.070 2.207 -5.036 1.00 0.00 N ATOM 460 CA LEU B 11 0.258 1.492 -3.743 1.00 0.00 C ATOM 461 C LEU B 11 -0.283 0.063 -3.844 1.00 0.00 C ATOM 462 O LEU B 11 -0.101 -0.746 -2.954 1.00 0.00 O ATOM 463 CB LEU B 11 -0.446 2.284 -2.625 1.00 0.00 C ATOM 464 CG LEU B 11 -1.849 1.733 -2.344 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.790 0.773 -1.157 1.00 0.00 C ATOM 466 CD2 LEU B 11 -2.786 2.895 -2.002 1.00 0.00 C ATOM 0 H LEU B 11 -0.655 2.924 -5.035 1.00 0.00 H new ATOM 0 HA LEU B 11 1.320 1.423 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.152 2.241 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.517 3.334 -2.910 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.217 1.205 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.787 0.381 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.116 -0.051 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.425 1.304 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.786 2.509 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.414 3.415 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.827 3.589 -2.842 1.00 0.00 H new ATOM 478 N VAL B 12 -0.920 -0.263 -4.928 1.00 0.00 N ATOM 479 CA VAL B 12 -1.443 -1.641 -5.090 1.00 0.00 C ATOM 480 C VAL B 12 -0.435 -2.432 -5.918 1.00 0.00 C ATOM 481 O VAL B 12 -0.340 -3.639 -5.821 1.00 0.00 O ATOM 482 CB VAL B 12 -2.790 -1.603 -5.805 1.00 0.00 C ATOM 483 CG1 VAL B 12 -3.732 -0.651 -5.068 1.00 0.00 C ATOM 484 CG2 VAL B 12 -2.583 -1.102 -7.229 1.00 0.00 C ATOM 0 H VAL B 12 -1.101 0.366 -5.710 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.584 -2.111 -4.117 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.224 -2.603 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.695 -0.624 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.874 -0.999 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.300 0.350 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.542 -1.072 -7.747 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.153 -0.101 -7.204 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.906 -1.774 -7.757 1.00 0.00 H new ATOM 494 N GLU B 13 0.348 -1.746 -6.709 1.00 0.00 N ATOM 495 CA GLU B 13 1.378 -2.438 -7.514 1.00 0.00 C ATOM 496 C GLU B 13 2.455 -2.908 -6.544 1.00 0.00 C ATOM 497 O GLU B 13 3.007 -3.985 -6.668 1.00 0.00 O ATOM 498 CB GLU B 13 1.970 -1.458 -8.526 1.00 0.00 C ATOM 499 CG GLU B 13 1.129 -1.473 -9.804 1.00 0.00 C ATOM 500 CD GLU B 13 1.732 -2.461 -10.803 1.00 0.00 C ATOM 501 OE1 GLU B 13 2.262 -3.469 -10.364 1.00 0.00 O ATOM 502 OE2 GLU B 13 1.655 -2.194 -11.991 1.00 0.00 O ATOM 0 H GLU B 13 0.313 -0.734 -6.827 1.00 0.00 H new ATOM 0 HA GLU B 13 0.958 -3.282 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.992 -0.453 -8.105 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.000 -1.731 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.102 -1.756 -9.572 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.094 -0.475 -10.240 1.00 0.00 H new ATOM 509 N ALA B 14 2.721 -2.108 -5.547 1.00 0.00 