USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 375 hydrogens (14 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 27 NVA HD2 : B 27 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 27 NVA H2 : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD NoAdj-H: B 27 NVA H : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Set 1.2: A 19 TYR OH : rot 100:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.197 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.595 K(o=0.6,f=-5.1!) USER MOD Single : A 18 ASN : amide:sc= 0.00744 X(o=0.0074,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.13 K(o=0.13,f=-3.4!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.44) USER MOD Single : B 9 SER OG : rot 180:sc= 0.168 USER MOD Single : B 10 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.078) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 165:sc= 0 USER MOD Single : B 30 THR OG1 : rot 48:sc= 0.853 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.253 1.072 0.510 1.00 25.00 N ATOM 2 CA GLY A 1 2.906 0.723 -0.781 1.00 25.00 C ATOM 3 C GLY A 1 2.000 -0.003 -1.775 1.00 25.00 C ATOM 4 O GLY A 1 1.248 -0.896 -1.463 1.00 25.00 O ATOM 0 H1 GLY A 1 2.936 1.560 1.124 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.441 1.696 0.331 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.925 0.204 0.979 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.274 1.637 -1.246 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.775 0.097 -0.577 1.00 25.00 H new ATOM 9 N ILE A 2 2.045 0.428 -3.029 1.00 25.00 N ATOM 10 CA ILE A 2 1.126 -0.063 -4.075 1.00 25.00 C ATOM 11 C ILE A 2 1.201 -1.585 -4.248 1.00 25.00 C ATOM 12 O ILE A 2 0.179 -2.263 -4.414 1.00 25.00 O ATOM 13 CB ILE A 2 1.400 0.686 -5.438 1.00 25.00 C ATOM 14 CG1 ILE A 2 0.448 0.205 -6.558 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.866 0.484 -5.915 1.00 25.00 C ATOM 16 CD1 ILE A 2 -1.004 0.605 -6.386 1.00 25.00 C ATOM 0 H ILE A 2 2.713 1.125 -3.359 1.00 25.00 H new ATOM 0 HA ILE A 2 0.109 0.160 -3.753 1.00 25.00 H new ATOM 0 HB ILE A 2 1.222 1.744 -5.244 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.806 0.597 -7.510 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.504 -0.882 -6.619 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.019 1.013 -6.856 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.551 0.876 -5.163 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.058 -0.579 -6.061 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -1.589 0.221 -7.222 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -1.388 0.191 -5.454 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.081 1.692 -6.359 1.00 25.00 H new ATOM 28 N VAL A 3 2.397 -2.133 -4.149 1.00 25.00 N ATOM 29 CA VAL A 3 2.582 -3.572 -4.317 1.00 25.00 C ATOM 30 C VAL A 3 1.965 -4.312 -3.123 1.00 25.00 C ATOM 31 O VAL A 3 1.302 -5.328 -3.287 1.00 25.00 O ATOM 32 CB VAL A 3 4.083 -3.923 -4.469 1.00 25.00 C ATOM 33 CG1 VAL A 3 4.292 -5.449 -4.566 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.672 -3.218 -5.720 1.00 25.00 C ATOM 0 H VAL A 3 3.253 -1.613 -3.955 1.00 25.00 H new ATOM 0 HA VAL A 3 2.077 -3.889 -5.229 1.00 25.00 H new ATOM 0 HB VAL A 3 4.606 -3.568 -3.581 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.355 -5.665 -4.672 1.00 25.00 H new ATOM 0 HG12 VAL A 3 3.913 -5.926 -3.662 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.755 -5.835 -5.432 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.728 -3.472 -5.817 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.136 -3.548 -6.610 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.567 -2.138 -5.613 1.00 25.00 H new ATOM 44 N GLU A 4 2.137 -3.771 -1.931 1.00 25.00 N ATOM 45 CA GLU A 4 1.607 -4.388 -0.710 1.00 25.00 C ATOM 46 C GLU A 4 0.110 -4.142 -0.531 1.00 25.00 C ATOM 47 O GLU A 4 -0.505 -4.698 0.374 1.00 25.00 O ATOM 48 CB GLU A 4 2.390 -3.909 0.515 1.00 25.00 C ATOM 49 CG GLU A 4 3.797 -4.478 0.561 1.00 25.00 C ATOM 50 CD GLU A 4 4.545 -4.071 1.811 1.00 25.00 C ATOM 51 OE1 GLU A 4 5.529 -3.383 1.803 1.00 25.00 O ATOM 52 OE2 GLU A 4 4.021 -4.521 2.903 1.00 25.00 O ATOM 0 H GLU A 4 2.642 -2.899 -1.773 1.00 25.00 H new ATOM 0 HA GLU A 4 1.736 -5.465 -0.813 1.00 25.00 H new ATOM 0 HB2 GLU A 4 2.441 -2.820 0.507 1.00 25.00 H new ATOM 0 HB3 GLU A 4 1.855 -4.196 1.420 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.748 -5.566 0.509 1.00 25.00 H new ATOM 0 HG3 GLU A 4 4.351 -4.142 -0.316 1.00 25.00 H new ATOM 60 N GLN A 5 -0.494 -3.380 -1.420 1.00 25.00 N ATOM 61 CA GLN A 5 -1.940 -3.257 -1.429 1.00 25.00 C ATOM 62 C GLN A 5 -2.509 -4.187 -2.501 1.00 25.00 C ATOM 63 O GLN A 5 -3.361 -5.003 -2.228 1.00 25.00 O ATOM 64 CB GLN A 5 -2.399 -1.824 -1.680 1.00 25.00 C ATOM 65 CG GLN A 5 -3.880 -1.648 -1.349 1.00 25.00 C ATOM 66 CD GLN A 5 -4.398 -0.268 -1.720 1.00 25.00 C ATOM 67 OE1 GLN A 5 -4.733 -0.002 -2.869 1.00 25.00 O ATOM 68 NE2 GLN A 5 -4.467 0.611 -0.740 1.00 25.00 N ATOM 0 H GLN A 5 -0.013 -2.841 -2.140 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.311 -3.539 -0.444 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.805 -1.139 -1.075 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.224 -1.562 -2.723 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -4.460 -2.405 -1.878 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -4.033 -1.816 -0.283 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -4.178 0.348 0.202 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.809 1.554 -0.924 1.00 25.00 H new ATOM 77 N CYS A 6 -2.029 -4.048 -3.724 1.00 25.00 N ATOM 78 CA CYS A 6 -2.594 -4.802 -4.852 1.00 25.00 C ATOM 79 C CYS A 6 -2.067 -6.228 -5.063 1.00 25.00 C ATOM 80 O CYS A 6 -2.817 -7.120 -5.423 1.00 25.00 O ATOM 81 CB CYS A 6 -2.328 -4.014 -6.131 1.00 25.00 C ATOM 82 SG CYS A 6 -3.257 -2.465 -6.247 1.00 25.00 S ATOM 0 H CYS A 6 -1.257 -3.429 -3.970 