USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 379 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 26 NVA HD3 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD NoAdj-H: B 26 NVA H : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0281 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 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0651 K(o=-0.065,f=-1.7) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.096 K(o=-0.096,f=-1.2) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -1.8! C(o=-1.8!,f=-3.7!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.0202 K(o=0.02,f=-1.9) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0817 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -60:sc= 1.26 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.216 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.991 2.201 -1.174 1.00 25.00 N ATOM 2 CA GLY A 1 1.095 1.037 -1.491 1.00 25.00 C ATOM 3 C GLY A 1 0.410 1.087 -2.864 1.00 25.00 C ATOM 4 O GLY A 1 -0.772 1.319 -3.028 1.00 25.00 O ATOM 0 H1 GLY A 1 2.404 2.073 -0.228 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.752 2.255 -1.880 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.437 3.081 -1.194 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.683 0.121 -1.430 1.00 25.00 H new ATOM 0 HA3 GLY A 1 0.325 0.973 -0.722 1.00 25.00 H new ATOM 9 N ILE A 2 1.215 0.899 -3.913 1.00 25.00 N ATOM 10 CA ILE A 2 0.700 1.049 -5.288 1.00 25.00 C ATOM 11 C ILE A 2 -0.172 -0.139 -5.687 1.00 25.00 C ATOM 12 O ILE A 2 -1.067 0.015 -6.488 1.00 25.00 O ATOM 13 CB ILE A 2 1.892 1.263 -6.283 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.420 1.945 -7.595 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.613 -0.064 -6.562 1.00 25.00 C ATOM 16 CD1 ILE A 2 0.988 3.429 -7.421 1.00 25.00 C ATOM 0 H ILE A 2 2.202 0.649 -3.848 1.00 25.00 H new ATOM 0 HA ILE A 2 0.061 1.931 -5.330 1.00 25.00 H new ATOM 0 HB ILE A 2 2.607 1.937 -5.812 1.00 25.00 H new ATOM 0 HG12 ILE A 2 2.226 1.896 -8.327 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.583 1.380 -8.004 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.437 0.108 -7.255 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.003 -0.470 -5.628 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.912 -0.774 -7.001 1.00 25.00 H new ATOM 0 HD11 ILE A 2 0.673 3.831 -8.384 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.160 3.486 -6.715 1.00 25.00 H new ATOM 0 HD13 ILE A 2 1.829 4.011 -7.043 1.00 25.00 H new ATOM 28 N VAL A 3 0.066 -1.296 -5.115 1.00 25.00 N ATOM 29 CA VAL A 3 -0.731 -2.481 -5.463 1.00 25.00 C ATOM 30 C VAL A 3 -2.193 -2.263 -5.117 1.00 25.00 C ATOM 31 O VAL A 3 -3.083 -2.545 -5.943 1.00 25.00 O ATOM 32 CB VAL A 3 -0.203 -3.760 -4.749 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.100 -4.988 -5.068 1.00 25.00 C ATOM 34 CG2 VAL A 3 1.241 -4.054 -5.172 1.00 25.00 C ATOM 0 H VAL A 3 0.791 -1.456 -4.415 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.636 -2.631 -6.538 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.232 -3.576 -3.675 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.708 -5.867 -4.557 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -2.117 -4.794 -4.728 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.105 -5.166 -6.143 1.00 25.00 H new ATOM 0 HG21 VAL A 3 1.594 -4.951 -4.663 1.00 25.00 H new ATOM 0 HG22 VAL A 3 1.280 -4.209 -6.250 1.00 25.00 H new ATOM 0 HG23 VAL A 3 1.878 -3.211 -4.904 1.00 25.00 H new ATOM 44 N GLU A 4 -2.463 -1.722 -3.940 1.00 25.00 N ATOM 45 CA GLU A 4 -3.836 -1.527 -3.556 1.00 25.00 C ATOM 46 C GLU A 4 -4.528 -0.507 -4.470 1.00 25.00 C ATOM 47 O GLU A 4 -5.713 -0.638 -4.723 1.00 25.00 O ATOM 48 CB GLU A 4 -4.012 -1.155 -2.078 1.00 25.00 C ATOM 49 CG GLU A 4 -3.740 0.311 -1.725 1.00 25.00 C ATOM 50 CD GLU A 4 -3.961 0.592 -0.267 1.00 25.00 C ATOM 51 OE1 GLU A 4 -3.113 0.979 0.461 1.00 25.00 O ATOM 52 OE2 GLU A 4 -5.175 0.382 0.125 1.00 25.00 O ATOM 0 H GLU A 4 -1.767 -1.421 -3.257 1.00 25.00 H new ATOM 0 HA GLU A 4 -4.323 -2.494 -3.682 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -5.032 -1.398 -1.780 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -3.348 -1.782 -1.483 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.713 0.563 -1.991 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.390 0.953 -2.320 1.00 25.00 H new ATOM 60 N GLN A 5 -3.796 0.472 -4.986 1.00 25.00 N ATOM 61 CA GLN A 5 -4.365 1.458 -5.889 1.00 25.00 C ATOM 62 C GLN A 5 -4.675 0.840 -7.258 1.00 25.00 C ATOM 63 O GLN A 5 -5.770 1.026 -7.788 1.00 25.00 O ATOM 64 CB GLN A 5 -3.408 2.636 -6.063 1.00 25.00 C ATOM 65 CG GLN A 5 -3.163 3.459 -4.787 1.00 25.00 C ATOM 66 CD GLN A 5 -2.227 4.615 -5.030 1.00 25.00 C ATOM 67 OE1 GLN A 5 -2.457 5.427 -5.912 1.00 25.00 O ATOM 68 NE2 GLN A 5 -1.188 4.702 -4.251 1.00 25.00 N ATOM 0 H GLN A 5 -2.803 0.603 -4.792 1.00 25.00 H new ATOM 0 HA GLN A 5 -5.297 1.813 -5.449 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.452 2.259 -6.425 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.803 3.297 -6.835 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -4.114 3.836 -4.411 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.748 2.813 -4.013 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.034 4.001 -3.526 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.528 5.471 -4.365 1.00 25.00 H new ATOM 77 N CYS A 6 -3.739 0.060 -7.773 1.00 25.00 N ATOM 78 CA CYS A 6 -3.910 -0.602 -9.055 1.00 25.00 C ATOM 79 C CYS A 6 -5.050 -1.633 -8.959 1.00 25.00 C ATOM 80 O CYS A 6 -5.698 -1.941 -9.958 1.00 25.00 O ATOM 81 CB CYS A 6 -2.584 -1.283 -9.440 1.00 25.00 C ATOM 82 SG CYS A 6 -2.395 -1.680 -11.208 1.00 25.00 S ATOM 0 H CYS A 6 -2.846 -0.131 -7.318 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.174 0.124 -9.824 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.761 -0.634 -9.141 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.488 -2.204 -8.866 1.00 