USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 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 46 23F H2 : B 46 23F N : B 45 PHE C :(H bumps) USER MOD NoAdj-H: B 46 23F H : B 46 23F N : B 45 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.0813 USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= 0.0865 F(o=-0.35,f=0.17) USER MOD Set 2.1: A 5 GLN : amide:sc= -3.26! C(o=-3.3!,f=-5.4!) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 174:sc= -0.499 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.095) USER MOD Single : A 21 ASN : amide:sc= -1.71! C(o=-1.7!,f=-3.1!) USER MOD Single : B 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 GLN :FLIP amide:sc= -0.0173 F(o=-1.3,f=-0.017) USER MOD Single : B 26 HIS : no HE2:sc= 0.928 K(o=0.93,f=-3.5!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 30:sc= -0.429 USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -104:sc= -3.02! (180deg=-5.5!) USER MOD Single : B 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.744 20.123 -11.465 1.00 0.00 N ATOM 2 CA GLY A 1 0.606 20.178 -12.185 1.00 0.00 C ATOM 3 C GLY A 1 1.651 19.159 -11.880 1.00 0.00 C ATOM 4 O GLY A 1 2.425 18.777 -12.735 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.347 20.903 -11.797 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.209 19.215 -11.668 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.595 20.213 -10.440 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.406 20.128 -13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.040 21.158 -11.987 1.00 0.00 H new ATOM 10 N ILE A 2 1.706 18.694 -10.661 1.00 0.00 N ATOM 11 CA ILE A 2 2.731 17.676 -10.297 1.00 0.00 C ATOM 12 C ILE A 2 2.455 16.376 -11.061 1.00 0.00 C ATOM 13 O ILE A 2 3.351 15.619 -11.360 1.00 0.00 O ATOM 14 CB ILE A 2 2.679 17.428 -8.777 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.650 16.288 -8.395 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.243 17.079 -8.348 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.629 16.057 -6.889 1.00 0.00 C ATOM 0 H ILE A 2 1.085 18.976 -9.902 1.00 0.00 H new ATOM 0 HA ILE A 2 3.725 18.035 -10.565 1.00 0.00 H new ATOM 0 HB ILE A 2 2.985 18.336 -8.257 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.368 15.372 -8.914 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.661 16.539 -8.717 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.217 16.906 -7.272 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.577 17.905 -8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.916 16.179 -8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.318 15.251 -6.635 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.933 16.970 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.621 15.785 -6.577 1.00 0.00 H new ATOM 29 N VAL A 3 1.222 16.105 -11.369 1.00 0.00 N ATOM 30 CA VAL A 3 0.890 14.849 -12.093 1.00 0.00 C ATOM 31 C VAL A 3 1.608 14.795 -13.449 1.00 0.00 C ATOM 32 O VAL A 3 2.235 13.815 -13.786 1.00 0.00 O ATOM 33 CB VAL A 3 -0.623 14.796 -12.294 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.004 13.531 -13.058 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.303 14.783 -10.923 1.00 0.00 C ATOM 0 H VAL A 3 0.424 16.702 -11.150 1.00 0.00 H new ATOM 0 HA VAL A 3 1.222 13.991 -11.508 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.945 15.667 -12.865 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.085 13.501 -13.197 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.513 13.532 -14.031 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.687 12.655 -12.492 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.384 14.745 -11.054 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.974 13.908 -10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.035 15.687 -10.375 1.00 0.00 H new ATOM 45 N GLU A 4 1.513 15.825 -14.236 1.00 0.00 N ATOM 46 CA GLU A 4 2.181 15.802 -15.573 1.00 0.00 C ATOM 47 C GLU A 4 3.654 15.402 -15.445 1.00 0.00 C ATOM 48 O GLU A 4 4.091 14.417 -16.002 1.00 0.00 O ATOM 49 CB GLU A 4 2.106 17.203 -16.196 1.00 0.00 C ATOM 50 CG GLU A 4 3.001 17.280 -17.449 1.00 0.00 C ATOM 51 CD GLU A 4 2.506 18.394 -18.377 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.481 19.533 -17.943 1.00 0.00 O ATOM 53 OE2 GLU A 4 2.161 18.087 -19.507 1.00 0.00 O ATOM 0 H GLU A 4 1.005 16.682 -14.017 1.00 0.00 H new ATOM 0 HA GLU A 4 1.670 15.071 -16.200 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.075 17.435 -16.462 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.423 17.950 -15.468 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.034 17.470 -17.157 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.989 16.325 -17.974 1.00 0.00 H new ATOM 60 N GLN A 5 4.433 16.179 -14.757 1.00 0.00 N ATOM 61 CA GLN A 5 5.883 15.864 -14.654 1.00 0.00 C ATOM 62 C GLN A 5 6.127 14.498 -13.994 1.00 0.00 C ATOM 63 O GLN A 5 7.017 13.773 -14.383 1.00 0.00 O ATOM 64 CB GLN A 5 6.588 16.948 -13.831 1.00 0.00 C ATOM 65 CG GLN A 5 6.501 18.302 -14.551 1.00 0.00 C ATOM 66 CD GLN A 5 5.139 18.944 -14.285 0.50 0.00 C ATOM 67 OE1 GLN A 5 4.395 19.226 -15.202 0.50 0.00 O ATOM 68 NE2 GLN A 5 4.786 19.190 -13.057 0.50 0.00 N ATOM 0 H GLN A 5 4.132 17.018 -14.261 1.00 0.00 H new ATOM 0 HA GLN A 5 6.285 15.830 -15.667 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.129 17.022 -12.845 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.632 16.676 -13.677 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.297 18.960 -14.204 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.645 18.164 -15.623 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.413 18.952 -12.289 0.50 0.00 H new ATOM 0 HE22 GLN A 5 3.882 19.621 -12.863 0.50 0.00 H new ATOM 77 N CYS A 6 5.384 14.164 -12.975 1.00 0.00 N ATOM 78 CA CYS A 6 5.611 12.864 -12.260 1.00 0.00 C ATOM 79 C CYS A 6 4.854 11.701 -12.918 1.00 0.00 C ATOM 80 O CYS A 6 5.386 10.622 -13.087 1.00 0.00 O ATOM 81 CB CYS A 6 5.137 13.038 -10.818 1.00 0.00 C ATOM 82 SG CYS A 6 5.585 14.696 -10.275 1.00 0.00 S ATOM 0 H CYS A 6 4.625 14.734 -12.601 1.00 0.00 H new ATOM 0 HA CYS A 6 6.672 12.616 -12.303 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.058 12.895 -10.752 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.598 12.289 -10.173 1.00 0.00 H new ATOM 87 N CYS A 7 3.609 11.887 -13.247 1.00 0.00 N ATOM 88 CA CYS A 7 2.824 10.769 -13.852 1.00 0.00 C ATOM 89 C CYS A 7 3.083 10.668 -15.361 1.00 0.00 C ATOM 90 O CYS A 7 3.427 9.616 -15.863 1.00 0.00 O ATOM 91 CB CYS A 7 1.337 11.009 -13.589 1.00 0.00 C ATOM 92 SG CYS A 7 0.388 9.554 -14.097 1.00 0.00 S ATOM 0 H CYS A 7 3.098 12.761 -13.125 1.00 0.00 H new ATOM 0 HA CYS A 7 3.136 9.829 -13.397 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.173 11.212 -12.531 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.997 11.887 -14.138 1.00 0.00 H new ATOM 97 N THR A 8 2.926 11.737 -16.092 1.00 0.00 N ATOM 98 CA THR A 8 3.173 11.664 -17.564 1.00 0.00 C ATOM 99 C THR A 8 4.676 11.515 -17.808 1.00 0.00 C ATOM 100 O THR A 8 5.109 10.940 -18.787 1.00 0.00 O ATOM 101 CB THR A 8 2.658 12.940 -18.239 1.00 0.00 C ATOM 102 OG1 THR A 8 1.401 13.293 -17.679 1.00 0.00 O ATOM 103 CG2 THR A 8 2.496 12.701 -19.737 1.00 0.00 C ATOM 0 H THR A 8 2.640 12.651 -15.740 1.00 0.00 H new ATOM 0 HA THR A 8 2.647 10.807 -17.985 1.00 0.00 H new ATOM 0 HB THR A 8 3.372 13.748 -18.078 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.115 14.159 -18.037 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.130 13.611 -20.213 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.459 12.428 -20.168 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.783 11.893 -19.902 1.00 0.00 H new ATOM 111 N SER A 9 5.469 12.025 -16.908 1.00 0.00 N ATOM 112 CA SER A 9 6.954 11.926 -17.035 1.00 0.00 C ATOM 113 C SER A 9 7.511 11.544 -15.669 1.00 0.00 C ATOM 114 O SER A 9 6.785 11.482 -14.704 1.00 0.00 O ATOM 115 CB SER A 9 7.525 13.279 -17.455 1.00 0.00 C ATOM 116 OG SER A 9 7.108 13.578 -18.781 1.00 0.00 O ATOM 0 H SER A 9 5.147 12.516 -16.074 1.00 0.00 H new ATOM 0 HA SER A 9 7.224 11.182 -17.784 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.186 14.057 -16.771 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.613 13.259 -17.400 1.00 0.00 H new ATOM 0 HG SER A 9 7.473 14.447 -19.051 1.00 0.00 H new ATOM 122 N ILE A 10 8.784 11.286 -15.559 1.00 0.00 N ATOM 123 CA ILE A 10 9.339 10.916 -14.221 1.00 0.00 C ATOM 124 C ILE A 10 9.716 12.193 -13.466 1.00 0.00 C ATOM 125 O ILE A 10 10.379 13.067 -13.989 1.00 0.00 O ATOM 126 CB ILE A 10 10.569 10.013 -14.385 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.179 8.790 -15.244 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.053 9.551 -12.998 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.186 7.645 -15.060 1.00 0.00 C ATOM 0 H ILE A 10 9.458 11.314 -16.324 1.00 0.00 H new ATOM 0 HA ILE A 10 8.586 10.367 -13.655 1.00 0.00 H new ATOM 0 HB ILE A 10 11.374 10.561 -14.876 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.181 8.450 -14.967 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.137 9.077 -16.295 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.927 8.909 -13.113 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.318 10.421 -12.397 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.257 8.995 -12.502 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.888 6.796 -15.676 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.178 7.981 -15.361 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.207 7.344 -14.013 1.00 0.00 H new ATOM 141 N CYS A 11 9.288 12.305 -12.237 1.00 0.00 N ATOM 142 CA CYS A 11 9.602 13.520 -11.426 1.00 0.00 C ATOM 143 C CYS A 11 10.848 13.271 -10.581 1.00 0.00 C ATOM 144 O CYS A 11 11.503 12.252 -10.677 1.00 0.00 O ATOM 145 CB CYS A 11 8.422 13.820 -10.484 1.00 0.00 C ATOM 146 SG CYS A 11 7.323 15.040 -11.231 1.00 0.00 S ATOM 0 H CYS A 11 8.729 11.601 -11.755 1.00 0.00 H new ATOM 0 HA CYS A 11 9.774 14.362 -12.097 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.871 12.903 -10.276 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.795 14.192 -9.529 1.00 0.00 H new ATOM 151 N SER A 12 11.144 14.207 -9.727 1.00 0.00 N ATOM 152 CA SER A 12 12.306 14.085 -8.816 1.00 0.00 C ATOM 153 C SER A 12 11.861 14.562 -7.434 1.00 0.00 C ATOM 154 O SER A 12 10.942 15.340 -7.295 1.00 0.00 O ATOM 155 CB SER A 12 13.469 14.952 -9.342 1.00 0.00 C ATOM 156 OG SER A 12 13.177 15.364 -10.670 1.00 0.00 O ATOM 0 H SER A 12 10.614 15.072 -9.622 1.00 0.00 H new ATOM 0 HA SER A 12 12.653 13.053 -8.760 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.610 15.822 -8.701 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.400 14.386 -9.320 1.00 0.00 H new ATOM 0 HG SER A 12 13.911 15.917 -11.010 1.00 0.00 H new ATOM 162 N LEU A 13 12.514 14.105 -6.421 1.00 0.00 N ATOM 163 CA LEU A 13 12.166 14.521 -5.037 1.00 0.00 C ATOM 164 C LEU A 13 11.957 16.027 -5.004 1.00 0.00 C ATOM 165 O LEU A 13 10.903 16.527 -4.680 1.00 0.00 O ATOM 166 CB LEU A 13 13.357 14.170 -4.148 1.00 0.00 C ATOM 167 CG LEU A 13 13.224 14.828 -2.773 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.827 14.566 -2.214 1.00 0.00 C ATOM 169 CD2 LEU A 13 14.260 14.229 -1.833 1.00 0.00 C ATOM 0 H LEU A 13 13.291 13.447 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 13 11.258 14.023 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.424 13.088 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.281 14.498 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 13 13.383 15.902 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.733 15.035 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.081 14.984 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.669 