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.650 -4.920 -4.608 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.263 -3.793 -6.194 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.575 -4.639 -6.989 1.00 25.00 H new ATOM 87 N CYS A 7 -0.781 -6.450 -4.860 1.00 25.00 N ATOM 88 CA CYS A 7 -0.215 -7.773 -5.107 1.00 25.00 C ATOM 89 C CYS A 7 -0.434 -8.649 -3.880 1.00 25.00 C ATOM 90 O CYS A 7 -0.302 -9.870 -3.928 1.00 25.00 O ATOM 91 CB CYS A 7 1.279 -7.661 -5.446 1.00 25.00 C ATOM 92 SG CYS A 7 1.948 -9.086 -6.356 1.00 25.00 S ATOM 0 H CYS A 7 -0.116 -5.750 -4.531 1.00 25.00 H new ATOM 0 HA CYS A 7 -0.715 -8.231 -5.961 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.439 -6.759 -6.037 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.842 -7.539 -4.520 1.00 25.00 H new ATOM 97 N THR A 8 -0.812 -8.020 -2.779 1.00 25.00 N ATOM 98 CA THR A 8 -1.063 -8.722 -1.519 1.00 25.00 C ATOM 99 C THR A 8 -2.572 -8.867 -1.234 1.00 25.00 C ATOM 100 O THR A 8 -3.053 -9.935 -0.865 1.00 25.00 O ATOM 101 CB THR A 8 -0.381 -7.949 -0.366 1.00 25.00 C ATOM 102 OG1 THR A 8 0.997 -7.772 -0.690 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.461 -8.713 0.955 1.00 25.00 C ATOM 0 H THR A 8 -0.955 -7.011 -2.728 1.00 25.00 H new ATOM 0 HA THR A 8 -0.648 -9.727 -1.598 1.00 25.00 H new ATOM 0 HB THR A 8 -0.896 -6.995 -0.248 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.475 -7.427 0.093 1.00 25.00 H new ATOM 0 HG21 THR A 8 0.029 -8.136 1.739 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.506 -8.872 1.221 1.00 25.00 H new ATOM 0 HG23 THR A 8 0.037 -9.677 0.849 1.00 25.00 H new ATOM 111 N SER A 9 -3.316 -7.784 -1.432 1.00 25.00 N ATOM 112 CA SER A 9 -4.760 -7.770 -1.140 1.00 25.00 C ATOM 113 C SER A 9 -5.550 -7.338 -2.378 1.00 25.00 C ATOM 114 O SER A 9 -4.985 -7.207 -3.456 1.00 25.00 O ATOM 115 CB SER A 9 -5.023 -6.797 0.013 1.00 25.00 C ATOM 116 OG SER A 9 -4.135 -7.043 1.083 1.00 25.00 O ATOM 0 H SER A 9 -2.952 -6.902 -1.792 1.00 25.00 H new ATOM 0 HA SER A 9 -5.083 -8.773 -0.860 1.00 25.00 H new ATOM 0 HB2 SER A 9 -4.905 -5.771 -0.336 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.052 -6.901 0.356 1.00 25.00 H new ATOM 0 HG SER A 9 -4.316 -6.411 1.810 1.00 25.00 H new ATOM 122 N ILE A 10 -6.850 -7.136 -2.232 1.00 25.00 N ATOM 123 CA ILE A 10 -7.674 -6.662 -3.341 1.00 25.00 C ATOM 124 C ILE A 10 -7.542 -5.137 -3.360 1.00 25.00 C ATOM 125 O ILE A 10 -7.621 -4.507 -2.309 1.00 25.00 O ATOM 126 CB ILE A 10 -9.168 -7.064 -3.149 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.327 -8.601 -3.123 1.00 25.00 C ATOM 128 CG2 ILE A 10 -10.070 -6.431 -4.242 1.00 25.00 C ATOM 129 CD1 ILE A 10 -9.058 -9.318 -4.475 1.00 25.00 C ATOM 0 H ILE A 10 -7.359 -7.291 -1.362 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.342 -7.108 -4.279 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.494 -6.673 -2.185 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.648 -9.008 -2.373 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.340 -8.840 -2.799 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -11.105 -6.732 -4.079 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -9.995 -5.345 -4.191 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.744 -6.772 -5.225 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.196 -10.392 -4.351 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.754 -8.948 -5.228 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -8.036 -9.118 -4.796 1.00 25.00 H new ATOM 141 N CYS A 11 -7.379 -4.549 -4.536 1.00 25.00 N ATOM 142 CA CYS A 11 -7.365 -3.092 -4.660 1.00 25.00 C ATOM 143 C CYS A 11 -8.279 -2.645 -5.799 1.00 25.00 C ATOM 144 O CYS A 11 -8.453 -3.356 -6.792 1.00 25.00 O ATOM 145 CB CYS A 11 -5.937 -2.573 -4.863 1.00 25.00 C ATOM 146 SG CYS A 11 -5.175 -3.093 -6.428 1.00 25.00 S ATOM 0 H CYS A 11 -7.255 -5.051 -5.415 1.00 25.00 H new ATOM 0 HA CYS A 11 -7.744 -2.665 -3.731 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -5.948 -1.484 -4.821 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.316 -2.918 -4.036 1.00 25.00 H new ATOM 151 N SER A 12 -8.883 -1.487 -5.609 1.00 25.00 N ATOM 152 CA SER A 12 -9.821 -0.908 -6.552 1.00 25.00 C ATOM 153 C SER A 12 -9.215 0.357 -7.146 1.00 25.00 C ATOM 154 O SER A 12 -8.320 0.953 -6.556 1.00 25.00 O ATOM 155 CB SER A 12 -11.111 -0.546 -5.827 1.00 25.00 C ATOM 156 OG SER A 12 -11.689 -1.701 -5.253 1.00 25.00 O ATOM 0 H SER A 12 -8.733 -0.912 -4.780 1.00 25.00 H new ATOM 0 HA SER A 12 -10.033 -1.627 -7.343 1.00 25.00 H new ATOM 0 HB2 SER A 12 -10.906 0.191 -5.051 1.00 25.00 H new ATOM 0 HB3 SER A 12 -11.812 -0.088 -6.524 1.00 25.00 H new ATOM 0 HG SER A 12 -12.516 -1.456 -4.788 1.00 25.00 H new ATOM 162 N LEU A 13 -9.738 0.800 -8.290 1.00 25.00 N ATOM 163 CA LEU A 13 -9.245 2.015 -8.948 1.00 25.00 C ATOM 164 C LEU A 13 -9.302 3.255 -8.039 1.00 25.00 C ATOM 165 O LEU A 13 -8.429 4.122 -8.087 1.00 25.00 O ATOM 166 CB LEU A 13 -10.046 2.263 -10.247 1.00 25.00 C ATOM 167 CG LEU A 13 -11.542 2.626 -10.179 1.00 25.00 C ATOM 168 CD1 LEU A 13 -11.904 3.521 -11.370 1.00 25.00 C ATOM 169 CD2 LEU A 13 -12.455 1.381 -10.158 1.00 25.00 C ATOM 0 H LEU A 13 -10.503 0.337 -8.782 1.00 25.00 H new ATOM 0 HA LEU A 13 -8.193 1.852 -9.183 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -9.543 3.065 -10.788 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -9.959 1.364 -10.857 1.00 25.00 H new ATOM 0 HG LEU A 13 -11.708 3.158 -9.242 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -12.962 3.779 -11.323 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -11.307 4.432 -11.335 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -11.701 2.989 -12.300 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -13.498 1.695 -10.110 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -12.294 0.796 -11.064 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -12.219 