25.00 H new ATOM 87 N CYS A 7 -5.310 -2.122 -7.758 1.00 25.00 N ATOM 88 CA CYS A 7 -6.411 -3.044 -7.511 1.00 25.00 C ATOM 89 C CYS A 7 -7.763 -2.333 -7.336 1.00 25.00 C ATOM 90 O CYS A 7 -8.740 -2.687 -7.991 1.00 25.00 O ATOM 91 CB CYS A 7 -6.092 -3.852 -6.264 1.00 25.00 C ATOM 92 SG CYS A 7 -7.186 -5.307 -6.071 1.00 25.00 S ATOM 0 H CYS A 7 -4.766 -1.893 -6.926 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.509 -3.688 -8.385 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.055 -4.185 -6.306 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -6.186 -3.212 -5.387 1.00 25.00 H new ATOM 97 N THR A 8 -7.832 -1.326 -6.456 1.00 25.00 N ATOM 98 CA THR A 8 -9.113 -0.655 -6.164 1.00 25.00 C ATOM 99 C THR A 8 -9.559 0.273 -7.284 1.00 25.00 C ATOM 100 O THR A 8 -10.749 0.449 -7.523 1.00 25.00 O ATOM 101 CB THR A 8 -9.078 0.115 -4.810 1.00 25.00 C ATOM 102 OG1 THR A 8 -10.407 0.467 -4.416 1.00 25.00 O ATOM 103 CG2 THR A 8 -8.282 1.393 -4.911 1.00 25.00 C ATOM 0 H THR A 8 -7.032 -0.960 -5.939 1.00 25.00 H new ATOM 0 HA THR A 8 -9.849 -1.455 -6.084 1.00 25.00 H new ATOM 0 HB THR A 8 -8.610 -0.546 -4.081 1.00 25.00 H new ATOM 0 HG1 THR A 8 -10.379 0.949 -3.563 1.00 25.00 H new ATOM 0 HG21 THR A 8 -8.283 1.899 -3.946 1.00 25.00 H new ATOM 0 HG22 THR A 8 -7.256 1.161 -5.199 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.731 2.043 -5.662 1.00 25.00 H new ATOM 111 N SER A 9 -8.613 0.833 -8.000 1.00 25.00 N ATOM 112 CA SER A 9 -8.911 1.722 -9.095 1.00 25.00 C ATOM 113 C SER A 9 -8.464 1.086 -10.400 1.00 25.00 C ATOM 114 O SER A 9 -7.961 -0.046 -10.404 1.00 25.00 O ATOM 115 CB SER A 9 -8.224 3.066 -8.910 1.00 25.00 C ATOM 116 OG SER A 9 -8.837 4.032 -9.771 1.00 25.00 O ATOM 0 H SER A 9 -7.617 0.685 -7.839 1.00 25.00 H new ATOM 0 HA SER A 9 -9.987 1.893 -9.120 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.301 3.387 -7.871 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.162 2.979 -9.139 1.00 25.00 H new ATOM 0 HG SER A 9 -8.398 4.900 -9.653 1.00 25.00 H new ATOM 122 N ILE A 10 -8.713 1.763 -11.511 1.00 25.00 N ATOM 123 CA ILE A 10 -8.398 1.223 -12.825 1.00 25.00 C ATOM 124 C ILE A 10 -6.949 1.609 -13.147 1.00 25.00 C ATOM 125 O ILE A 10 -6.576 2.793 -13.017 1.00 25.00 O ATOM 126 CB ILE A 10 -9.353 1.814 -13.891 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.769 1.220 -13.758 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.804 1.586 -15.302 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.935 -0.246 -14.262 1.00 25.00 C ATOM 0 H ILE A 10 -9.134 2.692 -11.528 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.518 0.140 -12.830 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.419 2.888 -13.719 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.063 1.260 -12.709 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.463 1.855 -14.308 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.492 2.010 -16.033 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.831 2.069 -15.396 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.697 0.516 -15.482 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.968 -0.564 -14.122 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.680 -0.298 -15.320 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.274 -0.902 -13.696 1.00 25.00 H new ATOM 141 N CYS A 11 -6.147 0.636 -13.557 1.00 25.00 N ATOM 142 CA CYS A 11 -4.753 0.868 -13.909 1.00 25.00 C ATOM 143 C CYS A 11 -4.585 1.089 -15.413 1.00 25.00 C ATOM 144 O CYS A 11 -4.907 0.235 -16.230 1.00 25.00 O ATOM 145 CB CYS A 11 -3.919 -0.321 -13.435 1.00 25.00 C ATOM 146 SG CYS A 11 -2.646 0.093 -12.195 1.00 25.00 S ATOM 0 H CYS A 11 -6.444 -0.335 -13.655 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.408 1.776 -13.415 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.587 -1.072 -13.014 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.433 -0.775 -14.299 1.00 25.00 H new ATOM 151 N SER A 12 -4.105 2.262 -15.768 1.00 25.00 N ATOM 152 CA SER A 12 -3.865 2.609 -17.164 1.00 25.00 C ATOM 153 C SER A 12 -2.458 2.193 -17.572 1.00 25.00 C ATOM 154 O SER A 12 -1.556 2.034 -16.772 1.00 25.00 O ATOM 155 CB SER A 12 -4.039 4.110 -17.355 1.00 25.00 C ATOM 156 OG SER A 12 -5.184 4.557 -16.639 1.00 25.00 O ATOM 0 H SER A 12 -3.870 3.002 -15.106 1.00 25.00 H new ATOM 0 HA SER A 12 -4.583 2.081 -17.792 1.00 25.00 H new ATOM 0 HB2 SER A 12 -3.151 4.636 -17.004 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.148 4.341 -18.415 1.00 25.00 H new ATOM 0 HG SER A 12 -5.291 5.523 -16.763 1.00 25.00 H new ATOM 162 N LEU A 13 -2.264 2.067 -18.884 1.00 25.00 N ATOM 163 CA LEU A 13 -0.984 1.630 -19.437 1.00 25.00 C ATOM 164 C LEU A 13 0.181 2.570 -19.096 1.00 25.00 C ATOM 165 O LEU A 13 1.287 2.121 -18.878 1.00 25.00 O ATOM 166 CB LEU A 13 -1.128 1.414 -20.946 1.00 25.00 C ATOM 167 CG LEU A 13 -0.530 2.398 -21.982 1.00 25.00 C ATOM 168 CD1 LEU A 13 0.869 1.963 -22.327 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.404 2.354 -23.218 1.00 25.00 C ATOM 0 H LEU A 13 -2.979 2.262 -19.585 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.724 0.683 -18.964 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.704 0.434 -21.164 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -2.196 1.352 -21.153 1.00 25.00 H new ATOM 0 HG LEU A 13 -0.494 3.411 -21.582 1.00 25.00 H new ATOM 0 HD11 LEU A 13 1.295 2.652 -23.056 1.00 25.00 H new ATOM 0 HD12 LEU A 13 1.483 1.963 -21.426 1.00 25.00 H new ATOM 0 HD13 LEU A 13 0.844 0.958 -22.749 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.008 3.038 -23.968 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -1.415 1.341 -23.620 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -2.420 2.651 -22.956 1.00 25.00 H new ATOM 181 N TYR A 14 -0.085 3.856 -18.983 1.00 25.00 N ATOM 182 CA TYR A 14 0.950 4.828 -18.614 1.00 25.00 C ATOM 183 C TYR A 14 1.437 4.541 -17.193 1.00 25.00 C ATOM 184 O TYR A 14 2.621 4.568 -16.897 1.00 25.00 O ATOM 185 CB TYR A 