13.492 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.171 14.693 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.093 13.156 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.259 14.409 -2.230 1.00 0.00 H new ATOM 181 N TYR A 14 12.981 16.730 -5.342 1.00 0.00 N ATOM 182 CA TYR A 14 12.933 18.220 -5.357 1.00 0.00 C ATOM 183 C TYR A 14 11.656 18.663 -6.051 1.00 0.00 C ATOM 184 O TYR A 14 10.938 19.520 -5.577 1.00 0.00 O ATOM 185 CB TYR A 14 14.159 18.735 -6.104 1.00 0.00 C ATOM 186 CG TYR A 14 15.322 17.826 -5.784 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.887 17.822 -4.504 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.818 16.979 -6.767 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.957 16.965 -4.216 1.00 0.00 C ATOM 190 CE2 TYR A 14 16.883 16.123 -6.488 1.00 0.00 C ATOM 191 CZ TYR A 14 17.456 16.114 -5.211 1.00 0.00 C ATOM 192 OH TYR A 14 18.510 15.267 -4.932 1.00 0.00 O ATOM 0 H TYR A 14 13.879 16.333 -5.618 1.00 0.00 H new ATOM 0 HA TYR A 14 12.938 18.621 -4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.972 18.749 -7.178 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.384 19.759 -5.806 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.499 18.479 -3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.376 16.983 -7.753 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.396 16.960 -3.229 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.265 15.468 -7.257 1.00 0.00 H new ATOM 0 HH TYR A 14 18.731 14.745 -5.732 1.00 0.00 H new ATOM 202 N GLN A 15 11.352 18.056 -7.156 1.00 0.00 N ATOM 203 CA GLN A 15 10.098 18.419 -7.856 1.00 0.00 C ATOM 204 C GLN A 15 8.944 18.026 -6.948 1.00 0.00 C ATOM 205 O GLN A 15 7.932 18.686 -6.902 1.00 0.00 O ATOM 206 CB GLN A 15 10.000 17.680 -9.192 1.00 0.00 C ATOM 207 CG GLN A 15 10.995 18.280 -10.185 1.00 0.00 C ATOM 208 CD GLN A 15 10.697 17.740 -11.571 1.00 0.00 C ATOM 209 OE1 GLN A 15 9.494 17.857 -12.032 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 11.563 17.210 -12.238 1.00 0.00 N flip ATOM 0 H GLN A 15 11.912 17.330 -7.602 1.00 0.00 H new ATOM 0 HA GLN A 15 10.073 19.488 -8.069 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.209 16.620 -9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.987 17.755 -9.587 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.921 19.368 -10.181 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.015 18.028 -9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.509 17.121 -11.868 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.344 16.854 -13.168 1.00 0.00 H new ATOM 219 N LEU A 16 9.098 16.976 -6.188 1.00 0.00 N ATOM 220 CA LEU A 16 7.994 16.587 -5.263 1.00 0.00 C ATOM 221 C LEU A 16 7.971 17.578 -4.109 1.00 0.00 C ATOM 222 O LEU A 16 6.932 17.913 -3.574 1.00 0.00 O ATOM 223 CB LEU A 16 8.217 15.163 -4.709 1.00 0.00 C ATOM 224 CG LEU A 16 7.289 14.157 -5.397 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.681 14.023 -6.860 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.408 12.797 -4.703 1.00 0.00 C ATOM 0 H LEU A 16 9.925 16.379 -6.166 1.00 0.00 H new ATOM 0 HA LEU A 16 7.048 16.598 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.255 14.868 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.036 15.154 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 16 6.259 14.507 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.021 13.307 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.593 14.992 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.711 13.673 -6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.748 12.080 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.437 12.445 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.123 12.897 -3.656 1.00 0.00 H new ATOM 238 N GLU A 17 9.117 18.028 -3.712 1.00 0.00 N ATOM 239 CA GLU A 17 9.191 18.970 -2.587 1.00 0.00 C ATOM 240 C GLU A 17 8.506 20.277 -2.946 1.00 0.00 C ATOM 241 O GLU A 17 7.867 20.916 -2.134 1.00 0.00 O ATOM 242 CB GLU A 17 10.648 19.268 -2.291 1.00 0.00 C ATOM 243 CG GLU A 17 11.392 17.990 -1.862 1.00 0.00 C ATOM 244 CD GLU A 17 12.567 18.348 -0.945 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.023 19.478 -1.015 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.988 17.488 -0.191 1.00 0.00 O ATOM 0 H GLU A 17 10.015 17.778 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 17 8.699 18.524 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.124 19.692 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.718 20.017 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.708 17.318 -1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.756 17.459 -2.742 1.00 0.00 H new ATOM 253 N ASN A 18 8.665 20.676 -4.158 1.00 0.00 N ATOM 254 CA ASN A 18 8.066 21.954 -4.627 1.00 0.00 C ATOM 255 C ASN A 18 6.594 22.021 -4.226 1.00 0.00 C ATOM 256 O ASN A 18 6.056 23.070 -3.934 1.00 0.00 O ATOM 257 CB ASN A 18 8.170 21.986 -6.165 1.00 0.00 C ATOM 258 CG ASN A 18 9.362 22.842 -6.612 1.00 0.00 C ATOM 259 OD1 ASN A 18 9.446 24.008 -6.280 1.00 0.00 O ATOM 260 ND2 ASN A 18 10.289 22.305 -7.356 1.00 0.00 N ATOM 0 H ASN A 18 9.194 20.167 -4.866 1.00 0.00 H new ATOM 0 HA ASN A 18 8.591 22.799 -4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.281 20.971 -6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.249 22.387 -6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.086 22.864 -7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.217 21.326 -7.634 1.00 0.00 H new ATOM 267 N TYR A 19 5.942 20.913 -4.279 1.00 0.00 N ATOM 268 CA TYR A 19 4.485 20.868 -3.980 1.00 0.00 C ATOM 269 C TYR A 19 4.191 20.658 -2.494 1.00 0.00 C ATOM 270 O TYR A 19 3.048 20.547 -2.114 1.00 0.00 O ATOM 271 CB TYR A 19 3.895 19.722 -4.786 1.00 0.00 C ATOM 272 CG TYR A 19 4.392 19.835 -6.211 1.00 0.00 C ATOM 273 CD1 TYR A 19 4.054 20.948 -6.977 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.196 18.836 -6.756 1.00 0.00 C ATOM 275 CE1 TYR A 19 4.519 21.069 -8.292 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.666 18.951 -8.072 1.00 0.00 C ATOM 277 CZ TYR A 19 5.328 20.070 -8.839 1.00 0.00 C ATOM 278 OH TYR A 19 5.790 20.186 -10.135 1.00 0.00 O ATOM 0 H TYR A 19 6.356 20.013 -4.521 1.00 0.00 H new ATOM 0 HA TYR A 19 4.041 21.827 -4.248 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.190 18.765 -4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.806 19.761 -4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.430 21.722 -6.554 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.458 17.972 -6.164 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.253 21.933 -8.883 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.289 18.176 -8.493 1.00 0.00 H new ATOM 0 HH TYR A 19 6.339 19.406 -10.358 1.00 0.00 H new ATOM 288 N CYS A 20 5.166 20.597 -1.636 1.00 0.00 N ATOM 289 CA CYS A 20 4.818 20.402 -0.202 1.00 0.00 C ATOM 290 C CYS A 20 4.256 21.696 0.376 1.00 0.00 C ATOM 291 O CYS A 20 4.905 22.389 1.134 1.00 0.00 O ATOM 292 CB CYS A 20 6.033 20.009 0.595 1.00 0.00 C ATOM 293 SG CYS A 20 6.761 18.528 -0.118 1.00 0.00 S ATOM 0 H CYS A 20 6.160 20.671 -1.853 1.00 0.00 H new ATOM 0 HA CYS A 20 4.075 19.607 -0.141 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.760 20.821 0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.757 19.828 1.634 1.00 0.00 H new ATOM 298 N ASN A 21 3.051 22.013 0.029 1.00 0.00 N ATOM 299 CA ASN A 21 2.412 23.250 0.554 1.00 0.00 C ATOM 300 C ASN A 21 3.331 24.448 0.309 1.00 0.00 C ATOM 301 O ASN A 21 4.397 24.248 -0.251 1.00 0.00 O ATOM 302 CB ASN A 21 2.164 23.089 2.054 1.00 0.00 C ATOM 303 CG ASN A 21 1.608 24.394 2.627 1.00 0.00 C ATOM 304 OD1 ASN A 21 2.354 25.292 2.961 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.317 24.536 2.754 1.00 0.00 N ATOM 306 OXT ASN A 21 2.954 25.546 0.683 1.00 0.00 O ATOM 0 H ASN A 21 2.469 21.464 -0.604 1.00 0.00 H new ATOM 0 HA ASN A 21 1.464 23.418 0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.462 22.274 2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.093 22.825 2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.066 25.402 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.309 23.781 2.473 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 16.181 9.209 -3.806 1.00 0.00 N ATOM 315 CA PHE B 22 14.723 9.012 -4.042 1.00 0.00 C ATOM 316 C PHE B 22 14.529 7.922 -5.104 1.00 0.00 C ATOM 317 O PHE B 22 15.138 6.873 -5.041 1.00 0.00 O ATOM 318 CB PHE B 22 14.106 10.341 -4.511 1.00 0.00 C ATOM 319 CG PHE B 22 12.631 10.392 -4.156 1.00 0.00 C ATOM 320 CD1 PHE B 22 12.241 10.490 -2.815 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.656 10.341 -5.164 1.00 0.00 C ATOM 322 CE1 PHE B 22 10.883 10.536 -2.480 1.00 0.00 C ATOM 323 CE2 PHE B 22 10.297 10.387 -4.827 1.00 0.00 C ATOM 324 CZ PHE B 22 9.910 10.484 -3.485 1.00 0.00 C ATOM 0 HA PHE B 22 14.229 8.699 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.628 11.177 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.232 10.448 -5.588 1.00 0.00 H new ATOM 0 HD1 PHE B 22 12.990 10.530 -2.038 1.00 0.00 H new ATOM 0 HD2 PHE B 22 11.953 10.266 -6.200 1.00 0.00 H new ATOM 0 HE1 PHE B 22 10.585 10.612 -1.445 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.547 10.348 -5.603 1.00 0.00 H new ATOM 0 HZ PHE B 22 8.862 10.519 -3.226 1.00 0.00 H new ATOM 336 N VAL B 23 13.684 8.152 -6.075 1.00 0.00 N ATOM 337 CA VAL B 23 13.457 7.118 -7.127 1.00 0.00 C ATOM 338 C VAL B 23 13.094 7.790 -8.454 1.00 0.00 C ATOM 339 O VAL B 23 12.756 8.956 -8.505 1.00 0.00 O ATOM 340 CB VAL B 23 12.312 6.212 -6.686 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.117 7.079 -6.319 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.927 5.258 -7.825 1.00 0.00 C ATOM 0 H VAL B 23 13.142 9.009 -6.185 1.00 0.00 H new ATOM 0 HA VAL B 23 14.366 6.533 -7.266 1.00 0.00 H new ATOM 0 HB VAL B 23 12.623 5.621 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.290 6.444 -6.002 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.391 7.751 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.812 7.665 -7.186 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.109 4.615 -7.500 1.00 0.00 H new ATOM 0 HG22 VAL B 23 11.611 5.837 -8.693 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.787 4.644 -8.091 1.00 0.00 H new ATOM 352 N ASN B 24 13.153 7.041 -9.524 1.00 0.00 N ATOM 353 CA ASN B 24 12.808 7.580 -10.875 1.00 0.00 C ATOM 354 C ASN B 24 11.661 6.742 -11.442 1.00 0.00 C ATOM 355 O ASN B 24 11.848 5.952 -12.346 1.00 0.00 O ATOM 356 CB ASN B 24 14.033 7.461 -11.789 1.00 0.00 C ATOM 357 CG ASN B 24 15.007 8.605 -11.498 1.00 0.00 C ATOM 358 OD1 ASN B 24 15.914 8.458 -10.702 1.00 0.00 O ATOM 359 ND2 ASN B 24 14.859 9.746 -12.114 1.00 0.00 N ATOM 0 H ASN B 24 13.431 6.060 -9.519 1.00 0.00 H new ATOM 0 HA ASN B 24 12.511 8.627 -10.808 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.526 6.502 -11.630 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.724 7.491 -12.834 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.504 10.514 -11.927 1.00 0.00 H new ATOM 0 HD22 ASN B 24 14.098 9.870 -12.782 1.00 0.00 H new ATOM 366 N GLN B 25 10.479 6.891 -10.894 1.00 0.00 N ATOM 367 CA GLN B 25 9.302 6.093 -11.364 1.00 0.00 C ATOM 368 C GLN B 25 8.197 7.027 -11.866 1.00 0.00 C ATOM 369 O GLN B 25 8.230 8.225 -11.665 1.00 0.00 O ATOM 370 CB GLN B 25 8.768 5.276 -10.168 1.00 0.00 C ATOM 371 CG GLN B 25 9.457 3.907 -10.111 1.00 0.00 C ATOM 372 CD GLN B 25 8.967 3.137 -8.885 1.00 0.00 C ATOM 373 OE1 GLN B 25 8.459 3.791 -7.877 1.00 0.00 O flip ATOM 374 NE2 GLN B 25 9.046 1.925 -8.843 1.00 0.00 N flip ATOM 0 H GLN B 25 10.277 7.539 -10.132 1.00 0.00 H new ATOM 0 HA GLN B 25 9.604 5.436 -12.179 