N ATOM 510 CA ALA B 14 3.722 -2.498 -4.524 1.00 0.00 C ATOM 511 C ALA B 14 3.085 -3.564 -3.642 1.00 0.00 C ATOM 512 O ALA B 14 3.726 -4.496 -3.201 1.00 0.00 O ATOM 513 CB ALA B 14 4.077 -1.280 -3.677 1.00 0.00 C ATOM 0 H ALA B 14 2.284 -1.198 -5.400 1.00 0.00 H new ATOM 0 HA ALA B 14 4.629 -2.879 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.813 -1.562 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.493 -0.501 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.180 -0.905 -3.185 1.00 0.00 H new ATOM 519 N LEU B 15 1.807 -3.438 -3.408 1.00 0.00 N ATOM 520 CA LEU B 15 1.089 -4.438 -2.586 1.00 0.00 C ATOM 521 C LEU B 15 1.371 -5.826 -3.160 1.00 0.00 C ATOM 522 O LEU B 15 1.360 -6.818 -2.461 1.00 0.00 O ATOM 523 CB LEU B 15 -0.411 -4.136 -2.682 1.00 0.00 C ATOM 524 CG LEU B 15 -0.891 -3.236 -1.528 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.571 -4.096 -0.466 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.280 -2.477 -0.887 1.00 0.00 C ATOM 0 H LEU B 15 1.228 -2.674 -3.758 1.00 0.00 H new ATOM 0 HA LEU B 15 1.412 -4.401 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.623 -3.649 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.971 -5.071 -2.670 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.592 -2.507 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.912 -3.462 0.352 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.425 -4.610 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.862 -4.831 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.092 -1.851 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.003 -3.190 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.762 -1.850 -1.637 1.00 0.00 H new ATOM 538 N TYR B 16 1.631 -5.895 -4.435 1.00 0.00 N ATOM 539 CA TYR B 16 1.923 -7.207 -5.070 1.00 0.00 C ATOM 540 C TYR B 16 3.394 -7.557 -4.844 1.00 0.00 C ATOM 541 O TYR B 16 3.720 -8.493 -4.141 1.00 0.00 O ATOM 542 CB TYR B 16 1.641 -7.114 -6.574 1.00 0.00 C ATOM 543 CG TYR B 16 2.291 -8.276 -7.291 1.00 0.00 C ATOM 544 CD1 TYR B 16 1.933 -9.589 -6.961 1.00 0.00 C ATOM 545 CD2 TYR B 16 3.253 -8.038 -8.283 1.00 0.00 C ATOM 546 CE1 TYR B 16 2.535 -10.667 -7.624 1.00 0.00 C ATOM 547 CE2 TYR B 16 3.855 -9.116 -8.946 1.00 0.00 C ATOM 548 CZ TYR B 16 3.495 -10.431 -8.616 1.00 0.00 C ATOM 549 OH TYR B 16 4.090 -11.492 -9.268 1.00 0.00 O ATOM 0 H TYR B 16 1.654 -5.094 -5.067 1.00 0.00 H new ATOM 0 HA TYR B 16 1.293 -7.980 -4.630 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.566 -7.120 -6.753 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.024 -6.172 -6.967 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.193 -9.771 -6.196 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.530 -7.025 -8.536 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.259 -11.680 -7.370 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.596 -8.934 -9.711 1.00 0.00 H new ATOM 0 HH TYR B 16 4.732 -11.153 -9.927 1.00 0.00 H new ATOM 559 N LEU B 17 4.285 -6.815 -5.442 1.00 0.00 N ATOM 560 CA LEU B 17 5.726 -7.101 -5.276 1.00 0.00 C ATOM 561 C LEU B 17 6.129 -6.971 -3.800 1.00 0.00 C ATOM 562 O LEU B 17 7.213 -7.358 -3.410 1.00 0.00 O ATOM 563 CB LEU B 17 6.522 -6.121 -6.142 1.00 0.00 C ATOM 564 CG LEU B 17 6.685 -4.790 -5.410 1.00 0.00 C ATOM 565 CD1 LEU B 17 8.127 -4.651 -4.917 1.00 0.00 C ATOM 566 CD2 LEU B 17 6.358 -3.639 -6.362 1.00 0.00 C ATOM 0 H LEU B 17 4.069 -6.019 -6.041 1.00 0.00 H new ATOM 0 HA LEU B 17 5.940 -8.122 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.501 -6.540 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.010 -5.963 -7.091 1.00 0.00 H new ATOM 0 HG LEU B 17 6.006 -4.760 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.243 -3.701 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.359 -5.470 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.807 -4.682 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.475 -2.690 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.036 -3.669 -7.215 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.330 -3.737 -6.712 1.00 0.00 H new ATOM 578 N VAL B 18 5.269 -6.434 -2.975 1.00 0.00 N ATOM 579 CA VAL B 18 5.615 -6.288 -1.529 1.00 0.00 C ATOM 580 C VAL B 18 5.185 -7.546 -0.768 1.00 0.00 C ATOM 581 O VAL B 18 5.993 -8.235 -0.175 1.00 0.00 O ATOM 582 CB VAL B 18 4.880 -5.084 -0.934 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.014 -5.117 0.587 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.483 -3.779 -1.458 1.00 0.00 C ATOM 0 H VAL B 18 4.345 -6.091 -3.238 1.00 0.00 H new ATOM 0 HA VAL B 18 6.692 -6.144 -1.440 1.00 0.00 H new ATOM 0 HB VAL B 18 3.830 -5.133 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.492 -4.262 1.017 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.577 -6.039 0.971 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.068 -5.074 0.860 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.950 -2.932 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.535 -3.726 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.394 -3.748 -2.544 1.00 0.00 H new ATOM 594 N CYS B 19 3.912 -7.839 -0.769 1.00 0.00 N ATOM 595 CA CYS B 19 3.413 -9.036 -0.034 1.00 0.00 C ATOM 596 C CYS B 19 3.981 -10.310 -0.662 1.00 0.00 C ATOM 597 O CYS B 19 3.833 -11.392 -0.130 1.00 0.00 O ATOM 598 CB CYS B 19 1.885 -9.068 -0.098 1.00 0.00 C ATOM 599 SG CYS B 19 1.238 -7.406 0.205 1.00 0.00 S ATOM 0 H CYS B 19 3.193 -7.298 -1.250 1.00 0.00 H new ATOM 0 HA CYS B 19 3.735 -8.980 1.006 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.558 -9.425 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.493 -9.764 0.644 1.00 0.00 H new ATOM 604 N GLY B 20 4.635 -10.194 -1.784 1.00 0.00 N ATOM 605 CA GLY B 20 5.214 -11.403 -2.431 1.00 0.00 C ATOM 606 C GLY B 20 6.450 -11.862 -1.648 1.00 0.00 C ATOM 607 O GLY B 20 7.083 -12.834 -1.999 1.00 0.00 O ATOM 0 H GLY B 20 4.793 -9.317 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.473 -12.202 -2.462 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.486 -11.181 -3.463 1.00 0.00 H new ATOM 611 N GLU B 21 