14 0.372 6.266 -18.695 1.00 25.00 C ATOM 186 CG TYR A 14 -0.594 6.452 -19.840 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.132 6.656 -21.156 1.00 25.00 C ATOM 188 CD2 TYR A 14 -1.994 6.448 -19.614 1.00 25.00 C ATOM 189 CE1 TYR A 14 -1.031 6.860 -22.219 1.00 25.00 C ATOM 190 CE2 TYR A 14 -2.890 6.642 -20.685 1.00 25.00 C ATOM 191 CZ TYR A 14 -2.399 6.856 -21.976 1.00 25.00 C ATOM 192 OH TYR A 14 -3.231 7.078 -23.031 1.00 25.00 O ATOM 0 H TYR A 14 -1.007 4.262 -19.140 1.00 25.00 H new ATOM 0 HA TYR A 14 1.789 4.744 -19.305 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -0.134 6.501 -17.759 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.193 6.976 -18.801 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.930 6.656 -21.352 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -2.376 6.295 -18.615 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -0.659 7.019 -23.220 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -3.955 6.625 -20.508 1.00 25.00 H new ATOM 0 HH TYR A 14 -4.162 7.048 -22.726 1.00 25.00 H new ATOM 202 N GLN A 15 0.503 4.208 -16.327 1.00 25.00 N ATOM 203 CA GLN A 15 0.822 3.880 -14.955 1.00 25.00 C ATOM 204 C GLN A 15 1.643 2.612 -14.926 1.00 25.00 C ATOM 205 O GLN A 15 2.609 2.528 -14.204 1.00 25.00 O ATOM 206 CB GLN A 15 -0.416 3.694 -14.123 1.00 25.00 C ATOM 207 CG GLN A 15 -1.419 4.843 -14.236 1.00 25.00 C ATOM 208 CD GLN A 15 -1.817 5.390 -12.891 1.00 25.00 C ATOM 209 OE1 GLN A 15 -1.311 6.394 -12.449 1.00 25.00 O ATOM 210 NE2 GLN A 15 -2.736 4.712 -12.237 1.00 25.00 N ATOM 0 H GLN A 15 -0.491 4.157 -16.552 1.00 25.00 H new ATOM 0 HA GLN A 15 1.387 4.710 -14.531 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.906 2.767 -14.421 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.126 3.580 -13.079 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -0.986 5.643 -14.837 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -2.308 4.495 -14.762 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -3.137 3.869 -12.648 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -3.047 5.030 -11.319 1.00 25.00 H new ATOM 219 N LEU A 16 1.269 1.643 -15.744 1.00 25.00 N ATOM 220 CA LEU A 16 1.987 0.379 -15.771 1.00 25.00 C ATOM 221 C LEU A 16 3.409 0.538 -16.281 1.00 25.00 C ATOM 222 O LEU A 16 4.351 0.064 -15.673 1.00 25.00 O ATOM 223 CB LEU A 16 1.193 -0.623 -16.628 1.00 25.00 C ATOM 224 CG LEU A 16 -0.129 -1.088 -16.019 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.853 -1.900 -17.092 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.038 -1.908 -14.757 1.00 25.00 C ATOM 0 H LEU A 16 0.483 1.704 -16.391 1.00 25.00 H new ATOM 0 HA LEU A 16 2.073 0.002 -14.752 1.00 25.00 H new ATOM 0 HB2 LEU A 16 0.989 -0.168 -17.597 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.818 -1.497 -16.812 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.701 -0.212 -15.714 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.806 -2.254 -16.699 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.031 -1.272 -17.965 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.239 -2.754 -17.378 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.942 -2.202 -14.382 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.625 -2.800 -14.977 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.552 -1.313 -14.002 1.00 25.00 H new ATOM 238 N GLU A 17 3.593 1.244 -17.386 1.00 25.00 N ATOM 239 CA GLU A 17 4.932 1.458 -17.938 1.00 25.00 C ATOM 240 C GLU A 17 5.783 2.368 -17.044 1.00 25.00 C ATOM 241 O GLU A 17 6.994 2.307 -17.067 1.00 25.00 O ATOM 242 CB GLU A 17 4.869 1.991 -19.372 1.00 25.00 C ATOM 243 CG GLU A 17 4.395 3.403 -19.558 1.00 25.00 C ATOM 244 CD GLU A 17 5.545 4.377 -19.741 1.00 25.00 C ATOM 245 OE1 GLU A 17 6.344 4.278 -20.633 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.550 5.362 -18.909 1.00 25.00 O ATOM 0 H GLU A 17 2.840 1.678 -17.919 1.00 25.00 H new ATOM 0 HA GLU A 17 5.422 0.485 -17.967 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.865 1.909 -19.807 1.00 25.00 H new ATOM 0 HB3 GLU A 17 4.215 1.336 -19.947 1.00 25.00 H new ATOM 0 HG2 GLU A 17 3.738 3.452 -20.427 1.00 25.00 H new ATOM 0 HG3 GLU A 17 3.803 3.702 -18.693 1.00 25.00 H new ATOM 254 N ASN A 18 5.139 3.178 -16.219 1.00 25.00 N ATOM 255 CA ASN A 18 5.870 3.931 -15.188 1.00 25.00 C ATOM 256 C ASN A 18 6.486 3.025 -14.129 1.00 25.00 C ATOM 257 O ASN A 18 7.409 3.413 -13.434 1.00 25.00 O ATOM 258 CB ASN A 18 4.955 4.926 -14.474 1.00 25.00 C ATOM 259 CG ASN A 18 4.673 6.157 -15.290 1.00 25.00 C ATOM 260 OD1 ASN A 18 5.211 6.347 -16.346 1.00 25.00 O ATOM 261 ND2 ASN A 18 3.821 7.012 -14.784 1.00 25.00 N ATOM 0 H ASN A 18 4.131 3.336 -16.233 1.00 25.00 H new ATOM 0 HA ASN A 18 6.665 4.455 -15.719 1.00 25.00 H new ATOM 0 HB2 ASN A 18 4.013 4.435 -14.231 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.414 5.220 -13.530 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.597 7.869 -15.290 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.381 6.821 -13.884 1.00 25.00 H new ATOM 268 N TYR A 19 5.956 1.811 -13.984 1.00 25.00 N ATOM 269 CA TYR A 19 6.462 0.867 -12.970 1.00 25.00 C ATOM 270 C TYR A 19 7.556 0.030 -13.632 1.00 25.00 C ATOM 271 O TYR A 19 8.181 -0.819 -12.983 1.00 25.00 O ATOM 272 CB TYR A 19 5.377 -0.098 -12.447 1.00 25.00 C ATOM 273 CG TYR A 19 4.079 0.516 -11.995 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.008 1.842 -11.521 1.00 25.00 C ATOM 275 CD2 TYR A 19 2.901 -0.239 -12.022 1.00 25.00 C ATOM 276 CE1 TYR A 19 2.760 2.410 -11.106 1.00 25.00 C ATOM 277 CE2 TYR A 19 1.654 0.316 -11.607 1.00 25.00 C ATOM 278 CZ TYR A 19 1.603 1.632 -11.167 1.00 25.00 C ATOM 279 OH TYR A 19 0.407 2.112 -10.774 1.00 25.00 O ATOM 0 H TYR A 19 5.184 1.454 -14.547 1.00 25.00 H new ATOM 0 HA TYR A 19 6.821 1.447 -12.120 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.155 -0.818 -13.235 1.00 25.00 H new ATOM 0 HB3 TYR A 19 5.796 -0.659 -11.611 1.00 25.00 H new ATOM 0 HD1 TYR