0.771 -9.286 1.00 25.00 H new ATOM 181 N TYR A 14 -10.284 3.287 -7.145 1.00 25.00 N ATOM 182 CA TYR A 14 -10.446 4.387 -6.211 1.00 25.00 C ATOM 183 C TYR A 14 -9.214 4.513 -5.320 1.00 25.00 C ATOM 184 O TYR A 14 -8.684 5.596 -5.098 1.00 25.00 O ATOM 185 CB TYR A 14 -11.678 4.151 -5.349 1.00 25.00 C ATOM 186 CG TYR A 14 -11.953 5.279 -4.382 1.00 25.00 C ATOM 187 CD1 TYR A 14 -12.648 6.440 -4.800 1.00 25.00 C ATOM 188 CD2 TYR A 14 -11.516 5.209 -3.037 1.00 25.00 C ATOM 189 CE1 TYR A 14 -12.891 7.506 -3.890 1.00 25.00 C ATOM 190 CE2 TYR A 14 -11.745 6.288 -2.122 1.00 25.00 C ATOM 191 CZ TYR A 14 -12.426 7.421 -2.562 1.00 25.00 C ATOM 192 OH TYR A 14 -12.650 8.464 -1.697 1.00 25.00 O ATOM 0 H TYR A 14 -10.986 2.553 -7.050 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.568 5.311 -6.776 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -12.545 4.016 -5.995 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.550 3.224 -4.789 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.997 6.517 -5.819 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -11.000 4.325 -2.694 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.432 8.381 -4.217 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -11.394 6.224 -1.103 1.00 25.00 H new ATOM 0 HH TYR A 14 -12.268 8.250 -0.820 1.00 25.00 H new ATOM 202 N GLN A 15 -8.751 3.386 -4.813 1.00 25.00 N ATOM 203 CA GLN A 15 -7.596 3.383 -3.942 1.00 25.00 C ATOM 204 C GLN A 15 -6.350 3.670 -4.791 1.00 25.00 C ATOM 205 O GLN A 15 -5.489 4.441 -4.372 1.00 25.00 O ATOM 206 CB GLN A 15 -7.462 2.025 -3.259 1.00 25.00 C ATOM 207 CG GLN A 15 -8.637 1.681 -2.346 1.00 25.00 C ATOM 208 CD GLN A 15 -8.690 0.220 -2.005 1.00 25.00 C ATOM 209 OE1 GLN A 15 -8.874 -0.604 -2.877 1.00 25.00 O ATOM 210 NE2 GLN A 15 -8.549 -0.106 -0.755 1.00 25.00 N ATOM 0 H GLN A 15 -9.156 2.467 -4.989 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.706 4.146 -3.171 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -7.367 1.252 -4.022 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -6.542 2.011 -2.674 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -8.562 2.263 -1.427 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -9.568 1.972 -2.832 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -8.396 0.618 -0.053 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -8.591 -1.086 -0.476 1.00 25.00 H new ATOM 219 N LEU A 16 -6.293 3.103 -5.999 1.00 25.00 N ATOM 220 CA LEU A 16 -5.172 3.317 -6.912 1.00 25.00 C ATOM 221 C LEU A 16 -4.908 4.792 -7.174 1.00 25.00 C ATOM 222 O LEU A 16 -3.751 5.194 -7.250 1.00 25.00 O ATOM 223 CB LEU A 16 -5.420 2.631 -8.239 1.00 25.00 C ATOM 224 CG LEU A 16 -4.553 1.388 -8.492 1.00 25.00 C ATOM 225 CD1 LEU A 16 -5.088 0.237 -7.682 1.00 25.00 C ATOM 226 CD2 LEU A 16 -4.545 1.010 -9.950 1.00 25.00 C ATOM 0 H LEU A 16 -7.018 2.487 -6.368 1.00 25.00 H new ATOM 0 HA LEU A 16 -4.297 2.889 -6.422 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -6.470 2.342 -8.292 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -5.246 3.348 -9.041 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.530 1.619 -8.195 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -4.476 -0.648 -7.858 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -5.059 0.493 -6.623 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -6.117 0.031 -7.978 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -3.922 0.127 -10.094 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -5.563 0.793 -10.275 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -4.144 1.836 -10.538 1.00 25.00 H new ATOM 238 N GLU A 17 -5.955 5.604 -7.275 1.00 25.00 N ATOM 239 CA GLU A 17 -5.775 7.042 -7.495 1.00 25.00 C ATOM 240 C GLU A 17 -4.904 7.730 -6.443 1.00 25.00 C ATOM 241 O GLU A 17 -4.213 8.712 -6.761 1.00 25.00 O ATOM 242 CB GLU A 17 -7.128 7.761 -7.571 1.00 25.00 C ATOM 243 CG GLU A 17 -7.880 7.460 -8.860 1.00 25.00 C ATOM 244 CD GLU A 17 -8.798 8.580 -9.278 1.00 25.00 C ATOM 245 OE1 GLU A 17 -9.970 8.446 -9.451 1.00 25.00 O ATOM 246 OE2 GLU A 17 -8.171 9.685 -9.544 1.00 25.00 O ATOM 0 H GLU A 17 -6.927 5.300 -7.210 1.00 25.00 H new ATOM 0 HA GLU A 17 -5.250 7.117 -8.447 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -7.741 7.465 -6.720 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -6.969 8.836 -7.490 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.162 7.269 -9.657 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.463 6.548 -8.730 1.00 25.00 H new ATOM 254 N ASN A 18 -4.879 7.221 -5.214 1.00 25.00 N ATOM 255 CA ASN A 18 -4.087 7.871 -4.164 1.00 25.00 C ATOM 256 C ASN A 18 -2.592 7.692 -4.431 1.00 25.00 C ATOM 257 O ASN A 18 -1.786 8.472 -3.956 1.00 25.00 O ATOM 258 CB ASN A 18 -4.433 7.287 -2.793 1.00 25.00 C ATOM 259 CG ASN A 18 -5.795 7.709 -2.307 1.00 25.00 C ATOM 260 OD1 ASN A 18 -5.932 8.718 -1.652 1.00 25.00 O ATOM 261 ND2 ASN A 18 -6.802 6.932 -2.605 1.00 25.00 N ATOM 0 H ASN A 18 -5.382 6.383 -4.921 1.00 25.00 H new ATOM 0 HA ASN A 18 -4.326 8.934 -4.171 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.392 6.199 -2.845 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -3.681 7.600 -2.069 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.741 7.168 -2.284 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.649 6.089 -3.159 1.00 25.00 H new ATOM 268 N TYR A 19 -2.235 6.698 -5.237 1.00 25.00 N ATOM 269 CA TYR A 19 -0.842 6.430 -5.550 1.00 25.00 C ATOM 270 C TYR A 19 -0.376 7.288 -6.707 1.00 25.00 C ATOM 271 O TYR A 19 0.796 7.302 -7.057 1.00 25.00 O ATOM 272 CB TYR A 19 -0.660 4.959 -5.902 1.00 25.00 C ATOM 273 CG TYR A 19 -0.905 4.037 -4.748 1.00 25.00 C ATOM 274 CD1 TYR A 19 0.058 3.876 -3.722 1.00 25.00 C ATOM 275 CD2 TYR A 19 -2.103 3.309 -4.662 1.00 25.00 C ATOM 276 CE1 TYR A 19 -0.189 2.997 -2.639 1.00 25.00 C ATOM 277 CE2 TYR A 19 -2.343 2.426 -3.596 1.00 25.00 C ATOM 278 CZ TYR A 19 -1.387 