1.00 0.00 H new ATOM 0 HB2 GLN B 25 8.945 5.819 -9.240 1.00 0.00 H new ATOM 0 HB3 GLN B 25 7.690 5.145 -10.260 1.00 0.00 H new ATOM 0 HG2 GLN B 25 9.241 3.342 -11.018 1.00 0.00 H new ATOM 0 HG3 GLN B 25 10.539 4.035 -10.065 1.00 0.00 H new ATOM 0 HE21 GLN B 25 9.443 1.412 -9.630 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.715 1.421 -8.020 1.00 0.00 H new ATOM 383 N HIS B 26 7.199 6.462 -12.493 1.00 0.00 N ATOM 384 CA HIS B 26 6.051 7.270 -12.991 1.00 0.00 C ATOM 385 C HIS B 26 5.002 7.297 -11.882 1.00 0.00 C ATOM 386 O HIS B 26 4.183 6.407 -11.764 1.00 0.00 O ATOM 387 CB HIS B 26 5.466 6.610 -14.250 1.00 0.00 C ATOM 388 CG HIS B 26 6.223 7.066 -15.469 1.00 0.00 C ATOM 389 ND1 HIS B 26 5.748 8.074 -16.297 1.00 0.00 N ATOM 390 CD2 HIS B 26 7.421 6.667 -16.011 1.00 0.00 C ATOM 391 CE1 HIS B 26 6.646 8.247 -17.283 1.00 0.00 C ATOM 392 NE2 HIS B 26 7.680 7.415 -17.153 1.00 0.00 N ATOM 0 H HIS B 26 7.131 5.462 -12.683 1.00 0.00 H new ATOM 0 HA HIS B 26 6.366 8.282 -13.247 1.00 0.00 H new ATOM 0 HB2 HIS B 26 5.522 5.525 -14.162 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.411 6.867 -14.349 1.00 0.00 H new ATOM 0 HD1 HIS B 26 4.876 8.590 -16.179 1.00 0.00 H new ATOM 0 HD2 HIS B 26 8.061 5.894 -15.612 1.00 0.00 H new ATOM 0 HE1 HIS B 26 6.543 8.969 -18.080 1.00 0.00 H new ATOM 400 N LEU B 27 5.044 8.293 -11.048 1.00 0.00 N ATOM 401 CA LEU B 27 4.078 8.363 -9.918 1.00 0.00 C ATOM 402 C LEU B 27 2.765 8.993 -10.375 1.00 0.00 C ATOM 403 O LEU B 27 2.755 9.946 -11.124 1.00 0.00 O ATOM 404 CB LEU B 27 4.660 9.218 -8.793 1.00 0.00 C ATOM 405 CG LEU B 27 6.128 8.857 -8.519 1.00 0.00 C ATOM 406 CD1 LEU B 27 6.766 9.954 -7.663 1.00 0.00 C ATOM 407 CD2 LEU B 27 6.195 7.531 -7.761 1.00 0.00 C ATOM 0 H LEU B 27 5.708 9.066 -11.099 1.00 0.00 H new ATOM 0 HA LEU B 27 3.892 7.349 -9.564 1.00 0.00 H new ATOM 0 HB2 LEU B 27 4.586 10.272 -9.059 1.00 0.00 H new ATOM 0 HB3 LEU B 27 4.073 9.077 -7.885 1.00 0.00 H new ATOM 0 HG LEU B 27 6.662 8.766 -9.465 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.808 9.702 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.717 10.905 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.228 10.038 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.237 7.275 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU B 27 5.662 7.625 -6.815 1.00 0.00 H new ATOM 0 HD23 LEU B 27 5.734 6.746 -8.360 1.00 0.00 H new ATOM 419 N CYS B 28 1.651 8.485 -9.908 1.00 0.00 N ATOM 420 CA CYS B 28 0.338 9.074 -10.305 1.00 0.00 C ATOM 421 C CYS B 28 -0.618 9.065 -9.115 1.00 0.00 C ATOM 422 O CYS B 28 -0.897 8.038 -8.530 1.00 0.00 O ATOM 423 CB CYS B 28 -0.263 8.252 -11.446 1.00 0.00 C ATOM 424 SG CYS B 28 0.941 8.116 -12.790 1.00 0.00 S ATOM 0 H CYS B 28 1.596 7.690 -9.271 1.00 0.00 H new ATOM 0 HA CYS B 28 0.491 10.102 -10.633 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.538 7.260 -11.088 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -1.176 8.725 -11.808 1.00 0.00 H new ATOM 429 N GLY B 29 -1.133 10.216 -8.776 1.00 0.00 N ATOM 430 CA GLY B 29 -2.096 10.328 -7.644 1.00 0.00 C ATOM 431 C GLY B 29 -1.706 9.412 -6.481 1.00 0.00 C ATOM 432 O GLY B 29 -0.774 9.677 -5.761 1.00 0.00 O ATOM 0 H GLY B 29 -0.923 11.098 -9.244 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -2.133 11.361 -7.298 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -3.097 10.071 -7.990 1.00 0.00 H new ATOM 436 N SER B 30 -2.439 8.351 -6.281 1.00 0.00 N ATOM 437 CA SER B 30 -2.147 7.421 -5.145 1.00 0.00 C ATOM 438 C SER B 30 -0.638 7.243 -4.943 1.00 0.00 C ATOM 439 O SER B 30 -0.110 7.537 -3.890 1.00 0.00 O ATOM 440 CB SER B 30 -2.783 6.060 -5.428 1.00 0.00 C ATOM 441 OG SER B 30 -4.196 6.204 -5.489 1.00 0.00 O ATOM 0 H SER B 30 -3.235 8.084 -6.859 1.00 0.00 H new ATOM 0 HA SER B 30 -2.565 7.852 -4.235 1.00 0.00 H new ATOM 0 HB2 SER B 30 -2.406 5.658 -6.369 1.00 0.00 H new ATOM 0 HB3 SER B 30 -2.512 5.350 -4.647 1.00 0.00 H new ATOM 0 HG SER B 30 -4.606 5.333 -5.672 1.00 0.00 H new ATOM 447 N ASP B 31 0.059 6.759 -5.929 1.00 0.00 N ATOM 448 CA ASP B 31 1.526 6.561 -5.768 1.00 0.00 C ATOM 449 C ASP B 31 2.211 7.916 -5.571 1.00 0.00 C ATOM 450 O ASP B 31 3.083 8.066 -4.742 1.00 0.00 O ATOM 451 CB ASP B 31 2.085 5.875 -7.019 1.00 0.00 C ATOM 452 CG ASP B 31 1.091 4.820 -7.507 1.00 0.00 C ATOM 453 OD1 ASP B 31 0.013 5.201 -7.931 1.00 0.00 O ATOM 454 OD2 ASP B 31 1.426 3.648 -7.448 1.00 0.00 O ATOM 0 H ASP B 31 -0.320 6.492 -6.837 1.00 0.00 H new ATOM 0 HA ASP B 31 1.716 5.936 -4.896 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.264 6.612 -7.802 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.045 5.410 -6.794 1.00 0.00 H new ATOM 459 N LEU B 32 1.818 8.895 -6.334 1.00 0.00 N ATOM 460 CA LEU B 32 2.430 10.252 -6.223 1.00 0.00 C ATOM 461 C LEU B 32 2.049 10.880 -4.899 1.00 0.00 C ATOM 462 O LEU B 32 2.888 11.140 -4.067 1.00 0.00 O ATOM 463 CB LEU B 32 1.903 11.084 -7.390 1.00 0.00 C ATOM 464 CG LEU B 32 2.252 12.567 -7.238 1.00 0.00 C ATOM 465 CD1 LEU B 32 3.783 12.746 -7.067 1.00 0.00 C ATOM 466 CD2 LEU B 32 1.740 13.302 -8.498 1.00 0.00 C ATOM 0 H LEU B 32 1.088 8.814 -7.041 1.00 0.00 H new ATOM 0 HA LEU B 32 3.518 10.197 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.321 10.706 -8.323 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.821 10.971 -7.457 1.00 0.00 H new ATOM 0 HG LEU B 32 1.779 12.985 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU B 32 4.016 13.805 -6.960 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.115 12.210 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.296 12.348 -7.943 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.974 14.364 -8.420 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.224 12.888 -9.383 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.661 13.173 -8.581 1.00 0.00 H new ATOM 478 N VAL B 33 