6.791 -11.165 -0.593 1.00 0.00 N ATOM 612 CA GLU B 21 7.979 -11.545 0.224 1.00 0.00 C ATOM 613 C GLU B 21 9.247 -11.001 -0.436 1.00 0.00 C ATOM 614 O GLU B 21 10.326 -11.542 -0.297 1.00 0.00 O ATOM 615 CB GLU B 21 8.038 -13.070 0.376 1.00 0.00 C ATOM 616 CG GLU B 21 9.021 -13.707 -0.619 1.00 0.00 C ATOM 617 CD GLU B 21 8.507 -15.088 -1.029 1.00 0.00 C ATOM 618 OE1 GLU B 21 7.571 -15.143 -1.809 1.00 0.00 O ATOM 619 OE2 GLU B 21 9.059 -16.069 -0.556 1.00 0.00 O ATOM 0 H GLU B 21 6.290 -10.341 -0.261 1.00 0.00 H new ATOM 0 HA GLU B 21 7.899 -11.111 1.220 1.00 0.00 H new ATOM 0 HB2 GLU B 21 8.337 -13.322 1.393 1.00 0.00 H new ATOM 0 HB3 GLU B 21 7.043 -13.489 0.223 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.129 -13.071 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.009 -13.794 -0.166 1.00 0.00 H new ATOM 626 N ARG B 22 9.114 -9.925 -1.147 1.00 0.00 N ATOM 627 CA ARG B 22 10.296 -9.320 -1.826 1.00 0.00 C ATOM 628 C ARG B 22 10.713 -8.045 -1.097 1.00 0.00 C ATOM 629 O ARG B 22 11.883 -7.760 -0.937 1.00 0.00 O ATOM 630 CB ARG B 22 9.940 -8.987 -3.275 1.00 0.00 C ATOM 631 CG ARG B 22 9.661 -10.280 -4.044 1.00 0.00 C ATOM 632 CD ARG B 22 8.947 -9.950 -5.355 1.00 0.00 C ATOM 633 NE ARG B 22 8.294 -11.179 -5.888 1.00 0.00 N ATOM 634 CZ ARG B 22 8.249 -11.387 -7.175 1.00 0.00 C ATOM 635 NH1 ARG B 22 9.328 -11.742 -7.817 1.00 0.00 N ATOM 636 NH2 ARG B 22 7.123 -11.243 -7.820 1.00 0.00 N ATOM 0 H ARG B 22 8.233 -9.431 -1.291 1.00 0.00 H new ATOM 0 HA ARG B 22 11.122 -10.031 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.065 -8.338 -3.305 1.00 0.00 H new ATOM 0 HB3 ARG B 22 10.758 -8.441 -3.745 1.00 0.00 H new ATOM 0 HG2 ARG B 22 10.595 -10.803 -4.248 1.00 0.00 H new ATOM 0 HG3 ARG B 22 9.046 -10.949 -3.441 1.00 0.00 H new ATOM 0 HD2 ARG B 22 8.202 -9.172 -5.190 1.00 0.00 H new ATOM 0 HD3 ARG B 22 9.660 -9.560 -6.081 1.00 0.00 H new ATOM 0 HE ARG B 22 7.882 -11.857 -5.247 1.00 0.00 H new ATOM 0 HH11 ARG B 22 10.207 -11.857 -7.313 1.00 0.00 H new ATOM 0 HH12 ARG B 22 9.292 -11.905 -8.823 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.279 -10.968 -7.318 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.087 -11.406 -8.826 1.00 0.00 H new ATOM 650 N GLY B 23 9.763 -7.276 -0.656 1.00 0.00 N ATOM 651 CA GLY B 23 10.095 -6.014 0.065 1.00 0.00 C ATOM 652 C GLY B 23 10.549 -4.954 -0.941 1.00 0.00 C ATOM 653 O GLY B 23 11.691 -4.924 -1.353 1.00 0.00 O ATOM 0 H GLY B 23 8.766 -7.465 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY B 23 9.225 -5.658 0.616 1.00 0.00 H new ATOM 0 HA3 GLY B 23 10.882 -6.197 0.796 1.00 0.00 H new HETATM 657 N DAL B 24 9.663 -4.083 -1.338 1.00 0.00 N HETATM 658 CA DAL B 24 10.042 -3.024 -2.316 1.00 0.00 C HETATM 659 CB DAL B 24 10.916 -1.978 -1.622 1.00 0.00 C HETATM 660 C DAL B 24 8.776 -2.356 -2.857 1.00 0.00 C HETATM 661 O DAL B 24 7.714 -2.943 -2.872 1.00 0.00 O HETATM 0 HB3 DAL B 24 10.361 -1.529 -0.798 1.00 0.00 H new HETATM 0 HB2 DAL B 24 11.817 -2.455 -1.236 1.00 0.00 H new HETATM 0 HB1 DAL B 24 