A 19 4.907 2.438 -11.470 1.00 25.00 H new ATOM 0 HD2 TYR A 19 2.937 -1.263 -12.364 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.715 3.429 -10.750 1.00 25.00 H new ATOM 0 HE2 TYR A 19 0.756 -0.283 -11.635 1.00 25.00 H new ATOM 0 HH TYR A 19 -0.278 1.421 -10.893 1.00 25.00 H new ATOM 289 N CYS A 20 7.757 0.234 -14.918 1.00 25.00 N ATOM 290 CA CYS A 20 8.738 -0.504 -15.692 1.00 25.00 C ATOM 291 C CYS A 20 10.121 0.044 -15.350 1.00 25.00 C ATOM 292 O CYS A 20 10.272 1.144 -14.830 1.00 25.00 O ATOM 293 CB CYS A 20 8.446 -0.365 -17.179 1.00 25.00 C ATOM 294 SG CYS A 20 9.120 -1.711 -18.220 1.00 25.00 S ATOM 0 H CYS A 20 7.239 0.924 -15.462 1.00 25.00 H new ATOM 0 HA CYS A 20 8.696 -1.566 -15.449 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.366 -0.321 -17.321 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.853 0.584 -17.528 1.00 25.00 H new ATOM 299 N ASN A 21 11.133 -0.727 -15.699 1.00 25.00 N ATOM 300 CA ASN A 21 12.506 -0.279 -15.504 1.00 25.00 C ATOM 301 C ASN A 21 13.127 0.176 -16.835 1.00 25.00 C ATOM 302 O ASN A 21 13.389 -0.569 -17.737 1.00 25.00 O ATOM 303 CB ASN A 21 13.370 -1.330 -14.778 1.00 25.00 C ATOM 304 CG ASN A 21 14.543 -0.639 -14.187 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.349 0.011 -14.823 1.00 25.00 O ATOM 306 ND2 ASN A 21 14.638 -0.729 -12.870 1.00 25.00 N ATOM 307 OXT ASN A 21 13.288 1.479 -16.917 1.00 25.00 O ATOM 0 H ASN A 21 11.038 -1.654 -16.113 1.00 25.00 H new ATOM 0 HA ASN A 21 12.478 0.587 -14.843 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.790 -1.827 -14.000 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.695 -2.102 -15.475 1.00 25.00 H new ATOM 0 HD21 ASN A 21 15.393 -0.250 -12.379 1.00 25.00 H new ATOM 0 HD22 ASN A 21 13.956 -1.277 -12.346 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -4.785 -1.915 -26.198 1.00 25.00 N ATOM 317 CA PHE B 1 -4.746 -2.018 -24.724 1.00 25.00 C ATOM 318 C PHE B 1 -6.113 -1.850 -24.056 1.00 25.00 C ATOM 319 O PHE B 1 -6.945 -1.076 -24.481 1.00 25.00 O ATOM 320 CB PHE B 1 -3.782 -0.949 -24.184 1.00 25.00 C ATOM 321 CG PHE B 1 -3.570 -1.034 -22.689 1.00 25.00 C ATOM 322 CD1 PHE B 1 -2.550 -1.852 -22.176 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.388 -0.323 -21.794 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.351 -1.954 -20.794 1.00 25.00 C ATOM 325 CE2 PHE B 1 -4.166 -0.411 -20.422 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.168 -1.236 -19.926 1.00 25.00 C ATOM 0 H1 PHE B 1 -3.826 -2.039 -26.580 1.00 25.00 H new ATOM 0 H2 PHE B 1 -5.408 -2.654 -26.581 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.149 -0.980 -26.471 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.409 -3.026 -24.482 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -2.820 -1.050 -24.687 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.170 0.039 -24.433 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.915 -2.406 -22.852 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.191 0.293 -22.171 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -1.568 -2.587 -20.404 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.774 0.166 -19.741 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.024 -1.322 -18.859 1.00 25.00 H new ATOM 337 N VAL B 2 -6.334 -2.590 -22.961 1.00 25.00 N ATOM 338 CA VAL B 2 -7.557 -2.473 -22.168 1.00 25.00 C ATOM 339 C VAL B 2 -7.183 -2.226 -20.699 1.00 25.00 C ATOM 340 O VAL B 2 -6.386 -2.966 -20.104 1.00 25.00 O ATOM 341 CB VAL B 2 -8.492 -3.738 -22.339 1.00 25.00 C ATOM 342 CG1 VAL B 2 -7.797 -5.044 -21.930 1.00 25.00 C ATOM 343 CG2 VAL B 2 -9.818 -3.538 -21.562 1.00 25.00 C ATOM 0 H VAL B 2 -5.673 -3.281 -22.605 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.135 -1.623 -22.530 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.720 -3.832 -23.401 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -8.483 -5.880 -22.067 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -6.913 -5.195 -22.549 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -7.501 -4.986 -20.883 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -10.450 -4.417 -21.689 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -9.602 -3.397 -20.503 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.336 -2.659 -21.946 1.00 25.00 H new ATOM 353 N ASN B 3 -7.690 -1.116 -20.167 1.00 25.00 N ATOM 354 CA ASN B 3 -7.359 -0.664 -18.811 1.00 25.00 C ATOM 355 C ASN B 3 -8.292 -1.336 -17.790 1.00 25.00 C ATOM 356 O ASN B 3 -9.499 -1.287 -17.908 1.00 25.00 O ATOM 357 CB ASN B 3 -7.483 0.869 -18.739 1.00 25.00 C ATOM 358 CG ASN B 3 -8.785 1.407 -19.363 1.00 25.00 C ATOM 359 OD1 ASN B 3 -9.010 1.253 -20.550 1.00 25.00 O ATOM 360 ND2 ASN B 3 -9.579 2.090 -18.594 1.00 25.00 N ATOM 0 H ASN B 3 -8.340 -0.504 -20.659 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.334 -0.945 -18.571 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.432 1.182 -17.696 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.631 1.319 -19.249 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -10.421 2.517 -18.981 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.360 2.199 -17.604 1.00 25.00 H new ATOM 367 N GLN B 4 -7.706 -2.035 -16.810 1.00 25.00 N ATOM 368 CA GLN B 4 -8.505 -2.842 -15.856 1.00 25.00 C ATOM 369 C GLN B 4 -8.007 -2.740 -14.409 1.00 25.00 C ATOM 370 O GLN B 4 -6.942 -2.176 -14.154 1.00 25.00 O ATOM 371 CB GLN B 4 -8.450 -4.332 -16.248 1.00 25.00 C ATOM 372 CG GLN B 4 -8.971 -4.671 -17.657 1.00 25.00 C ATOM 373 CD GLN B 4 -9.175 -6.160 -17.828 1.00 25.00 C ATOM 374 OE1 GLN B 4 -10.208 -6.688 -17.467 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.187 -6.832 -18.367 1.00 25.00 N ATOM 0 H GLN B 4 -6.699 -2.064 -16.651 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.517 -2.441 -15.908 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -7.417 -4.671 -16.171 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.028 -4.902 -15.520 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -9.913 -4.151 -17.833 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -8.264 -4.311 -18.404 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -7.338 -6.347 -18.655 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.268 -7.840 -18.498 1.00 25.00 H new ATOM 384 N HIS B 5 -8.777 -3.299 -13.481 1.00 25.00 N ATOM 385 CA HIS B 5 -8.349 -3.439 -12.096 1.00 25.00 C ATOM 386 C HIS B 5 -7.391 -4.612 -12.034 1.00 25.00 C ATOM 387 O HIS B 5 -7.664 -5.653 -12.623 1.00 25.00 O ATOM 388 CB HIS B 5 -9.572 -3.780 -11.215 1.00 25.00 C ATOM 389 CG HIS B 5 -10.539 -2.641 -11.054 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.322 -1.591 -10.179 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.747 -2.362 -11.634 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.341 -0.748 -10.258 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.205 -1.198 -11.128 1.00 25.00 N ATOM 0 H HIS B 5 -9.710 -3.666 -13.668 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.884 -2.517 -11.747 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.096 -4.631 -11.651 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.223 -4.091 -10.230 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.509 -1.484 -9.572 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.249 -2.971 -12.372 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.441 0.167 -9.692 1.00 25.00 H new ATOM 402 N LEU B 6 -6.279 -4.444 -11.352 1.00 25.00 N ATOM 403 CA LEU B 6 -5.238 -5.511 -11.264 1.00 25.00 C ATOM 404 C LEU B 6 -4.748 -5.705 -9.835 1.00 25.00 C ATOM 405 O LEU B 6 -4.322 -4.745 -9.218 1.00 25.00 O ATOM 406 CB LEU B 6 -4.016 -5.095 -12.118 1.00 25.00 C ATOM 407 CG LEU B 6 -4.241 -4.639 -13.580 1.00 25.00 C ATOM 408 CD1 LEU B 6 -2.909 -4.173 -14.123 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.776 -5.711 -14.528 1.00 25.00 C ATOM 0 H LEU B 6 -6.049 -3.591 -10.843 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.687 -6.439 -11.619 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.510 -4.284 -11.595 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.327 -5.939 -12.139 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.004 -3.862 -13.540 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.032 -3.844 -15.155 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.540 -3.344 -13.519 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.194 -4.995 -14.087 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.897 -5.287 -15.525 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.073 -6.543 -14.570 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.740 -6.069 -14.166 1.00 25.00 H new ATOM 421 N CYS B 7 -4.803 -6.922 -9.297 1.00 25.00 N ATOM 422 CA CYS B 7 -4.409 -7.142 -7.900 1.00 25.00 C ATOM 423 C CYS B 7 -3.188 -8.087 -7.746 1.00 25.00 C ATOM 424 O CYS B 7 -2.115 -7.672 -7.385 1.00 25.00 O ATOM 425 CB CYS B 7 -5.609 -7.696 -7.097 1.00 25.00 C ATOM 426 SG CYS B 7 -5.929 -6.803 -5.541 1.00 25.00 S ATOM 0 H CYS B 7 -5.110 -7.759 -9.793 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.104 -6.173 -7.505 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.502 -7.652 -7.720 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -5.429 -8.747 -6.871 1.00 25.00 H new ATOM 431 N GLY B 8 -3.394 -9.379 -8.047 1.00 25.00 N ATOM 432 CA GLY B 8 -2.343 -10.365 -7.926 1.00 25.00 C ATOM 433 C GLY B 8 -1.594 -10.602 -9.207 1.00 25.00 C ATOM 434 O GLY B 8 -1.059 -9.683 -9.805 1.00 25.00 O ATOM 0 H GLY B 8 -4.285 -9.752 -8.375 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -1.640 -10.043 -7.158 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -2.776 -11.306 -7.588 1.00 25.00 H new ATOM 438 N SER B 9 -1.649 -11.833 -9.711 1.00 25.00 N ATOM 439 CA SER B 9 -0.964 -12.227 -10.954 1.00 25.00 C ATOM 440 C SER B 9 -1.289 -11.374 -12.180 1.00 25.00 C ATOM 441 O SER B 9 -0.505 -11.280 -13.129 1.00 25.00 O ATOM 442 CB SER B 9 -1.310 -13.676 -11.250 1.00 25.00 C ATOM 443 OG SER B 9 -1.468 -14.383 -10.045 1.00 25.00 O ATOM 0 H SER B 9 -2.170 -12.592 -9.272 1.00 25.00 H new ATOM 0 HA SER B 9 0.100 -12.076 -10.774 1.00 25.00 H new ATOM 0 HB2 SER B 9 -2.228 -13.728 -11.836 1.00 25.00 H new ATOM 0 HB3 SER B 9 -0.523 -14.132 -11.850 1.00 25.00 H new ATOM 0 HG SER B 9 -1.693 -15.317 -10.241 1.00 25.00 H new ATOM 449 N HIS B 10 -2.418 -10.683 -12.126 1.00 25.00 N ATOM 450 CA HIS B 10 -2.786 -9.749 -13.201 1.00 25.00 C ATOM 451 C HIS B 10 -1.789 -8.592 -13.339 1.00 25.00 C ATOM 452 O HIS B 10 -1.617 -8.079 -14.435 1.00 25.00 O ATOM 453 CB HIS B 10 -4.179 -9.164 -12.896 1.00 25.00 C ATOM 454 CG HIS B 10 -5.263 -9.766 -13.731 1.00 25.00 C ATOM 455 ND1 HIS B 10 -5.822 -9.137 -14.844 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.911 -10.978 -13.657 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.748 -9.934 -15.375 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.810 -11.046 -14.678 1.00 25.00 N ATOM 0 H HIS B 10 -3.093 -10.743 -11.364 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.782 -10.306 -14.138 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.410 -9.322 -11.842 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.158 -8.087 -13.060 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -5.736 -11.744 -12.916 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.351 -9.703 -16.240 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -7.431 -11.832 -14.870 1.00 25.00 H new ATOM 467 N LEU B 11 -1.194 -8.148 -12.236 1.00 25.00 N ATOM 468 CA LEU B 11 -0.285 -7.008 -12.269 1.00 25.00 C ATOM 469 C LEU B 11 1.015 -7.373 -12.977 1.00 25.00 C ATOM 470 O LEU B 11 1.392 -6.693 -13.909 1.00 25.00 O ATOM 471 CB LEU B 11 0.009 -6.529 -10.843 1.00 25.00 C ATOM 472 CG LEU B 11 -0.384 -5.086 -10.540 1.00 25.00 C ATOM 473 CD1 LEU B 11 -0.785 -4.952 -9.076 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.749 -4.094 -10.859 1.00 25.00 C ATOM 0 H LEU B 11 -1.324 -8.559 -11.312 