0.792 11.114 -4.694 1.00 0.00 N ATOM 479 CA VAL B 33 0.328 11.702 -3.411 1.00 0.00 C ATOM 480 C VAL B 33 1.108 11.058 -2.271 1.00 0.00 C ATOM 481 O VAL B 33 1.785 11.714 -1.504 1.00 0.00 O ATOM 482 CB VAL B 33 -1.155 11.374 -3.237 1.00 0.00 C ATOM 483 CG1 VAL B 33 -1.585 11.642 -1.784 1.00 0.00 C ATOM 484 CG2 VAL B 33 -1.971 12.227 -4.207 1.00 0.00 C ATOM 0 H VAL B 33 0.052 10.921 -5.369 1.00 0.00 H new ATOM 0 HA VAL B 33 0.480 12.781 -3.409 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.329 10.320 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.643 11.406 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.998 11.018 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.419 12.692 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -3.030 11.999 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.801 13.283 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.664 12.009 -5.230 1.00 0.00 H new ATOM 494 N GLU B 34 1.032 9.765 -2.183 1.00 0.00 N ATOM 495 CA GLU B 34 1.788 9.056 -1.121 1.00 0.00 C ATOM 496 C GLU B 34 3.249 9.486 -1.234 1.00 0.00 C ATOM 497 O GLU B 34 3.920 9.727 -0.250 1.00 0.00 O ATOM 498 CB GLU B 34 1.671 7.543 -1.319 1.00 0.00 C ATOM 499 CG GLU B 34 0.261 7.089 -0.940 1.00 0.00 C ATOM 500 CD GLU B 34 0.137 5.577 -1.144 1.00 0.00 C ATOM 501 OE1 GLU B 34 1.134 4.894 -0.980 1.00 0.00 O ATOM 502 OE2 GLU B 34 -0.952 5.129 -1.461 1.00 0.00 O ATOM 0 H GLU B 34 0.480 9.168 -2.799 1.00 0.00 H new ATOM 0 HA GLU B 34 1.391 9.302 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU B 34 1.882 7.283 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.409 7.027 -0.705 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.053 7.344 0.099 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.476 7.610 -1.550 1.00 0.00 H new ATOM 509 N ALA B 35 3.732 9.625 -2.442 1.00 0.00 N ATOM 510 CA ALA B 35 5.130 10.088 -2.634 1.00 0.00 C ATOM 511 C ALA B 35 5.250 11.460 -1.989 1.00 0.00 C ATOM 512 O ALA B 35 6.251 11.787 -1.401 1.00 0.00 O ATOM 513 CB ALA B 35 5.469 10.179 -4.137 1.00 0.00 C ATOM 0 H ALA B 35 3.215 9.437 -3.301 1.00 0.00 H new ATOM 0 HA ALA B 35 5.827 9.384 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA B 35 6.497 10.520 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA B 35 5.356 9.197 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA B 35 4.794 10.885 -4.620 1.00 0.00 H new ATOM 519 N LEU B 36 4.231 12.273 -2.068 1.00 0.00 N ATOM 520 CA LEU B 36 4.335 13.601 -1.428 1.00 0.00 C ATOM 521 C LEU B 36 4.214 13.427 0.081 1.00 0.00 C ATOM 522 O LEU B 36 5.096 13.798 0.827 1.00 0.00 O ATOM 523 CB LEU B 36 3.236 14.501 -1.941 1.00 0.00 C ATOM 524 CG LEU B 36 3.540 14.900 -3.397 1.00 0.00 C ATOM 525 CD1 LEU B 36 2.253 15.443 -4.044 1.00 0.00 C ATOM 526 CD2 LEU B 36 4.682 15.958 -3.441 1.00 0.00 C ATOM 0 H LEU B 36 3.349 12.074 -2.540 1.00 0.00 H new ATOM 0 HA LEU B 36 5.296 14.057 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.276 13.989 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.159 15.391 -1.317 1.00 0.00 H new ATOM 0 HG LEU B 36 3.878 14.028 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.457 15.729 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.483 14.671 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.906 16.314 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.886 16.230 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.378 16.845 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.583 15.540 -2.992 1.00 0.00 H new ATOM 538 N TYR B 37 3.139 12.836 0.539 1.00 0.00 N ATOM 539 CA TYR B 37 2.978 12.606 2.003 1.00 0.00 C ATOM 540 C TYR B 37 4.284 12.030 2.547 1.00 0.00 C ATOM 541 O TYR B 37 4.667 12.260 3.675 1.00 0.00 O ATOM 542 CB TYR B 37 1.849 11.607 2.234 1.00 0.00 C ATOM 543 CG TYR B 37 1.688 11.407 3.713 1.00 0.00 C ATOM 544 CD1 TYR B 37 2.519 10.512 4.391 1.00 0.00 C ATOM 545 CD2 TYR B 37 0.717 12.127 4.407 1.00 0.00 C ATOM 546 CE1 TYR B 37 2.376 10.333 5.771 1.00 0.00 C ATOM 547 CE2 TYR B 37 0.571 11.953 5.785 1.00 0.00 C ATOM 548 CZ TYR B 37 1.400 11.055 6.470 1.00 0.00 C ATOM 549 OH TYR B 37 1.256 10.883 7.832 1.00 0.00 O ATOM 0 H TYR B 37 2.367 12.504 -0.039 1.00 0.00 H new ATOM 0 HA TYR B 37 2.741 13.542 2.509 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.921 11.976 1.798 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.075 10.659 1.746 1.00 0.00 H new ATOM 0 HD1 TYR B 37 3.272 9.958 3.850 1.00 0.00 H new ATOM 0 HD2 TYR B 37 0.078 12.819 3.879 1.00 0.00 H new ATOM 0 HE1 TYR B 37 3.016 9.640 6.296 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -0.181 12.511 6.323 1.00 0.00 H new ATOM 0 HH TYR B 37 0.535 11.460 8.160 1.00 0.00 H new ATOM 559 N LEU B 38 4.976 11.300 1.725 1.00 0.00 N ATOM 560 CA LEU B 38 6.270 10.713 2.131 1.00 0.00 C ATOM 561 C LEU B 38 7.319 11.823 2.118 1.00 0.00 C ATOM 562 O LEU B 38 8.096 11.983 3.038 1.00 0.00 O ATOM 563 CB LEU B 38 6.626 9.634 1.105 1.00 0.00 C ATOM 564 CG LEU B 38 8.011 9.035 1.405 1.00 0.00 C ATOM 565 CD1 LEU B 38 8.102 7.629 0.791 1.00 0.00 C ATOM 566 CD2 LEU B 38 9.141 9.930 0.832 1.00 0.00 C ATOM 0 H LEU B 38 4.691 11.083 0.770 1.00 0.00 H new ATOM 0 HA LEU B 38 6.224 10.275 3.128 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.872 8.847 1.121 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.619 10.062 0.102 1.00 0.00 H new ATOM 0 HG LEU B 38 8.137 8.977 2.486 1.00 0.00 H new ATOM 0 HD11 LEU B 38 9.083 7.202 1.002 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.329 6.993 1.222 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.959 7.693 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU B 38 10.109 9.483 1.058 1.00 0.00 H new ATOM 0 HD22 LEU B 38 9.025 10.016 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU B 38 9.084 10.921 1.283 1.00 0.00 H new ATOM 578 N VAL B 39 7.328 12.591 1.069 1.00 0.00 N