2.283 -2.593 1.00 25.00 C ATOM 279 OH TYR A 19 -1.598 1.450 -1.534 1.00 25.00 O ATOM 0 H TYR A 19 -2.896 6.064 -5.685 1.00 25.00 H new ATOM 0 HA TYR A 19 -0.243 6.671 -4.672 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.339 4.701 -6.714 1.00 25.00 H new ATOM 0 HB3 TYR A 19 0.353 4.804 -6.272 1.00 25.00 H new ATOM 0 HD1 TYR A 19 0.986 4.427 -3.766 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -2.853 3.430 -5.429 1.00 25.00 H new ATOM 0 HE1 TYR A 19 0.544 2.880 -1.855 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -3.263 1.862 -3.554 1.00 25.00 H new ATOM 0 HH TYR A 19 -2.180 1.892 -0.881 1.00 25.00 H new ATOM 289 N CYS A 20 -1.311 8.013 -7.300 1.00 25.00 N ATOM 290 CA CYS A 20 -0.985 8.896 -8.408 1.00 25.00 C ATOM 291 C CYS A 20 -0.494 10.231 -7.837 1.00 25.00 C ATOM 292 O CYS A 20 0.030 11.095 -8.548 1.00 25.00 O ATOM 293 CB CYS A 20 -2.218 9.064 -9.264 1.00 25.00 C ATOM 294 SG CYS A 20 -2.954 7.427 -9.576 1.00 25.00 S ATOM 0 H CYS A 20 -2.296 8.008 -7.035 1.00 25.00 H new ATOM 0 HA CYS A 20 -0.193 8.484 -9.033 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -2.938 9.711 -8.763 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -1.959 9.546 -10.207 1.00 25.00 H new ATOM 299 N ASN A 21 -0.623 10.367 -6.504 1.00 25.00 N ATOM 300 CA ASN A 21 -0.084 11.478 -5.728 1.00 25.00 C ATOM 301 C ASN A 21 1.219 11.043 -5.044 1.00 25.00 C ATOM 302 O ASN A 21 1.313 10.173 -4.198 1.00 25.00 O ATOM 303 CB ASN A 21 -1.134 11.974 -4.688 1.00 25.00 C ATOM 304 CG ASN A 21 -2.322 12.562 -5.383 1.00 25.00 C ATOM 305 OD1 ASN A 21 -3.371 11.998 -5.486 1.00 25.00 O ATOM 306 ND2 ASN A 21 -2.154 13.754 -5.935 1.00 25.00 N ATOM 307 OXT ASN A 21 2.261 11.664 -5.476 1.00 25.00 O ATOM 0 H ASN A 21 -1.119 9.685 -5.931 1.00 25.00 H new ATOM 0 HA ASN A 21 0.138 12.312 -6.394 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -1.449 11.144 -4.056 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -0.682 12.719 -4.033 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -2.920 14.191 -6.448 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -1.259 14.235 -5.847 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -11.863 -2.127 -16.018 1.00 25.00 N ATOM 317 CA PHE B 1 -11.248 -2.262 -14.669 1.00 25.00 C ATOM 318 C PHE B 1 -12.113 -3.029 -13.672 1.00 25.00 C ATOM 319 O PHE B 1 -13.245 -2.692 -13.377 1.00 25.00 O ATOM 320 CB PHE B 1 -10.929 -0.850 -14.099 1.00 25.00 C ATOM 321 CG PHE B 1 -9.910 -0.838 -12.942 1.00 25.00 C ATOM 322 CD1 PHE B 1 -10.174 -1.466 -11.714 1.00 25.00 C ATOM 323 CD2 PHE B 1 -8.691 -0.165 -13.112 1.00 25.00 C ATOM 324 CE1 PHE B 1 -9.244 -1.439 -10.677 1.00 25.00 C ATOM 325 CE2 PHE B 1 -7.758 -0.138 -12.070 1.00 25.00 C ATOM 326 CZ PHE B 1 -8.039 -0.770 -10.856 1.00 25.00 C ATOM 0 H1 PHE B 1 -11.221 -1.596 -16.641 1.00 25.00 H new ATOM 0 H2 PHE B 1 -12.032 -3.072 -16.419 1.00 25.00 H new ATOM 0 H3 PHE B 1 -12.767 -1.618 -15.938 1.00 25.00 H new ATOM 0 HA PHE B 1 -10.337 -2.845 -14.802 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -10.549 -0.224 -14.907 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -11.857 -0.395 -13.753 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -11.114 -1.979 -11.571 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -8.473 0.332 -14.046 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -9.458 -1.934 -9.741 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -6.816 0.374 -12.205 1.00 25.00 H new ATOM 0 HZ PHE B 1 -7.317 -0.739 -10.053 1.00 25.00 H new ATOM 337 N VAL B 2 -11.533 -4.085 -13.085 1.00 25.00 N ATOM 338 CA VAL B 2 -12.189 -4.832 -12.012 1.00 25.00 C ATOM 339 C VAL B 2 -11.216 -4.888 -10.838 1.00 25.00 C ATOM 340 O VAL B 2 -9.982 -4.905 -11.027 1.00 25.00 O ATOM 341 CB VAL B 2 -12.617 -6.253 -12.473 1.00 25.00 C ATOM 342 CG1 VAL B 2 -11.419 -7.145 -12.805 1.00 25.00 C ATOM 343 CG2 VAL B 2 -13.491 -6.939 -11.406 1.00 25.00 C ATOM 0 H VAL B 2 -10.610 -4.438 -13.338 1.00 25.00 H new ATOM 0 HA VAL B 2 -13.111 -4.331 -11.716 1.00 25.00 H new ATOM 0 HB VAL B 2 -13.197 -6.118 -13.386 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -11.773 -8.126 -13.122 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.839 -6.691 -13.609 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -10.790 -7.254 -11.921 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -13.777 -7.932 -11.753 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -12.928 -7.028 -10.477 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -14.387 -6.343 -11.232 1.00 25.00 H new ATOM 353 N ASN B 3 -11.760 -4.811 -9.634 1.00 25.00 N ATOM 354 CA ASN B 3 -10.963 -4.829 -8.411 1.00 25.00 C ATOM 355 C ASN B 3 -10.473 -6.255 -8.165 1.00 25.00 C ATOM 356 O ASN B 3 -11.262 -7.184 -8.035 1.00 25.00 O ATOM 357 CB ASN B 3 -11.780 -4.297 -7.221 1.00 25.00 C ATOM 358 CG ASN B 3 -13.046 -5.077 -6.984 1.00 25.00 C ATOM 359 OD1 ASN B 3 -13.907 -5.149 -7.837 1.00 25.00 O ATOM 360 ND2 ASN B 3 -13.157 -5.659 -5.836 1.00 25.00 N ATOM 0 H ASN B 3 -12.764 -4.734 -9.474 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.100 -4.173 -8.521 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -11.165 -4.329 -6.321 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -12.031 -3.251 -7.398 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -13.991 -6.204 -5.619 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -12.410 -5.574 -5.147 1.00 25.00 H new ATOM 367 N GLN B 4 -9.161 -6.444 -8.167 1.00 25.00 N ATOM 368 CA GLN B 4 -8.576 -7.769 -8.100 1.00 25.00 C ATOM 369 C GLN B 4 -7.147 -7.627 -7.571 1.00 25.00 C ATOM 370 O GLN B 4 -6.670 -6.510 -7.350 1.00 25.00 O ATOM 371 CB GLN B 4 -8.573 -8.421 -9.500 1.00 25.00 C ATOM 372 CG GLN B 4 -7.678 -7.711 -10.515 1.00 25.00 C ATOM 373 CD GLN B 4 -7.765 -8.314 -11.896 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.562 -9.502 -12.096 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.058 -7.491 -12.861 1.00 25.00 N ATOM 0 H GLN B 4 -8.479 -5.687 -8.215 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.158 -8.408 -7.436 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.247 -9.457 -9.406 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.594 -8.441 -9.882 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.957 -6.659 -10.565 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -6.644 -7.750 -10.171 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.221 -6.505 -12.658 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.124 -7.832 -13.820 1.00 25.00 H new ATOM 384 N HIS B 5 -6.447 -8.752 -7.446 1.00 25.00 N ATOM 385 CA HIS B 5 -5.035 -8.746 -7.102 1.00 25.00 C ATOM 386 C HIS B 5 -4.248 -8.327 -8.339 1.00 25.00 C ATOM 387 O HIS B 5 -4.114 -9.094 -9.276 1.00 25.00 O ATOM 388 CB HIS B 5 -4.576 -10.129 -6.620 1.00 25.00 C ATOM 389 CG HIS B 5 -5.197 -10.533 -5.314 1.00 25.00 C ATOM 390 ND1 HIS B 5 -4.757 -10.058 -4.077 1.00 25.00 N ATOM 391 CD2 HIS B 5 -6.239 -11.353 -5.028 1.00 25.00 C ATOM 392 CE1 HIS B 5 -5.511 -10.591 -3.126 1.00 25.00 C ATOM 393 NE2 HIS B 5 -6.407 -11.378 -3.674 1.00 25.00 N ATOM 0 H HIS B 5 -6.842 -9.683 -7.580 1.00 25.00 H new ATOM 0 HA HIS B 5 -4.861 -8.045 -6.286 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -4.823 -10.872 -7.378 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -3.491 -10.129 -6.515 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -6.834 -11.894 -5.749 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -5.405 -10.407 -2.067 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -7.111 -11.918 -3.172 1.00 25.00 H new ATOM 402 N LEU B 6 -3.754 -7.107 -8.362 1.00 25.00 N ATOM 403 CA LEU B 6 -2.986 -6.604 -9.502 1.00 25.00 C ATOM 404 C LEU B 6 -1.518 -6.614 -9.140 1.00 25.00 C ATOM 405 O LEU B 6 -1.145 -6.234 -8.043 1.00 25.00 O ATOM 406 CB LEU B 6 -3.431 -5.180 -9.849 1.00 25.00 C ATOM 407 CG LEU B 6 -4.824 -5.085 -10.505 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.390 -3.683 -10.320 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.733 -5.452 -12.004 1.00 25.00 C ATOM 0 H LEU B 6 -3.867 -6.435 -7.603 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.157 -7.240 -10.371 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.431 -4.581 -8.938 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.696 -4.737 -10.521 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.497 -5.794 -10.023 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.374 -3.623 -10.786 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.478 -3.464 -9.256 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.723 -2.957 -10.786 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.722 -5.381 -12.457 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.054 -4.763 -12.507 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.359 -6.470 -12.107 1.00 25.00 H new ATOM 421 N CYS B 7 -0.686 -7.041 -10.066 1.00 25.00 N ATOM 422 CA CYS B 7 0.751 -7.073 -9.831 1.00 25.00 C ATOM 423 C CYS B 7 1.515 -6.913 -11.140 1.00 25.00 C ATOM 424 O CYS B 7 0.942 -7.028 -12.224 1.00 25.00 O ATOM 425 CB CYS B 7 1.135 -8.393 -9.172 1.00 25.00 C ATOM 426 SG CYS B 7 2.599 -8.282 -8.099 1.00 25.00 S ATOM 0 H CYS B 7 -0.974 -7.371 -10.987 1.00 25.00 H new ATOM 0 HA CYS B 7 1.013 -6.245 -9.172 1.00 25.00 H new ATOM 0 HB2 CYS B 7 0.291 -8.753 -8.583 1.00 25.00 H new ATOM 0 HB3 CYS B 7 1.321 -9.135 -9.949 1.00 25.00 H new ATOM 431 N GLY B 8 2.816 -6.627 -11.035 1.00 25.00 N ATOM 432 CA GLY B 8 3.678 -6.493 -12.209 1.00 25.00 C ATOM 433 C GLY B 8 3.186 -5.540 -13.281 1.00 25.00 C ATOM 434 O GLY B 8 2.636 -4.470 -12.996 1.00 25.00 O ATOM 0 H GLY B 8 3.295 -6.484 -10.146 1.00 25.00 H new ATOM 0 HA2 GLY B 8 4.662 -6.162 -11.878 1.00 25.00 H new ATOM 0 HA3 GLY B 8 3.807 -7.479 -12.656 1.00 25.00 H new ATOM 438 N SER B 9 3.375 -5.943 -14.543 1.00 25.00 N ATOM 439 CA SER B 9 2.949 -5.143 -15.676 1.00 25.00 C ATOM 440 C SER B 9 1.453 -4.936 -15.675 1.00 25.00 C ATOM 441 O SER B 9 0.965 -3.902 -16.100 1.00 25.00 O ATOM 442 CB SER B 9 3.365 -5.876 -16.947 1.00 25.00 C ATOM 443 OG SER B 9 3.585 -7.262 -16.661 1.00 25.00 O ATOM 0 H SER B 9 3.823 -6.824 -14.796 1.00 25.00 H new ATOM 0 HA SER B 9 3.415 -4.159 -15.619 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.591 -5.771 -17.707 1.00 25.00 H new ATOM 0 HB3 SER B 9 4.273 -5.431 -17.353 1.00 25.00 H new ATOM 0 HG SER B 9 3.850 -7.727 -17.482 1.00 25.00 H new ATOM 449 N HIS B 10 0.707 -5.891 -15.131 1.00 25.00 N ATOM 450 CA HIS B 10 -0.744 -5.731 -15.026 1.00 25.00 C ATOM 451 C HIS B 10 -1.070 -4.582 -14.057 1.00 25.00 C ATOM 452 O HIS B 10 -1.954 -3.784 -14.325 1.00 25.00 O ATOM 453 CB HIS B 10 -1.416 -7.033 -14.561 1.00 25.00 C ATOM 454 CG HIS B 10 -2.761 -7.237 -15.174 1.00 25.00 C ATOM 455 ND1 HIS B 10 -3.506 -8.420 -15.065 1.00 25.00 N ATOM 456 CD2 HIS B 10 -3.518 -6.424 -15.957 1.00 25.00 C ATOM 457 CE1 HIS B 10 -4.646 -8.267 -15.744 1.00 25.00 C ATOM 458 NE2 HIS B 10 -4.662 -7.070 -16.292 1.00 25.00 N ATOM 0 H HIS B 10 1.071 -6.769 -14.761 1.00 25.00 H new ATOM 0 HA HIS B 10 -1.137 -5.491 -16.014 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -0.775 -7.878 -14.812 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.514 -7.019 -13.476 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.251 -5.423 -16.263 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -5.429 -9.006 -15.830 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -5.411 -6.692 -16.872 1.00 25.00 H new ATOM 467 N LEU B 11 -0.315 -4.457 -12.977 1.00 25.00 N ATOM 468 CA LEU B 11 -0.477 -3.326 -12.051 1.00 25.00 C ATOM 469 C LEU B 11 -0.151 -2.019 -12.762 1.00 25.00 C ATOM 470 O LEU B 11 -0.880 -1.034 -12.624 1.00 25.00 O ATOM 471 CB LEU B 11 0.459 -3.443 -10.842 1.00 25.00 C ATOM 472 CG LEU B 11 -0.149 -3.161 -9.460 1.00 25.00 C ATOM 473 CD1 LEU B 11 