11.193 -1.203 -2.337 1.00 0.00 H new HETATM 0 HA DAL B 24 10.598 -3.471 -3.140 1.00 0.00 H new ATOM 667 N PHE B 25 8.878 -1.132 -3.301 1.00 0.00 N ATOM 668 CA PHE B 25 7.675 -0.436 -3.837 1.00 0.00 C ATOM 669 C PHE B 25 7.909 -0.060 -5.301 1.00 0.00 C ATOM 670 O PHE B 25 6.982 0.206 -6.038 1.00 0.00 O ATOM 671 CB PHE B 25 7.405 0.828 -3.017 1.00 0.00 C ATOM 672 CG PHE B 25 5.892 0.908 -2.703 1.00 0.00 C ATOM 673 CD1 PHE B 25 5.358 0.289 -1.544 1.00 0.00 C ATOM 674 CD2 PHE B 25 5.005 1.589 -3.574 1.00 0.00 C ATOM 675 CE1 PHE B 25 3.985 0.360 -1.272 1.00 0.00 C ATOM 676 CE2 PHE B 25 3.634 1.646 -3.286 1.00 0.00 C ATOM 677 CZ PHE B 25 3.129 1.035 -2.137 1.00 0.00 C ATOM 0 H PHE B 25 9.740 -0.586 -3.315 1.00 0.00 H new ATOM 0 HA PHE B 25 6.813 -1.100 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE B 25 7.981 0.808 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE B 25 7.722 1.712 -3.571 1.00 0.00 H new ATOM 0 HD1 PHE B 25 6.013 -0.240 -0.867 1.00 0.00 H new ATOM 0 HD2 PHE B 25 5.387 2.066 -4.464 1.00 0.00 H new ATOM 0 HE1 PHE B 25 3.589 -0.112 -0.385 1.00 0.00 H new ATOM 0 HE2 PHE B 25 2.965 2.165 -3.957 1.00 0.00 H new ATOM 0 HZ PHE B 25 2.072 1.086 -1.919 1.00 0.00 H new ATOM 687 N TYR B 26 9.142 -0.038 -5.727 1.00 0.00 N ATOM 688 CA TYR B 26 9.441 0.319 -7.145 1.00 0.00 C ATOM 689 C TYR B 26 8.575 1.509 -7.566 1.00 0.00 C ATOM 690 O TYR B 26 7.541 1.347 -8.182 1.00 0.00 O ATOM 691 CB TYR B 26 9.135 -0.880 -8.047 1.00 0.00 C ATOM 692 CG TYR B 26 9.156 -0.442 -9.493 1.00 0.00 C ATOM 693 CD1 TYR B 26 10.310 0.142 -10.033 1.00 0.00 C ATOM 694 CD2 TYR B 26 8.020 -0.620 -10.295 1.00 0.00 C ATOM 695 CE1 TYR B 26 10.327 0.549 -11.374 1.00 0.00 C ATOM 696 CE2 TYR B 26 8.038 -0.212 -11.635 1.00 0.00 C ATOM 697 CZ TYR B 26 9.191 0.372 -12.175 1.00 0.00 C ATOM 698 OH TYR B 26 9.209 0.774 -13.494 1.00 0.00 O ATOM 0 H TYR B 26 9.958 -0.252 -5.154 1.00 0.00 H new ATOM 0 HA TYR B 26 10.494 0.586 -7.239 1.00 0.00 H new ATOM 0 HB2 TYR B 26 9.870 -1.668 -7.884 1.00 0.00 H new ATOM 0 HB3 TYR B 26 8.160 -1.297 -7.797 1.00 0.00 H new ATOM 0 HD1 TYR B 26 11.186 0.278 -9.416 1.00 0.00 H new ATOM 0 HD2 TYR B 26 7.131 -1.072 -9.880 1.00 0.00 H new ATOM 0 HE1 TYR B 26 11.216 0.999 -11.790 1.00 0.00 H new ATOM 0 HE2 TYR B 26 7.162 -0.348 -12.252 1.00 0.00 H new ATOM 0 HH TYR B 26 8.342 0.578 -13.907 1.00 0.00 H new ATOM 708 N THR B 27 8.987 2.703 -7.240 1.00 0.00 N ATOM 709 CA THR B 27 8.184 3.899 -7.623 1.00 0.00 C ATOM 710 C THR B 27 8.805 4.558 -8.856 1.00 0.00 C ATOM 711 O THR B 27 8.111 5.048 -9.725 1.00 0.00 O ATOM 712 CB THR B 27 8.169 4.896 -6.463 1.00 0.00 C ATOM 713 OG1 THR B 27 8.907 4.363 -5.373 1.00 0.00 O ATOM 714 CG2 THR B 27 6.726 5.153 -6.027 1.00 0.00 C ATOM 0 H THR B 27 9.845 2.902 -6.725 1.00 0.00 H new ATOM 0 HA THR B 27 7.163 3.593 -7.852 1.00 0.00 H new ATOM 0 HB THR B 27 8.621 5.834 -6.784 1.00 0.00 H new ATOM 0 HG1 THR B 27 9.746 4.859 -5.273 1.00 0.00 H new ATOM 0 HG21 THR B 27 6.717 5.863 -5.200 1.00 0.00 H new ATOM 0 HG22 THR B 27 6.160 