ATOM 579 CA VAL B 39 8.301 13.714 0.940 1.00 0.00 C ATOM 580 C VAL B 39 7.875 14.876 1.849 1.00 0.00 C ATOM 581 O VAL B 39 8.599 15.301 2.727 1.00 0.00 O ATOM 582 CB VAL B 39 8.293 14.183 -0.528 1.00 0.00 C ATOM 583 CG1 VAL B 39 8.952 15.552 -0.669 1.00 0.00 C ATOM 584 CG2 VAL B 39 9.034 13.169 -1.399 1.00 0.00 C ATOM 0 H VAL B 39 6.691 12.488 0.279 1.00 0.00 H new ATOM 0 HA VAL B 39 9.298 13.385 1.232 1.00 0.00 H new ATOM 0 HB VAL B 39 7.256 14.262 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.933 15.859 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.409 16.281 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.985 15.495 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL B 39 9.026 13.505 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL B 39 10.064 13.078 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL B 39 8.541 12.199 -1.328 1.00 0.00 H new ATOM 594 N CYS B 40 6.715 15.409 1.600 1.00 0.00 N ATOM 595 CA CYS B 40 6.210 16.573 2.382 1.00 0.00 C ATOM 596 C CYS B 40 5.898 16.197 3.833 1.00 0.00 C ATOM 597 O CYS B 40 6.280 16.888 4.755 1.00 0.00 O ATOM 598 CB CYS B 40 4.930 17.025 1.705 1.00 0.00 C ATOM 599 SG CYS B 40 5.256 17.193 -0.062 1.00 0.00 S ATOM 0 H CYS B 40 6.080 15.081 0.872 1.00 0.00 H new ATOM 0 HA CYS B 40 6.970 17.354 2.407 1.00 0.00 H new ATOM 0 HB2 CYS B 40 4.133 16.302 1.877 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.594 17.975 2.122 1.00 0.00 H new ATOM 604 N GLY B 41 5.205 15.119 4.046 1.00 0.00 N ATOM 605 CA GLY B 41 4.871 14.718 5.441 1.00 0.00 C ATOM 606 C GLY B 41 3.943 15.748 6.092 1.00 0.00 C ATOM 607 O GLY B 41 2.825 15.953 5.663 1.00 0.00 O ATOM 0 H GLY B 41 4.854 14.497 3.318 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.391 13.739 5.439 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.786 14.623 6.027 1.00 0.00 H new ATOM 611 N GLU B 42 4.392 16.373 7.146 1.00 0.00 N ATOM 612 CA GLU B 42 3.535 17.365 7.860 1.00 0.00 C ATOM 613 C GLU B 42 3.240 18.583 6.978 1.00 0.00 C ATOM 614 O GLU B 42 2.134 19.085 6.959 1.00 0.00 O ATOM 615 CB GLU B 42 4.255 17.824 9.132 1.00 0.00 C ATOM 616 CG GLU B 42 3.453 18.942 9.806 1.00 0.00 C ATOM 617 CD GLU B 42 3.948 19.135 11.241 1.00 0.00 C ATOM 618 OE1 GLU B 42 5.076 19.570 11.404 1.00 0.00 O ATOM 619 OE2 GLU B 42 3.190 18.844 12.152 1.00 0.00 O ATOM 0 H GLU B 42 5.321 16.239 7.546 1.00 0.00 H new ATOM 0 HA GLU B 42 2.588 16.887 8.109 1.00 0.00 H new ATOM 0 HB2 GLU B 42 4.373 16.985 9.817 1.00 0.00 H new ATOM 0 HB3 GLU B 42 5.256 18.179 8.887 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.562 19.870 9.245 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.392 18.692 9.807 1.00 0.00 H new ATOM 626 N ARG B 43 4.212 19.083 6.272 1.00 0.00 N ATOM 627 CA ARG B 43 3.963 20.287 5.429 1.00 0.00 C ATOM 628 C ARG B 43 2.703 20.097 4.582 1.00 0.00 C ATOM 629 O ARG B 43 2.160 21.048 4.060 1.00 0.00 O ATOM 630 CB ARG B 43 5.157 20.543 4.498 1.00 0.00 C ATOM 631 CG ARG B 43 6.461 20.214 5.212 1.00 0.00 C ATOM 632 CD ARG B 43 7.657 20.711 4.374 1.00 0.00 C ATOM 633 NE ARG B 43 8.344 19.534 3.773 1.00 0.00 N ATOM 634 CZ ARG B 43 9.272 19.706 2.873 1.00 0.00 C ATOM 635 NH1 ARG B 43 9.621 20.912 2.517 1.00 0.00 N ATOM 636 NH2 ARG B 43 9.851 18.671 2.327 1.00 0.00 N ATOM 0 H ARG B 43 5.163 18.715 6.240 1.00 0.00 H new ATOM 0 HA ARG B 43 3.828 21.141 6.093 1.00 0.00 H new ATOM 0 HB2 ARG B 43 5.063 19.935 3.598 1.00 0.00 H new ATOM 0 HB3 ARG B 43 5.162 21.585 4.179 1.00 0.00 H new ATOM 0 HG2 ARG B 43 6.475 20.682 6.196 1.00 0.00 H new ATOM 0 HG3 ARG B 43 6.538 19.138 5.370 1.00 0.00 H new ATOM 0 HD2 ARG B 43 7.314 21.388 3.592 1.00 0.00 H new ATOM 0 HD3 ARG B 43 8.350 21.273 5.001 1.00 0.00 H new ATOM 0 HE ARG B 43 8.088 18.591 4.066 1.00 0.00 H new ATOM 0 HH11 ARG B 43 9.168 21.721 2.943 1.00 0.00 H new ATOM 0 HH12 ARG B 43 10.347 21.046 1.813 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.577 17.728 2.604 1.00 0.00 H new ATOM 0 HH22 ARG B 43 10.577 18.805 1.623 1.00 0.00 H new ATOM 650 N GLY B 44 2.240 18.889 4.410 1.00 0.00 N ATOM 651 CA GLY B 44 1.033 18.698 3.557 1.00 0.00 C ATOM 652 C GLY B 44 1.462 18.914 2.107 1.00 0.00 C ATOM 653 O GLY B 44 2.628 19.093 1.833 1.00 0.00 O ATOM 0 H GLY B 44 2.636 18.041 4.815 1.00 0.00 H new ATOM 0 HA2 GLY B 44 0.622 17.697 3.691 1.00 0.00 H new ATOM 0 HA3 GLY B 44 0.250 19.404 3.835 1.00 0.00 H new ATOM 657 N PHE B 45 0.564 18.899 1.163 1.00 0.00 N ATOM 658 CA PHE B 45 1.021 19.099 -0.241 1.00 0.00 C ATOM 659 C PHE B 45 -0.174 19.351 -1.186 1.00 0.00 C ATOM 660 O PHE B 45 -1.317 19.191 -0.789 1.00 0.00 O ATOM 661 CB PHE B 45 1.753 17.838 -0.675 1.00 0.00 C ATOM 662 CG PHE B 45 0.929 16.630 -0.316 1.00 0.00 C ATOM 663 CD1 PHE B 45 -0.050 16.167 -1.191 1.00 0.00 C ATOM 664 CD2 PHE B 45 1.157 15.971 0.892 1.00 0.00 C ATOM 665 CE1 PHE B 45 -0.805 15.035 -0.859 1.00 0.00 C ATOM 666 CE2 PHE B 45 0.405 14.843 1.229 1.00 0.00 C ATOM 667 CZ PHE B 45 -0.574 14.374 0.355 1.00 0.00 C ATOM 0 H PHE B 45 -0.438 18.761 1.294 1.00 0.00 H new ATOM 0 HA PHE B 45 1.674 19.970 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE B 45 1.934 17.862 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE B 45 2.727 17.785 -0.189 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.227 16.680 -2.125 1.00 0.00 H new ATOM 0 HD2 PHE B 45 1.917 16.334 1.568 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -1.563 14.672 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE B 45 0.582 14.335 2.166 1.00 0.00 H new ATOM 0 HZ PHE B 45 -1.155 13.501 0.613 1.00 0.00 H new HETATM 677 N 23F B 46 0.068 19.761 -2.525 1.00 0.00 N HETATM 678 CA 23F B 46 -0.992 19.993 -3.431 1.00 0.00 C HETATM 679 C 23F B 46 -1.838 18.831 -3.879 1.00 0.00 C HETATM 680 CB 23F B 46 -1.270 21.273 -3.940 1.00 0.00 C HETATM 681 CG 23F B 46 -0.475 22.535 -3.672 1.00 0.00 C HETATM 682 CD1 