0.966 -3.263 -8.404 1.00 25.00 C ATOM 474 CD2 LEU B 11 -0.840 -1.803 -9.353 1.00 25.00 C ATOM 0 H LEU B 11 0.416 -5.117 -12.713 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.512 -3.340 -11.710 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.873 -4.451 -10.831 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.293 -2.757 -10.992 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.927 -3.906 -9.293 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.551 -3.065 -7.416 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.395 -4.265 -8.423 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.743 -2.531 -8.624 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.243 -1.678 -8.348 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.119 -1.011 -9.556 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.651 -1.749 -10.079 1.00 25.00 H new ATOM 486 N VAL B 12 0.927 -2.005 -13.538 1.00 25.00 N ATOM 487 CA VAL B 12 1.288 -0.780 -14.256 1.00 25.00 C ATOM 488 C VAL B 12 0.189 -0.393 -15.249 1.00 25.00 C ATOM 489 O VAL B 12 -0.195 0.765 -15.316 1.00 25.00 O ATOM 490 CB VAL B 12 2.639 -0.932 -14.984 1.00 25.00 C ATOM 491 CG1 VAL B 12 3.003 0.319 -15.774 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.749 -1.219 -13.960 1.00 25.00 C ATOM 0 H VAL B 12 1.551 -2.798 -13.686 1.00 25.00 H new ATOM 0 HA VAL B 12 1.391 0.017 -13.519 1.00 25.00 H new ATOM 0 HB VAL B 12 2.543 -1.761 -15.685 1.00 25.00 H new ATOM 0 HG11 VAL B 12 3.961 0.169 -16.271 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.233 0.514 -16.521 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.075 1.169 -15.096 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.702 -1.326 -14.477 1.00 25.00 H new ATOM 0 HG22 VAL B 12 3.812 -0.394 -13.250 1.00 25.00 H new ATOM 0 HG23 VAL B 12 3.521 -2.141 -13.425 1.00 25.00 H new ATOM 502 N GLU B 13 -0.378 -1.354 -15.963 1.00 25.00 N ATOM 503 CA GLU B 13 -1.482 -1.050 -16.877 1.00 25.00 C ATOM 504 C GLU B 13 -2.679 -0.500 -16.136 1.00 25.00 C ATOM 505 O GLU B 13 -3.318 0.416 -16.595 1.00 25.00 O ATOM 506 CB GLU B 13 -1.924 -2.308 -17.629 1.00 25.00 C ATOM 507 CG GLU B 13 -1.148 -2.559 -18.913 1.00 25.00 C ATOM 508 CD GLU B 13 -1.703 -3.716 -19.689 1.00 25.00 C ATOM 509 OE1 GLU B 13 -2.346 -4.610 -19.173 1.00 25.00 O ATOM 510 OE2 GLU B 13 -1.456 -3.662 -20.957 1.00 25.00 O ATOM 0 H GLU B 13 -0.102 -2.336 -15.933 1.00 25.00 H new ATOM 0 HA GLU B 13 -1.114 -0.301 -17.578 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.811 -3.171 -16.973 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.984 -2.224 -17.867 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.172 -1.662 -19.532 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.102 -2.752 -18.673 1.00 25.00 H new ATOM 518 N ALA B 14 -3.007 -1.087 -14.998 1.00 25.00 N ATOM 519 CA ALA B 14 -4.161 -0.628 -14.232 1.00 25.00 C ATOM 520 C ALA B 14 -3.965 0.819 -13.791 1.00 25.00 C ATOM 521 O ALA B 14 -4.841 1.650 -13.980 1.00 25.00 O ATOM 522 CB ALA B 14 -4.365 -1.516 -13.043 1.00 25.00 C ATOM 0 H ALA B 14 -2.502 -1.871 -14.586 1.00 25.00 H new ATOM 0 HA ALA B 14 -5.048 -0.675 -14.864 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -5.228 -1.170 -12.474 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -4.538 -2.539 -13.378 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -3.478 -1.487 -12.411 1.00 25.00 H new ATOM 528 N LEU B 15 -2.786 1.130 -13.269 1.00 25.00 N ATOM 529 CA LEU B 15 -2.454 2.494 -12.864 1.00 25.00 C ATOM 530 C LEU B 15 -2.486 3.451 -14.042 1.00 25.00 C ATOM 531 O LEU B 15 -2.958 4.566 -13.927 1.00 25.00 O ATOM 532 CB LEU B 15 -1.067 2.544 -12.231 1.00 25.00 C ATOM 533 CG LEU B 15 -1.035 2.788 -10.708 1.00 25.00 C ATOM 534 CD1 LEU B 15 0.404 2.647 -10.223 1.00 25.00 C ATOM 535 CD2 LEU B 15 -1.560 4.214 -10.381 1.00 25.00 C ATOM 0 H LEU B 15 -2.038 0.454 -13.115 1.00 25.00 H new ATOM 0 HA LEU B 15 -3.206 2.802 -12.138 1.00 25.00 H new ATOM 0 HB2 LEU B 15 -0.558 1.603 -12.440 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.493 3.332 -12.719 1.00 25.00 H new ATOM 0 HG LEU B 15 -1.674 2.060 -10.207 1.00 25.00 H new ATOM 0 HD11 LEU B 15 0.444 2.817 -9.147 1.00 25.00 H new ATOM 0 HD12 LEU B 15 0.766 1.643 -10.446 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.032 3.380 -10.729 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.532 4.374 -9.303 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -0.931 4.955 -10.874 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.586 4.315 -10.736 1.00 25.00 H new ATOM 547 N TYR B 16 -2.013 3.004 -15.196 1.00 25.00 N ATOM 548 CA TYR B 16 -2.077 3.815 -16.403 1.00 25.00 C ATOM 549 C TYR B 16 -3.528 4.097 -16.807 1.00 25.00 C ATOM 550 O TYR B 16 -3.860 5.200 -17.179 1.00 25.00 O ATOM 551 CB TYR B 16 -1.366 3.110 -17.566 1.00 25.00 C ATOM 552 CG TYR B 16 -1.553 3.838 -18.882 1.00 25.00 C ATOM 553 CD1 TYR B 16 -0.769 4.956 -19.210 1.00 25.00 C ATOM 554 CD2 TYR B 16 -2.535 3.412 -19.811 1.00 25.00 C ATOM 555 CE1 TYR B 16 -0.961 5.642 -20.442 1.00 25.00 C ATOM 556 CE2 TYR B 16 -2.715 4.087 -21.049 1.00 25.00 C ATOM 557 CZ TYR B 16 -1.934 5.201 -21.345 1.00 25.00 C ATOM 558 OH TYR B 16 -2.130 5.869 -22.533 1.00 25.00 O ATOM 0 H TYR B 16 -1.582 2.088 -15.322 1.00 25.00 H new ATOM 0 HA TYR B 16 -1.578 4.759 -16.185 1.00 25.00 H new ATOM 0 HB2 TYR B 16 -0.302 3.033 -17.345 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -1.747 2.093 -17.659 1.00 25.00 H new ATOM 0 HD1 TYR B 16 -0.012 5.299 -18.520 1.00 25.00 H new ATOM 0 HD2 TYR B 16 -3.156 2.561 -19.575 1.00 25.00 H new ATOM 0 HE1 TYR B 16 -0.355 6.504 -20.680 1.00 25.00 H new ATOM 0 HE2 TYR B 16 -3.453 3.738 -21.756 1.00 25.00 H new ATOM 0 HH TYR B 16 -2.843 5.429 -23.042 1.00 25.00 H new ATOM 568 N LEU B 17 -4.391 3.095 -16.732 1.00 25.00 N ATOM 569 CA LEU B 17 -5.755 3.283 -17.183 1.00 25.00 C ATOM 570 C LEU B 17 -6.503 4.230 -16.262 1.00 25.00 C ATOM 571 O LEU B 17 -7.273 5.073 -16.720 1.00 25.00 O ATOM 572 CB LEU B 17 -6.495 1.935 -17.248 1.00 25.00 C ATOM 573 CG LEU B 17 -6.002 1.006 -18.390 1.00 25.00 C ATOM 574 CD1 LEU B 17 -6.456 -0.416 -18.103 1.00 25.00 C ATOM 575 CD2 LEU B 17 -6.514 1.435 -19.740 1.00 25.00 C ATOM 0 H LEU B 17 -4.176 2.165 -16.372 1.00 25.00 H new ATOM 0 HA LEU B 17 -5.718 3.718 -18.182 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -6.376 1.419 -16.295 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -7.561 2.122 -17.378 1.00 25.00 H new ATOM 0 HG LEU B 17 -4.914 1.065 -18.422 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -6.114 -1.075 -18.901 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -6.036 -0.747 -17.153 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -7.544 -0.447 -18.049 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -6.141 0.753 -20.504 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -7.604 1.417 -19.738 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -6.168 2.446 -19.956 1.00 25.00 H new ATOM 587 N VAL B 18 -6.279 4.114 -14.959 1.00 25.00 N ATOM 588 CA VAL B 18 -6.988 4.986 -14.016 1.00 25.00 C ATOM 589 C VAL B 18 -6.350 6.368 -13.877 1.00 25.00 C ATOM 590 O VAL B 18 -7.057 7.357 -13.660 1.00 25.00 O ATOM 591 CB VAL B 18 -7.157 4.308 -12.612 1.00 25.00 C ATOM 592 CG1 VAL B 18 -5.831 4.049 -11.936 1.00 25.00 C ATOM 593 CG2 VAL B 18 -8.045 5.150 -11.693 1.00 25.00 C ATOM 0 H VAL B 18 -5.633 3.448 -14.535 1.00 25.00 H new ATOM 0 HA VAL B 18 -7.978 5.139 -14.445 1.00 25.00 H new ATOM 0 HB VAL B 18 -7.637 3.346 -12.793 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.002 3.579 -10.968 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -5.228 3.388 -12.559 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -5.305 4.993 -11.793 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -8.143 4.654 -10.727 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -7.595 6.132 -11.552 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -9.031 5.264 -12.144 1.00 25.00 H new ATOM 603 N CYS B 19 -5.030 6.453 -13.982 1.00 25.00 N ATOM 604 CA CYS B 19 -4.330 7.721 -13.740 1.00 25.00 C ATOM 605 C CYS B 19 -3.414 8.210 -14.859 1.00 25.00 C ATOM 606 O CYS B 19 -3.237 9.418 -15.033 1.00 25.00 O ATOM 607 CB CYS B 19 -3.495 7.563 -12.501 1.00 25.00 C ATOM 608 SG CYS B 19 -4.397 7.782 -10.948 1.00 25.00 S ATOM 0 H CYS B 19 -4.423 5.672 -14.230 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.116 8.471 -13.655 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.045 6.570 -12.507 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -2.678 8.284 -12.536 1.00 25.00 H new ATOM 613 N GLY B 20 -2.821 7.319 -15.634 1.00 25.00 N ATOM 614 CA GLY B 20 -1.961 7.740 -16.737 1.00 25.00 C ATOM 615 C GLY B 20 -2.754 8.442 -17.820 1.00 25.00 C ATOM 616 O GLY B 20 -2.242 9.332 -18.485 1.00 25.00 O ATOM 0 H GLY B 20 -2.914 6.309 -15.526 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -1.186 8.408 -16.361 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -1.456 6.871 -17.159 1.00 25.00 H new ATOM 620 N GLU B 21 -4.016 8.087 -17.935 1.00 25.00 N ATOM 621 CA GLU B 21 -4.926 8.715 -18.892 1.00 25.00 C ATOM 622 C GLU B 21 -5.739 9.819 -18.214 1.00 25.00 C ATOM 623 O GLU B 21 -6.702 10.320 -18.763 1.00 25.00 O ATOM 624 CB GLU B 21 -5.850 7.659 -19.496 1.00 25.00 C ATOM 625 CG GLU B 21 -5.079 6.596 -20.272 1.00 25.00 C ATOM 626 CD GLU B 21 -5.985 5.644 -20.992 1.00 25.00 C ATOM 627 OE1 GLU B 21 -6.903 5.072 -20.475 1.00 25.00 O ATOM 628 OE2 GLU B 21 -5.668 5.489 -22.234 1.00 25.00 O ATOM 0 H GLU B 21 -4.448 7.355 -17.371 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.341 9.169 -19.692 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.423 7.182 -18.701 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.567 8.142 -20.160 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.421 7.082 -20.992 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.443 6.038 -19.585 1.00 25.00 H new ATOM 636 N ARG B 22 -5.351 10.165 -16.994 1.00 25.00 N ATOM 637 CA ARG B 22 -6.028 11.214 -16.213 1.00 25.00 C ATOM 638 C ARG B 22 -5.113 12.418 -16.012 1.00 25.00 C ATOM 639 O ARG B 22 -5.517 13.557 -16.190 1.00 25.00 O ATOM 640 CB ARG B 22 -6.396 10.687 -14.825 1.00 25.00 C ATOM 641 CG ARG B 22 -7.207 11.665 -13.975 1.00 25.00 C ATOM 642 CD ARG B 22 -8.666 11.453 -14.212 1.00 25.00 C ATOM 643 NE ARG B 22 -9.259 10.679 -13.104 1.00 25.00 N ATOM 644 CZ ARG B 22 -10.489 10.167 -13.101 1.00 25.00 C ATOM 645 NH1 ARG B 22 -11.291 10.304 -14.127 1.00 25.00 N ATOM 646 NH2 ARG B 22 -10.918 9.509 -12.063 1.00 25.00 N ATOM 0 H ARG B 22 -4.562 9.734 -16.512 1.00 25.00 H new ATOM 0 HA ARG B 22 -6.920 11.506 -16.767 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.965 9.764 -14.939 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.480 10.433 -14.291 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -6.976 11.521 -12.919 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -6.934 12.690 -14.224 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -9.170 12.415 -14.303 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -8.815 10.925 -15.154 1.00 25.00 H new ATOM 0 HE ARG B 22 -8.683 10.524 -12.277 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.979 10.813 -14.954 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -12.228 9.902 -14.099 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -10.312 9.385 -11.252 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -11.860 9.117 -12.061 1.00 25.00 H new ATOM 660 N GLY B 23 -3.897 12.128 -15.584 1.00 25.00 N ATOM 661 CA GLY B 23 -2.927 13.160 -15.259 1.00 25.00 C ATOM 662 C GLY B 23 -2.219 12.863 -13.951 1.00 25.00 C ATOM 663 O GLY B 23 -2.421 13.541 -12.969 1.00 25.00 O ATOM 0 H GLY B 23 -3.555 11.176 -15.452 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -2.194 