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.764 -6.202 -12.825 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -0.512 -7.183 -10.144 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.076 -6.644 -10.653 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.229 -4.839 -11.182 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -1.064 -3.919 -8.868 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -1.633 -5.605 -8.870 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.055 -5.236 -8.441 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.421 -3.081 -10.627 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.626 -4.338 -10.259 1.00 25.00 H new ATOM 0 HD23 LEU B 11 1.003 -4.160 -11.917 1.00 25.00 H new ATOM 486 N VAL B 12 1.620 -8.475 -12.587 1.00 25.00 N ATOM 487 CA VAL B 12 2.856 -8.939 -13.252 1.00 25.00 C ATOM 488 C VAL B 12 2.616 -9.241 -14.743 1.00 25.00 C ATOM 489 O VAL B 12 3.438 -8.881 -15.600 1.00 25.00 O ATOM 490 CB VAL B 12 3.542 -10.173 -12.481 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.447 -11.180 -11.987 1.00 25.00 C ATOM 492 CG2 VAL B 12 4.562 -10.927 -13.380 1.00 25.00 C ATOM 0 H VAL B 12 1.295 -9.071 -11.825 1.00 25.00 H new ATOM 0 HA VAL B 12 3.571 -8.118 -13.203 1.00 25.00 H new ATOM 0 HB VAL B 12 4.081 -9.759 -11.628 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.924 -12.010 -11.467 1.00 25.00 H new ATOM 0 HG12 VAL B 12 1.764 -10.670 -11.307 1.00 25.00 H new ATOM 0 HG13 VAL B 12 1.890 -11.560 -12.843 1.00 25.00 H new ATOM 0 HG21 VAL B 12 5.001 -11.752 -12.819 1.00 25.00 H new ATOM 0 HG22 VAL B 12 4.052 -11.317 -14.261 1.00 25.00 H new ATOM 0 HG23 VAL B 12 5.349 -10.241 -13.691 1.00 25.00 H new ATOM 502 N GLU B 13 1.486 -9.859 -15.039 1.00 25.00 N ATOM 503 CA GLU B 13 1.135 -10.132 -16.431 1.00 25.00 C ATOM 504 C GLU B 13 0.989 -8.835 -17.224 1.00 25.00 C ATOM 505 O GLU B 13 1.484 -8.726 -18.331 1.00 25.00 O ATOM 506 CB GLU B 13 -0.179 -10.886 -16.509 1.00 25.00 C ATOM 507 CG GLU B 13 -0.048 -12.388 -16.187 1.00 25.00 C ATOM 508 CD GLU B 13 -1.382 -13.074 -16.093 1.00 25.00 C ATOM 509 OE1 GLU B 13 -2.446 -12.486 -16.070 1.00 25.00 O ATOM 510 OE2 GLU B 13 -1.279 -14.358 -15.926 1.00 25.00 O ATOM 0 H GLU B 13 0.803 -10.178 -14.352 1.00 25.00 H new ATOM 0 HA GLU B 13 1.939 -10.733 -16.857 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.889 -10.435 -15.816 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.595 -10.772 -17.510 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.552 -12.871 -16.958 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.487 -12.509 -15.245 1.00 25.00 H new ATOM 518 N ALA B 14 0.340 -7.821 -16.655 1.00 25.00 N ATOM 519 CA ALA B 14 0.155 -6.564 -17.372 1.00 25.00 C ATOM 520 C ALA B 14 1.470 -5.823 -17.559 1.00 25.00 C ATOM 521 O ALA B 14 1.687 -5.195 -18.595 1.00 25.00 O ATOM 522 CB ALA B 14 -0.837 -5.693 -16.608 1.00 25.00 C ATOM 0 H ALA B 14 -0.060 -7.844 -15.717 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.234 -6.789 -18.365 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.979 -4.752 -17.139 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.792 -6.213 -16.529 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.450 -5.491 -15.609 1.00 25.00 H new ATOM 528 N LEU B 15 2.355 -5.927 -16.582 1.00 25.00 N ATOM 529 CA LEU B 15 3.672 -5.272 -16.685 1.00 25.00 C ATOM 530 C LEU B 15 4.517 -5.992 -17.715 1.00 25.00 C ATOM 531 O LEU B 15 5.215 -5.359 -18.480 1.00 25.00 O ATOM 532 CB LEU B 15 4.391 -5.278 -15.331 1.00 25.00 C ATOM 533 CG LEU B 15 3.751 -4.397 -14.236 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.534 -4.490 -12.946 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.687 -2.948 -14.735 1.00 25.00 C ATOM 0 H LEU B 15 2.201 -6.447 -15.718 1.00 25.00 H new ATOM 0 HA LEU B 15 3.522 -4.237 -16.991 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.436 -6.305 -14.967 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.419 -4.949 -15.483 1.00 25.00 H new ATOM 0 HG LEU B 15 2.741 -4.752 -14.031 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.065 -3.861 -12.189 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.546 -5.524 -12.602 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.556 -4.152 -13.116 1.00 25.00 H new ATOM 0 HD21 LEU B 15 3.236 -2.319 -13.968 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.695 -2.592 -14.950 1.00 25.00 H new ATOM 0 HD23 LEU B 15 3.085 -2.902 -15.642 1.00 25.00 H new ATOM 547 N TYR B 16 4.388 -7.310 -17.807 1.00 25.00 N ATOM 548 CA TYR B 16 5.067 -8.084 -18.840 1.00 25.00 C ATOM 549 C TYR B 16 4.579 -7.639 -20.206 1.00 25.00 C ATOM 550 O TYR B 16 5.373 -7.445 -21.124 1.00 25.00 O ATOM 551 CB TYR B 16 4.820 -9.584 -18.651 1.00 25.00 C ATOM 552 CG TYR B 16 5.203 -10.413 -19.835 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.553 -10.727 -20.098 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.208 -10.920 -20.702 1.00 25.00 C ATOM 555 CE1 TYR B 16 6.914 -11.513 -21.217 1.00 25.00 C ATOM 556 CE2 TYR B 16 4.565 -11.702 -21.820 1.00 25.00 C ATOM 557 CZ TYR B 16 5.902 -11.993 -22.073 1.00 25.00 C ATOM 558 OH TYR B 16 6.215 -12.759 -23.159 1.00 25.00 O ATOM 0 H TYR B 16 3.815 -7.869 -17.174 1.00 25.00 H new ATOM 0 HA TYR B 16 6.140 -7.908 -18.762 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.380 -9.928 -17.782 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.764 -9.744 -18.433 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.323 -10.361 -19.435 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.167 -10.707 -20.507 1.00 25.00 H new ATOM 0 HE1 TYR B 16 7.951 -11.742 -21.413 1.00 25.00 H new ATOM 0 HE2 TYR B 16 3.798 -12.076 -22.482 1.00 25.00 H new ATOM 0 HH TYR B 16 5.394 -13.002 -23.635 1.00 25.00 H new ATOM 568 N LEU B 17 3.275 -7.442 -20.335 1.00 25.00 N ATOM 569 CA LEU B 17 2.699 -7.019 -21.625 1.00 25.00 C ATOM 570 C LEU B 17 3.148 -5.618 -22.029 1.00 25.00 C ATOM 571 O LEU B 17 3.432 -5.393 -23.197 1.00 25.00 O ATOM 572 CB LEU