5.563 -6.864 1.00 0.00 H new ATOM 0 HG23 THR B 27 6.271 4.216 -5.705 1.00 0.00 H new ATOM 722 N LYS B 28 10.107 4.578 -8.939 1.00 0.00 N ATOM 723 CA LYS B 28 10.767 5.210 -10.117 1.00 0.00 C ATOM 724 C LYS B 28 11.962 4.354 -10.552 1.00 0.00 C ATOM 725 O LYS B 28 12.615 3.742 -9.731 1.00 0.00 O ATOM 726 CB LYS B 28 11.252 6.611 -9.735 1.00 0.00 C ATOM 727 CG LYS B 28 10.068 7.579 -9.739 1.00 0.00 C ATOM 728 CD LYS B 28 10.584 9.019 -9.727 1.00 0.00 C ATOM 729 CE LYS B 28 9.479 9.962 -10.207 1.00 0.00 C ATOM 730 NZ LYS B 28 9.120 9.631 -11.615 1.00 0.00 N ATOM 0 H LYS B 28 10.742 4.185 -8.244 1.00 0.00 H new ATOM 0 HA LYS B 28 10.056 5.283 -10.940 1.00 0.00 H new ATOM 0 HB2 LYS B 28 11.716 6.591 -8.749 1.00 0.00 H new ATOM 0 HB3 LYS B 28 12.014 6.948 -10.438 1.00 0.00 H new ATOM 0 HG2 LYS B 28 9.450 7.411 -10.621 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.436 7.401 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS B 28 10.900 9.295 -8.721 1.00 0.00 H new ATOM 0 HD3 LYS B 28 11.458 9.108 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS B 28 8.603 9.869 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS B 28 9.815 10.997 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.797 10.491 -12.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.953 9.247 -12.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 8.358 8.923 -11.622 1.00 0.00 H new ATOM 744 N PRO B 29 12.209 4.340 -11.839 1.00 0.00 N ATOM 745 CA PRO B 29 13.319 3.568 -12.423 1.00 0.00 C ATOM 746 C PRO B 29 14.648 4.298 -12.212 1.00 0.00 C ATOM 747 O PRO B 29 14.765 5.481 -12.461 1.00 0.00 O ATOM 748 CB PRO B 29 12.965 3.502 -13.912 1.00 0.00 C ATOM 749 CG PRO B 29 12.009 4.687 -14.185 1.00 0.00 C ATOM 750 CD PRO B 29 11.406 5.089 -12.827 1.00 0.00 C ATOM 0 HA PRO B 29 13.439 2.583 -11.973 1.00 0.00 H new ATOM 0 HB2 PRO B 29 13.861 3.576 -14.528 1.00 0.00 H new ATOM 0 HB3 PRO B 29 12.487 2.553 -14.156 1.00 0.00 H new ATOM 0 HG2 PRO B 29 12.546 5.523 -14.633 1.00 0.00 H new ATOM 0 HG3 PRO B 29 11.226 4.399 -14.886 1.00 0.00 H new ATOM 0 HD2 PRO B 29 11.475 6.164 -12.663 1.00 0.00 H new ATOM 0 HD3 PRO B 29 10.350 4.824 -12.766 1.00 0.00 H new ATOM 758 N THR B 30 15.651 3.601 -11.752 1.00 0.00 N ATOM 759 CA THR B 30 16.969 4.254 -11.525 1.00 0.00 C ATOM 760 C THR B 30 18.089 3.323 -11.995 1.00 0.00 C ATOM 761 O THR B 30 18.371 3.320 -13.182 1.00 0.00 O ATOM 762 CB THR B 30 17.142 4.549 -10.033 1.00 0.00 C ATOM 763 OG1 THR B 30 16.499 3.534 -9.275 1.00 0.00 O ATOM 764 CG2 THR B 30 16.519 5.907 -9.704 1.00 0.00 C ATOM 765 OXT THR B 30 18.643 2.627 -11.160 1.00 0.00 O ATOM 0 H THR B 30 15.614 2.608 -11.524 1.00 0.00 H new ATOM 0 HA THR B 30 17.013 5.187 -12.087 1.00 0.00 H new ATOM 0 HB THR B 30 18.203 4.570 -9.786 1.00 0.00 H new ATOM 0 HG1 THR B 30 16.610 3.720 -8.319 1.00 0.00 H new ATOM 0 HG21 THR B 30 16.643 6.116 -8.641 1.00 0.00 H new ATOM 0 HG22 THR B 30 17.013 6.685 -10.287 1.00 0.00 H new ATOM 0 HG23 THR B 30 15.457 5.889 -9.949 1.00 0.00 H new TER 773 THR B 30