13.238 -16.062 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -3.429 14.125 -15.191 1.00 25.00 H new ATOM 667 N GLY B 24 -1.397 11.824 -13.939 1.00 25.00 N ATOM 668 CA GLY B 24 -0.680 11.443 -12.735 1.00 25.00 C ATOM 669 C GLY B 24 0.028 10.131 -12.942 1.00 25.00 C ATOM 670 O GLY B 24 -0.519 9.071 -12.693 1.00 25.00 O ATOM 0 H GLY B 24 -1.211 11.232 -14.749 1.00 25.00 H new ATOM 0 HA2 GLY B 24 0.042 12.216 -12.473 1.00 25.00 H new ATOM 0 HA3 GLY B 24 -1.376 11.361 -11.900 1.00 25.00 H new ATOM 674 N PHE B 25 1.244 10.192 -13.471 1.00 25.00 N ATOM 675 CA PHE B 25 1.980 8.970 -13.786 1.00 25.00 C ATOM 676 C PHE B 25 3.465 9.249 -13.701 1.00 25.00 C ATOM 677 O PHE B 25 3.888 10.389 -13.877 1.00 25.00 O ATOM 678 CB PHE B 25 1.601 8.490 -15.195 1.00 25.00 C ATOM 679 CG PHE B 25 1.725 7.016 -15.389 1.00 25.00 C ATOM 680 CD1 PHE B 25 0.998 6.127 -14.574 1.00 25.00 C ATOM 681 CD2 PHE B 25 2.564 6.495 -16.387 1.00 25.00 C ATOM 682 CE1 PHE B 25 1.115 4.728 -14.760 1.00 25.00 C ATOM 683 CE2 PHE B 25 2.690 5.095 -16.569 1.00 25.00 C ATOM 684 CZ PHE B 25 1.958 4.213 -15.750 1.00 25.00 C ATOM 0 H PHE B 25 1.736 11.058 -13.689 1.00 25.00 H new ATOM 0 HA PHE B 25 1.725 8.187 -13.072 1.00 25.00 H new ATOM 0 HB2 PHE B 25 0.574 8.788 -15.405 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.235 8.996 -15.923 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.348 6.514 -13.803 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.119 7.168 -17.023 1.00 25.00 H new ATOM 0 HE1 PHE B 25 0.550 4.054 -14.133 1.00 25.00 H new ATOM 0 HE2 PHE B 25 3.346 4.705 -17.334 1.00 25.00 H new ATOM 0 HZ PHE B 25 2.047 3.145 -15.886 1.00 25.00 H new ATOM 694 N TYR B 26 4.243 8.217 -13.399 1.00 25.00 N ATOM 695 CA TYR B 26 5.692 8.347 -13.232 1.00 25.00 C ATOM 696 C TYR B 26 6.455 7.520 -14.269 1.00 25.00 C ATOM 697 O TYR B 26 7.678 7.564 -14.301 1.00 25.00 O ATOM 698 CB TYR B 26 6.064 7.887 -11.821 1.00 25.00 C ATOM 699 CG TYR B 26 5.497 6.526 -11.466 1.00 25.00 C ATOM 700 CD1 TYR B 26 6.137 5.342 -11.874 1.00 25.00 C ATOM 701 CD2 TYR B 26 4.305 6.426 -10.730 1.00 25.00 C ATOM 702 CE1 TYR B 26 5.587 4.072 -11.547 1.00 25.00 C ATOM 703 CE2 TYR B 26 3.747 5.162 -10.416 1.00 25.00 C ATOM 704 CZ TYR B 26 4.394 3.998 -10.823 1.00 25.00 C ATOM 705 OH TYR B 26 3.859 2.774 -10.485 1.00 25.00 O ATOM 0 H TYR B 26 3.893 7.269 -13.263 1.00 25.00 H new ATOM 0 HA TYR B 26 5.970 9.391 -13.378 1.00 25.00 H new ATOM 0 HB2 TYR B 26 7.150 7.856 -11.731 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.705 8.622 -11.100 1.00 25.00 H new ATOM 0 HD1 TYR B 26 7.055 5.398 -12.441 1.00 25.00 H new ATOM 0 HD2 TYR B 26 3.807 7.325 -10.399 1.00 25.00 H new ATOM 0 HE1 TYR B 26 6.090 3.168 -11.857 1.00 25.00 H new ATOM 0 HE2 TYR B 26 2.822 5.101 -9.862 1.00 25.00 H new ATOM 0 HH TYR B 26 3.177 2.895 -9.792 1.00 25.00 H new HETATM 715 N NVA B 27 5.704 6.758 -15.098 1.00 25.00 N HETATM 716 CA NVA B 27 6.195 5.885 -16.206 1.00 25.00 C HETATM 717 CB NVA B 27 6.330 6.694 -17.531 1.00 25.00 C HETATM 718 CG NVA B 27 5.872 5.872 -18.784 1.00 25.00 C HETATM 719 CD NVA B 27 6.639 6.270 -20.081 1.00 25.00 C HETATM 720 C NVA B 27 7.466 5.018 -15.898 1.00 25.00 C HETATM 721 O NVA B 27 8.594 5.454 -16.088 1.00 25.00 O HETATM 0 HG3 NVA B 27 6.022 4.810 -18.590 1.00 25.00 H new HETATM 0 HG2 NVA B 27 4.803 6.020 -18.939 1.00 25.00 H new HETATM 0 HD3 NVA B 27 6.469 7.325 -20.295 1.00 25.00 H new HETATM 0 HD1 NVA B 27 6.280 5.668 -20.915 1.00 25.00 H new HETATM 0 HB3 NVA B 27 5.734 7.604 -17.460 1.00 25.00 H new HETATM 0 HB2 NVA B 27 7.368 7.001 -17.661 1.00 25.00 H new HETATM 0 HA NVA B 27 5.418 5.131 -16.326 1.00 25.00 H new ATOM 730 N PRO B 28 7.300 3.720 -15.395 1.00 25.00 N ATOM 731 CA PRO B 28 8.459 2.852 -15.114 1.00 25.00 C ATOM 732 C PRO B 28 9.068 2.214 -16.374 1.00 25.00 C ATOM 733 O PRO B 28 8.841 1.035 -16.672 1.00 25.00 O ATOM 734 CB PRO B 28 7.867 1.814 -14.158 1.00 25.00 C ATOM 735 CG PRO B 28 6.465 1.659 -14.627 1.00 25.00 C ATOM 736 CD PRO B 28 6.018 3.042 -15.076 1.00 25.00 C ATOM 0 HA PRO B 28 9.303 3.400 -14.696 1.00 25.00 H new ATOM 0 HB2 PRO B 28 8.411 0.871 -14.205 1.00 25.00 H new ATOM 0 HB3 PRO B 28 7.907 2.154 -13.123 1.00 25.00 H new ATOM 0 HG2 PRO B 28 6.405 0.944 -15.447 1.00 25.00 H new ATOM 0 HG3 PRO B 28 5.826 1.282 -13.828 1.00 25.00 H new ATOM 0 HD2 PRO B 28 5.361 2.992 -15.944 1.00 25.00 H new ATOM 0 HD3 PRO B 28 5.470 3.564 -14.291 1.00 25.00 H new HETATM 744 N HIX B 29 9.818 3.042 -17.141 1.00 25.00 N HETATM 745 CA HIX B 29 10.470 2.670 -18.441 1.00 25.00 C HETATM 746 C HIX B 29 11.582 1.623 -18.289 1.00 25.00 C HETATM 747 O HIX B 29 12.239 1.507 -17.266 1.00 25.00 O HETATM 748 CB HIX B 29 11.028 3.948 -19.191 1.00 25.00 C HETATM 749 CG HIX B 29 9.894 4.726 -19.824 1.00 25.00 C HETATM 750 CD2 HIX B 29 8.678 4.981 -19.240 1.00 25.00 C HETATM 751 ND1 HIX B 29 9.861 5.333 -21.049 1.00 25.00 N HETATM 752 NE1 HIX B 29 8.655 5.989 -21.351 1.00 25.00 N HETATM 753 NE2 HIX B 29 7.997 5.708 -20.151 1.00 25.00 N ATOM 760 N THR B 30 11.812 0.863 -19.390 1.00 25.00 N ATOM 761 CA THR B 30 12.856 -0.201 -19.506 1.00 25.00 C ATOM 762 C THR B 30 13.416 -0.274 -20.937 1.00 25.00 C ATOM 763 O THR B 30 14.459 0.236 -21.247 1.00 25.00 O ATOM 764 CB THR B 30 12.342 -1.589 -19.055 1.00 25.00 C ATOM 765 OG1 THR B 30 11.171 -1.870 -19.800 1.00 25.00 O ATOM 766 CG2 THR B 30 11.966 -1.676 -17.572 1.00 25.00 C ATOM 767 OXT THR B 30 12.682 -0.918 -21.801 1.00 25.00 O ATOM 0 H THR B 30 11.266 0.972 -20.245 1.00 25.00 H new ATOM 0 HA THR B 30 13.662 0.080 -18.828 1.00 25.00 H new ATOM 0 HB THR B 30 13.156 -2.295 -19.220 1.00 25.00 H new ATOM 0 HG1 THR B 30 11.336 -1.689 -20.749 1.00 25.00 H new ATOM 0 HG21 THR B 30 11.616 -2.683 -17.344 1.00 25.00 H new ATOM 0 HG22 THR B 30 12.839 -1.448 -16.961 1.00 25.00 H new ATOM 0 HG23 THR B 30 11.174 -0.959 -17.355 1.00 25.00 H new TER 776 THR B 30