23F B 46 0.769 22.606 -2.863 1.00 0.00 C HETATM 683 CD2 23F B 46 -0.950 23.770 -4.322 1.00 0.00 C HETATM 684 CE1 23F B 46 1.479 23.855 -2.740 1.00 0.00 C HETATM 685 CE2 23F B 46 -0.235 24.984 -4.183 1.00 0.00 C HETATM 686 CZ 23F B 46 0.981 25.044 -3.399 1.00 0.00 C HETATM 687 O 23F B 46 -1.517 18.195 -4.864 1.00 0.00 O HETATM 0 HZ 23F B 46 1.522 25.986 -3.305 1.00 0.00 H new HETATM 0 HE2 23F B 46 -0.605 25.885 -4.672 1.00 0.00 H new HETATM 0 HE1 23F B 46 2.394 23.904 -2.149 1.00 0.00 H new HETATM 0 HD2 23F B 46 -1.863 23.748 -4.917 1.00 0.00 H new HETATM 0 HD1 23F B 46 1.145 21.714 -2.362 1.00 0.00 H new HETATM 0 HB 23F B 46 -2.140 21.367 -4.589 1.00 0.00 H new ATOM 695 N TYR B 47 -3.007 18.497 -3.185 1.00 0.00 N ATOM 696 CA TYR B 47 -3.885 17.358 -3.635 1.00 0.00 C ATOM 697 C TYR B 47 -5.108 17.316 -2.704 1.00 0.00 C ATOM 698 O TYR B 47 -5.113 16.638 -1.696 1.00 0.00 O ATOM 699 CB TYR B 47 -3.113 16.001 -3.582 1.00 0.00 C ATOM 700 CG TYR B 47 -3.023 15.371 -4.963 1.00 0.00 C ATOM 701 CD1 TYR B 47 -4.191 14.945 -5.605 1.00 0.00 C ATOM 702 CD2 TYR B 47 -1.776 15.193 -5.592 1.00 0.00 C ATOM 703 CE1 TYR B 47 -4.123 14.349 -6.869 1.00 0.00 C ATOM 704 CE2 TYR B 47 -1.712 14.593 -6.856 1.00 0.00 C ATOM 705 CZ TYR B 47 -2.884 14.173 -7.494 1.00 0.00 C ATOM 706 OH TYR B 47 -2.818 13.582 -8.739 1.00 0.00 O ATOM 0 H TYR B 47 -3.338 18.985 -2.352 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.195 17.512 -4.668 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.110 16.164 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.618 15.318 -2.899 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.148 15.077 -5.123 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.871 15.518 -5.101 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.027 14.025 -7.362 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.756 14.454 -7.339 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.640 13.774 -9.236 1.00 0.00 H new ATOM 716 N THR B 48 -6.138 18.053 -3.029 1.00 0.00 N ATOM 717 CA THR B 48 -7.352 18.075 -2.159 1.00 0.00 C ATOM 718 C THR B 48 -8.298 16.933 -2.542 1.00 0.00 C ATOM 719 O THR B 48 -9.155 16.548 -1.772 1.00 0.00 O ATOM 720 CB THR B 48 -8.073 19.415 -2.331 1.00 0.00 C ATOM 721 OG1 THR B 48 -9.132 19.503 -1.388 1.00 0.00 O ATOM 722 CG2 THR B 48 -8.639 19.521 -3.748 1.00 0.00 C ATOM 0 H THR B 48 -6.191 18.641 -3.860 1.00 0.00 H new ATOM 0 HA THR B 48 -7.049 17.949 -1.120 1.00 0.00 H new ATOM 0 HB THR B 48 -7.367 20.229 -2.166 1.00 0.00 H new ATOM 0 HG1 THR B 48 -9.595 20.360 -1.495 1.00 0.00 H new ATOM 0 HG21 THR B 48 -9.151 20.476 -3.865 1.00 0.00 H new ATOM 0 HG22 THR B 48 -7.826 19.454 -4.471 1.00 0.00 H new ATOM 0 HG23 THR B 48 -9.344 18.708 -3.920 1.00 0.00 H new ATOM 730 N LYS B 49 -8.157 16.389 -3.720 1.00 0.00 N ATOM 731 CA LYS B 49 -9.060 15.275 -4.132 1.00 0.00 C ATOM 732 C LYS B 49 -10.521 15.711 -3.958 1.00 0.00 C ATOM 733 O LYS B 49 -11.168 15.308 -3.011 1.00 0.00 O ATOM 734 CB LYS B 49 -8.808 14.063 -3.246 1.00 0.00 C ATOM 735 CG LYS B 49 -7.305 13.801 -3.146 1.00 0.00 C ATOM 736 CD LYS B 49 -7.063 12.411 -2.549 1.00 0.00 C ATOM 737 CE LYS B 49 -7.761 12.297 -1.189 1.00 0.00 C ATOM 738 NZ LYS B 49 -9.207 12.001 -1.397 1.00 0.00 N ATOM 0 H LYS B 49 -7.460 16.665 -4.412 1.00 0.00 H new ATOM 0 HA LYS B 49 -8.865 15.023 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -9.224 14.234 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -9.313 13.189 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -6.848 13.868 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.834 14.562 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -7.440 11.644 -3.226 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -5.993 12.237 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -7.299 11.508 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -7.645 13.225 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.765 12.862 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.358 11.675 -2.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.508 11.259 -0.734 1.00 0.00 H new ATOM 752 N PRO B 50 -11.003 16.532 -4.855 1.00 0.00 N ATOM 753 CA PRO B 50 -12.380 17.029 -4.777 1.00 0.00 C ATOM 754 C PRO B 50 -13.372 15.860 -4.715 1.00 0.00 C ATOM 755 O PRO B 50 -13.959 15.586 -3.687 1.00 0.00 O ATOM 756 CB PRO B 50 -12.558 17.877 -6.052 1.00 0.00 C ATOM 757 CG PRO B 50 -11.142 18.108 -6.628 1.00 0.00 C ATOM 758 CD PRO B 50 -10.232 17.036 -6.003 1.00 0.00 C ATOM 0 HA PRO B 50 -12.570 17.618 -3.879 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -13.191 17.362 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -13.043 18.826 -5.822 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -11.148 18.025 -7.715 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -10.784 19.109 -6.386 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -10.009 16.240 -6.713 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -9.278 17.458 -5.687 1.00 0.00 H new ATOM 766 N THR B 51 -13.562 15.172 -5.805 1.00 0.00 N ATOM 767 CA THR B 51 -14.513 14.025 -5.807 1.00 0.00 C ATOM 768 C THR B 51 -14.331 13.211 -7.089 1.00 0.00 C ATOM 769 O THR B 51 -14.497 12.003 -7.030 1.00 0.00 O ATOM 770 CB THR B 51 -15.948 14.551 -5.736 1.00 0.00 C ATOM 771 OG1 THR B 51 -16.850 13.454 -5.675 1.00 0.00 O ATOM 772 CG2 THR B 51 -16.248 15.391 -6.978 1.00 0.00 C ATOM 773 OXT THR B 51 -14.029 13.808 -8.109 1.00 0.00 O ATOM 0 H THR B 51 -13.100 15.354 -6.696 1.00 0.00 H new ATOM 0 HA THR B 51 -14.316 13.390 -4.943 1.00 0.00 H new ATOM 0 HB THR B 51 -16.065 15.169 -4.846 1.00 0.00 H new ATOM 0 HG1 THR B 51 -17.770 13.789 -5.628 1.00 0.00 H new ATOM 0 HG21 THR B 51 -17.271 15.765 -6.926 1.00 0.00 H new ATOM 0 HG22 THR B 51 -15.556 16.232 -7.024 1.00 0.00 H new ATOM 0 HG23 THR B 51 -16.132 14.776 -7.870 1.00 0.00 H new TER 781 THR B 51