B 17 1.149 -7.065 -21.570 1.00 25.00 C ATOM 573 CG LEU B 17 0.592 -8.497 -21.563 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.882 -8.463 -21.133 1.00 25.00 C ATOM 575 CD2 LEU B 17 0.711 -9.129 -22.952 1.00 25.00 C ATOM 0 H LEU B 17 2.597 -7.563 -19.583 1.00 25.00 H new ATOM 0 HA LEU B 17 3.064 -7.719 -22.376 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.807 -6.543 -20.676 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.744 -6.527 -22.427 1.00 25.00 H new ATOM 0 HG LEU B 17 1.169 -9.098 -20.861 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.283 -9.477 -21.126 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.960 -8.036 -20.133 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.451 -7.853 -21.834 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.311 -10.143 -22.926 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.147 -8.535 -23.671 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.759 -9.160 -23.249 1.00 25.00 H new ATOM 587 N VAL B 18 3.192 -4.675 -21.093 1.00 25.00 N ATOM 588 CA VAL B 18 3.579 -3.303 -21.420 1.00 25.00 C ATOM 589 C VAL B 18 5.112 -3.116 -21.569 1.00 25.00 C ATOM 590 O VAL B 18 5.556 -2.268 -22.353 1.00 25.00 O ATOM 591 CB VAL B 18 2.988 -2.289 -20.347 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.923 -2.091 -19.126 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.703 -0.954 -21.004 1.00 25.00 C ATOM 0 H VAL B 18 2.967 -4.831 -20.110 1.00 25.00 H new ATOM 0 HA VAL B 18 3.150 -3.084 -22.398 1.00 25.00 H new ATOM 0 HB VAL B 18 2.063 -2.726 -19.970 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.467 -1.389 -18.428 1.00 25.00 H new ATOM 0 HG12 VAL B 18 4.079 -3.048 -18.628 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.882 -1.697 -19.462 1.00 25.00 H new ATOM 0 HG21 VAL B 18 2.298 -0.263 -20.264 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.627 -0.546 -21.414 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.979 -1.091 -21.807 1.00 25.00 H new ATOM 603 N CYS B 19 5.907 -3.896 -20.872 1.00 25.00 N ATOM 604 CA CYS B 19 7.375 -3.757 -20.937 1.00 25.00 C ATOM 605 C CYS B 19 7.958 -4.628 -22.024 1.00 25.00 C ATOM 606 O CYS B 19 9.139 -4.479 -22.396 1.00 25.00 O ATOM 607 CB CYS B 19 8.027 -4.173 -19.603 1.00 25.00 C ATOM 608 SG CYS B 19 7.630 -3.101 -18.183 1.00 25.00 S ATOM 0 H CYS B 19 5.580 -4.636 -20.251 1.00 25.00 H new ATOM 0 HA CYS B 19 7.582 -2.708 -21.148 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.718 -5.192 -19.367 1.00 25.00 H new ATOM 0 HB3 CYS B 19 9.109 -4.190 -19.735 1.00 25.00 H new ATOM 613 N GLY B 20 7.173 -5.598 -22.482 1.00 25.00 N ATOM 614 CA GLY B 20 7.655 -6.521 -23.484 1.00 25.00 C ATOM 615 C GLY B 20 8.855 -7.276 -22.925 1.00 25.00 C ATOM 616 O GLY B 20 8.809 -7.828 -21.825 1.00 25.00 O ATOM 0 H GLY B 20 6.213 -5.758 -22.175 1.00 25.00 H new ATOM 0 HA2 GLY B 20 6.867 -7.220 -23.763 1.00 25.00 H new ATOM 0 HA3 GLY B 20 7.937 -5.982 -24.388 1.00 25.00 H new ATOM 620 N GLU B 21 9.936 -7.277 -23.705 1.00 25.00 N ATOM 621 CA GLU B 21 11.162 -7.970 -23.330 1.00 25.00 C ATOM 622 C GLU B 21 11.933 -7.327 -22.175 1.00 25.00 C ATOM 623 O GLU B 21 12.849 -7.974 -21.633 1.00 25.00 O ATOM 624 CB GLU B 21 12.073 -7.999 -24.551 1.00 25.00 C ATOM 625 CG GLU B 21 11.492 -8.748 -25.760 1.00 25.00 C ATOM 626 CD GLU B 21 11.841 -8.075 -27.069 1.00 25.00 C ATOM 627 OE1 GLU B 21 12.973 -7.765 -27.380 1.00 25.00 O ATOM 628 OE2 GLU B 21 10.806 -7.843 -27.819 1.00 25.00 O ATOM 0 H GLU B 21 9.984 -6.801 -24.606 1.00 25.00 H new ATOM 0 HA GLU B 21 10.867 -8.962 -22.986 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.296 -6.974 -24.847 1.00 25.00 H new ATOM 0 HB3 GLU B 21 13.019 -8.463 -24.272 1.00 25.00 H new ATOM 0 HG2 GLU B 21 11.869 -9.771 -25.767 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.408 -8.808 -25.662 1.00 25.00 H new ATOM 636 N ARG B 22 11.595 -6.116 -21.754 1.00 25.00 N ATOM 637 CA ARG B 22 12.351 -5.472 -20.657 1.00 25.00 C ATOM 638 C ARG B 22 12.022 -6.067 -19.306 1.00 25.00 C ATOM 639 O ARG B 22 12.901 -6.134 -18.444 1.00 25.00 O ATOM 640 CB ARG B 22 12.035 -3.971 -20.597 1.00 25.00 C ATOM 641 CG ARG B 22 12.736 -3.120 -21.658 1.00 25.00 C ATOM 642 CD ARG B 22 14.268 -3.008 -21.364 1.00 25.00 C ATOM 643 NE ARG B 22 14.565 -2.360 -20.075 1.00 25.00 N ATOM 644 CZ ARG B 22 15.691 -2.513 -19.378 1.00 25.00 C ATOM 645 NH1 ARG B 22 16.658 -3.304 -19.752 1.00 25.00 N ATOM 646 NH2 ARG B 22 15.845 -1.832 -18.289 1.00 25.00 N ATOM 0 H ARG B 22 10.827 -5.562 -22.134 1.00 25.00 H new ATOM 0 HA ARG B 22 13.406 -5.640 -20.873 1.00 25.00 H new ATOM 0 HB2 ARG B 22 10.958 -3.837 -20.699 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.311 -3.596 -19.611 1.00 25.00 H new ATOM 0 HG2 ARG B 22 12.582 -3.561 -22.643 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.293 -2.124 -21.682 1.00 25.00 H new ATOM 0 HD2 ARG B 22 14.707 -4.006 -21.371 1.00 25.00 H new ATOM 0 HD3 ARG B 22 14.745 -2.444 -22.165 1.00 25.00 H new ATOM 0 HE ARG B 22 13.852 -1.745 -19.684 1.00 25.00 H new ATOM 0 HH11 ARG B 22 16.572 -3.841 -20.615 1.00 25.00 H new ATOM 0 HH12 ARG B 22 17.500 -3.385 -19.182 1.00 25.00 H new ATOM 0 HH21 ARG B 22 15.113 -1.193 -17.979 1.00 25.00 H new ATOM 0 HH22 ARG B 22 16.699 -1.934 -17.740 1.00 25.00 H new ATOM 660 N GLY B 23 10.786 -6.479 -19.106 1.00 25.00 N ATOM 661 CA GLY B 23 10.358 -6.928 -17.797 1.00 25.00 C ATOM 662 C GLY B 23 10.363 -5.751 -16.848 1.00 25.00 C ATOM 663 O GLY B 23 10.408 -4.605 -17.278 1.00 25.00 O ATOM 0 H GLY B 23 10.065 -6.512 -19.827 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.359 -7.361 -17.855 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.023 -7.710 -17.431 1.00 25.00 H new ATOM 667 N PHE B 24 10.301 -6.008 -15.557 1.00 25.00 N ATOM 668 CA PHE B 24 10.272 -4.952 -14.551 1.00 25.00 C ATOM 669 C PHE B 24 11.046 -5.477 -13.361 1.00 25.00 C ATOM 670 O PHE B 24 11.418 -6.647 -13.357 1.00 25.00 O ATOM 671 CB PHE B 24 8.812 -4.627 -14.164 1.00 25.00 C ATOM 672 CG PHE B 24 8.061 -5.806 -13.609 1.00 25.00 C ATOM 673 CD1 PHE B 24 7.415 -6.717 -14.462 1.00 25.00 C ATOM 674 CD2 PHE B 24 7.996 -6.010 -12.217 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.722 -7.826 -13.940 1.00 25.00 C ATOM 676 CE2 PHE B 24 7.298 -7.120 -11.688 1.00 25.00 C ATOM 677 CZ PHE B 24 6.670 -8.038 -12.543 1.00 25.00 C ATOM 0 H PHE B 24 10.269 -6.951 -15.171 1.00 25.00 H new ATOM 0 HA PHE B 24 10.716 -4.029 -14.923 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.810 -3.825 -13.426 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.287 -4.253 -15.043 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.450 -6.565 -15.531 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.482 -5.314 -11.549 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.229 -8.516 -14.608 1.00 25.00 H new ATOM 0 HE2 PHE B 24 7.248 -7.262 -10.619 1.00 25.00 H new ATOM 0 HZ PHE B 24 6.153 -8.896 -12.139 1.00 25.00 H new ATOM 687 N PHE B 25 11.245 -4.666 -12.344 1.00 25.00 N ATOM 688 CA PHE B 25 12.000 -5.076 -11.182 1.00 25.00 C ATOM 689 C PHE B 25 11.147 -5.029 -9.938 1.00 25.00 C ATOM 690 O PHE B 25 10.701 -3.973 -9.502 1.00 25.00 O ATOM 691 CB PHE B 25 13.233 -4.162 -11.020 1.00 25.00 C ATOM 692 CG PHE B 25 14.222 -4.636 -9.974 1.00 25.00 C ATOM 693 CD1 PHE B 25 15.102 -5.709 -10.239 1.00 25.00 C ATOM 694 CD2 PHE B 25 14.275 -4.005 -8.707 1.00 25.00 C ATOM 695 CE1 PHE B 25 16.062 -6.123 -9.270 1.00 25.00 C ATOM 696 CE2 PHE B 25 15.218 -4.399 -7.753 1.00 25.00 C ATOM 697 CZ PHE B 25 16.111 -5.453 -8.023 1.00 25.00 C ATOM 0 H PHE B 25 10.890 -3.711 -12.300 1.00 25.00 H new ATOM 0 HA PHE B 25 12.328 -6.106 -11.324 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.744 -4.086 -11.980 1.00 25.00 H new ATOM 0 HB3 PHE B 25 12.896 -3.159 -10.758 1.00 25.00 H new ATOM 0 HD1 PHE B 25 15.047 -6.222 -11.188 1.00 25.00 H new ATOM 0 HD2 PHE B 25 13.580 -3.211 -8.476 1.00 25.00 H new ATOM 0 HE1 PHE B 25 16.741 -6.935 -9.483 1.00 25.00 H new ATOM 0 HE2 PHE B 25 15.262 -3.891 -6.801 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.834 -5.751 -7.279 1.00 25.00 H new HETATM 707 N NVA B 26 10.967 -6.228 -9.339 1.00 25.00 N HETATM 708 CA NVA B 26 10.246 -6.504 -8.041 1.00 25.00 C HETATM 709 CB NVA B 26 9.022 -7.460 -8.276 1.00 25.00 C HETATM 710 CG NVA B 26 9.438 -8.793 -8.996 1.00 25.00 C HETATM 711 CD NVA B 26 8.303 -9.877 -8.945 1.00 25.00 C HETATM 712 C NVA B 26 11.156 -7.033 -6.904 1.00 25.00 C HETATM 713 O NVA B 26 10.715 -7.513 -5.880 1.00 25.00 O HETATM 0 HG3 NVA B 26 9.687 -8.579 -10.035 1.00 25.00 H new HETATM 0 HG2 NVA B 26 10.338 -9.191 -8.528 1.00 25.00 H new HETATM 0 HD2 NVA B 26 7.410 -9.492 -9.437 1.00 25.00 H new HETATM 0 HB3 NVA B 26 8.559 -7.696 -7.318 1.00 25.00 H new HETATM 0 HB2 NVA B 26 8.271 -6.945 -8.875 1.00 25.00 H new HETATM 0 HA NVA B 26 9.886 -5.536 -7.694 1.00 25.00 H new ATOM 722 N THR B 27 12.491 -6.942 -7.185 1.00 25.00 N ATOM 723 CA THR B 27 13.644 -7.548 -6.500 1.00 25.00 C ATOM 724 C THR B 27 13.652 -9.042 -6.849 1.00 25.00 C ATOM 725 O THR B 27 12.667 -9.554 -7.386 1.00 25.00 O ATOM 726 CB THR B 27 13.654 -7.326 -4.969 1.00 25.00 C ATOM 727 OG1 THR B 27 12.736 -8.205 -4.336 1.00 25.00 O ATOM 728 CG2 THR B 27 13.346 -5.882 -4.596 1.00 25.00 C ATOM 0 H THR B 27 12.802 -6.383 -7.979 1.00 25.00 H new ATOM 0 HA THR B 27 14.552 -7.056 -6.849 1.00 25.00 H new ATOM 0 HB THR B 27 14.662 -7.545 -4.617 1.00 25.00 H new ATOM 0 HG1 THR B 27 11.832 -8.032 -4.673 1.00 25.00 H new ATOM 0 HG21 THR B 27 13.364 -5.775 -3.511 1.00 25.00 H new ATOM 0 HG22 THR B 27 14.094 -5.224 -5.038 1.00 25.00 H new ATOM 0 HG23 THR B 27 12.359 -5.612 -4.971 1.00 25.00 H new ATOM 736 N PRO B 28 14.771 -9.771 -6.634 1.00 25.00 N ATOM 737 CA PRO B 28 14.681 -11.167 -7.095 1.00 25.00 C ATOM 738 C PRO B 28 13.784 -12.076 -6.212 1.00 25.00 C ATOM 739 O PRO B 28 14.026 -12.254 -5.010 1.00 25.00 O ATOM 740 CB PRO B 28 16.137 -11.613 -7.068 1.00 25.00 C ATOM 741 CG PRO B 28 16.747 -10.785 -5.970 1.00 25.00 C ATOM 742 CD PRO B 28 16.116 -9.447 -6.127 1.00 25.00 C ATOM 0 HA PRO B 28 14.204 -11.242 -8.072 1.00 25.00 H new ATOM 0 HB2 PRO B 28 16.225 -12.679 -6.860 1.00 25.00 H new ATOM 0 HB3 PRO B 28 16.628 -11.433 -8.024 1.00 25.00 H new ATOM 0 HG2 PRO B 28 16.539 -11.210 -4.988 1.00 25.00 H new ATOM 0 HG3 PRO B 28 17.831 -10.728 -6.070 1.00 25.00 H new ATOM 0 HD2 PRO B 28 16.071 -8.908 -5.180 1.00 25.00 H new ATOM 0 HD3 PRO B 28 16.670 -8.819 -6.825 1.00 25.00 H new HETATM 750 N HIX B 29 12.774 -12.673 -6.888 1.00 25.00 N HETATM 751 CA HIX B 29 11.800 -13.634 -6.322 1.00 25.00 C HETATM 752 C HIX B 29 12.499 -14.932 -5.878 1.00 25.00 C HETATM 753 O HIX B 29 13.382 -15.453 -6.514 1.00 25.00 O HETATM 754 CB HIX B 29 10.710 -14.005 -7.347 1.00 25.00 C HETATM 755 CG HIX B 29 9.737 -12.880 -7.539 1.00 25.00 C HETATM 756 CD2 HIX B 29 9.859 -11.878 -8.470 1.00 25.00 C HETATM 757 ND1 HIX B 29 8.588 -12.641 -6.834 1.00 25.00 N HETATM 758 NE1 HIX B 29 7.870 -11.509 -7.249 1.00 25.00 N HETATM 759 NE2 HIX B 29 8.738 -11.115 -8.263 1.00 25.00 N ATOM 766 N THR B 30 12.024 -15.447 -4.725 1.00 25.00 N ATOM 767 CA THR B 30 12.461 -16.658 -4.010 1.00 25.00 C ATOM 768 C THR B 30 13.037 -17.777 -4.859 1.00 25.00 C ATOM 769 O THR B 30 13.973 -18.461 -4.524 1.00 25.00 O ATOM 770 CB THR B 30 11.329 -17.190 -3.126 1.00 25.00 C ATOM 771 OG1 THR B 30 10.409 -16.146 -2.977 1.00 25.00 O ATOM 772 CG2 THR B 30 11.847 -17.588 -1.722 1.00 25.00 C ATOM 773 OXT THR B 30 12.339 -18.039 -5.917 1.00 25.00 O ATOM 0 H THR B 30 11.260 -14.985 -4.231 1.00 25.00 H new ATOM 0 HA THR B 30 13.305 -16.321 -3.409 1.00 25.00 H new ATOM 0 HB THR B 30 10.889 -18.074 -3.587 1.00 25.00 H new ATOM 0 HG1 THR B 30 9.663 -16.445 -2.416 1.00 25.00 H new ATOM 0 HG21 THR B 30 11.018 -17.961 -1.121 1.00 25.00 H new ATOM 0 HG22 THR B 30 12.603 -18.367 -1.820 1.00 25.00 H new ATOM 0 HG23 THR B 30 12.285 -16.717 -1.235 1.00 25.00 H new TER 782 THR B 30