USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=12 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 HD2 : 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 Set 1.1: B 4 GLN : amide:sc= -1.06! K(o=-0.59!,f=-2) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.462 K(o=-0.59,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.00748 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.88) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.019 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.008 X(o=-0.008,f=-0.15) USER MOD Single : A 18 ASN : amide:sc= -0.0543 K(o=-0.054,f=-1.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0654 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= -0.155 K(o=-0.15,f=-1.1) USER MOD Single : B 5 HIS : no HE2:sc= -0.067 K(o=-0.067,f=-2.4) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -95:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.354 -1.582 -0.352 1.00 25.00 N ATOM 2 CA GLY A 1 0.701 -1.072 -1.230 1.00 25.00 C ATOM 3 C GLY A 1 0.224 -0.686 -2.606 1.00 25.00 C ATOM 4 O GLY A 1 -0.915 -0.511 -2.880 1.00 25.00 O ATOM 0 H1 GLY A 1 -0.328 -1.072 0.554 1.00 25.00 H new ATOM 0 H2 GLY A 1 -1.280 -1.440 -0.803 1.00 25.00 H new ATOM 0 H3 GLY A 1 -0.204 -2.597 -0.182 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.161 -0.203 -0.760 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.477 -1.831 -1.326 1.00 25.00 H new ATOM 9 N ILE A 2 1.179 -0.551 -3.548 1.00 25.00 N ATOM 10 CA ILE A 2 0.893 -0.169 -4.948 1.00 25.00 C ATOM 11 C ILE A 2 -0.002 -1.227 -5.657 1.00 25.00 C ATOM 12 O ILE A 2 -0.836 -0.875 -6.498 1.00 25.00 O ATOM 13 CB ILE A 2 2.252 0.096 -5.744 1.00 25.00 C ATOM 14 CG1 ILE A 2 2.000 0.942 -7.032 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.960 -1.209 -6.136 1.00 25.00 C ATOM 16 CD1 ILE A 2 1.467 2.351 -6.807 1.00 25.00 C ATOM 0 H ILE A 2 2.170 -0.703 -3.361 1.00 25.00 H new ATOM 0 HA ILE A 2 0.327 0.762 -4.939 1.00 25.00 H new ATOM 0 HB ILE A 2 2.897 0.651 -5.063 1.00 25.00 H new ATOM 0 HG12 ILE A 2 2.936 1.012 -7.586 1.00 25.00 H new ATOM 0 HG13 ILE A 2 1.294 0.404 -7.665 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.879 -0.977 -6.675 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.200 -1.777 -5.237 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.304 -1.801 -6.775 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.330 2.846 -7.768 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.511 2.299 -6.285 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.178 2.917 -6.206 1.00 25.00 H new ATOM 28 N VAL A 3 0.099 -2.472 -5.249 1.00 25.00 N ATOM 29 CA VAL A 3 -0.791 -3.536 -5.771 1.00 25.00 C ATOM 30 C VAL A 3 -2.260 -3.251 -5.447 1.00 25.00 C ATOM 31 O VAL A 3 -3.118 -3.298 -6.361 1.00 25.00 O ATOM 32 CB VAL A 3 -0.425 -4.904 -5.136 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.539 -5.946 -5.364 1.00 25.00 C ATOM 34 CG2 VAL A 3 0.947 -5.393 -5.635 1.00 25.00 C ATOM 0 H VAL A 3 0.780 -2.792 -4.560 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.654 -3.561 -6.852 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.343 -4.767 -4.058 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.251 -6.893 -4.907 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -2.466 -5.592 -4.913 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.689 -6.091 -6.434 1.00 25.00 H new ATOM 0 HG21 VAL A 3 1.180 -6.353 -5.175 1.00 25.00 H new ATOM 0 HG22 VAL A 3 0.921 -5.506 -6.719 1.00 25.00 H new ATOM 0 HG23 VAL A 3 1.713 -4.666 -5.365 1.00 25.00 H new ATOM 44 N GLU A 4 -2.549 -2.910 -4.203 1.00 25.00 N ATOM 45 CA GLU A 4 -3.903 -2.589 -3.775 1.00 25.00 C ATOM 46 C GLU A 4 -4.421 -1.357 -4.493 1.00 25.00 C ATOM 47 O GLU A 4 -5.606 -1.325 -4.847 1.00 25.00 O ATOM 48 CB GLU A 4 -3.940 -2.386 -2.257 1.00 25.00 C ATOM 49 CG GLU A 4 -4.747 -3.486 -1.546 1.00 25.00 C ATOM 50 CD GLU A 4 -4.871 -3.229 -0.074 1.00 25.00 C ATOM 51 OE1 GLU A 4 -3.973 -3.321 0.670 1.00 25.00 O ATOM 52 OE2 GLU A 4 -6.042 -2.944 0.330 1.00 25.00 O ATOM 0 H GLU A 4 -1.853 -2.847 -3.460 1.00 25.00 H new ATOM 0 HA GLU A 4 -4.554 -3.424 -4.033 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.922 -2.375 -1.868 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -4.377 -1.413 -2.032 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -5.741 -3.549 -1.988 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.265 -4.450 -1.706 1.00 25.00 H new ATOM 60 N GLN A 5 -3.565 -0.360 -4.703 1.00 25.00 N ATOM 61 CA GLN A 5 -3.920 0.876 -5.404 1.00 25.00 C ATOM 62 C GLN A 5 -4.266 0.608 -6.877 1.00 25.00 C ATOM 63 O GLN A 5 -5.128 1.244 -7.452 1.00 25.00 O ATOM 64 CB GLN A 5 -2.712 1.827 -5.354 1.00 25.00 C ATOM 65 CG GLN A 5 -2.516 2.517 -4.018 1.00 25.00 C ATOM 66 CD GLN A 5 -1.176 3.202 -4.006 1.00 25.00 C ATOM 67 OE1 GLN A 5 -0.816 3.874 -4.945 1.00 25.00 O ATOM 68 NE2 GLN A 5 -0.449 3.073 -2.899 1.00 25.00 N ATOM 0 H GLN A 5 -2.595 -0.386 -4.389 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.793 1.311 -4.917 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.811 1.263 -5.594 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.829 2.586 -6.128 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.311 3.244 -3.851 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.573 1.790 -3.208 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -0.789 2.496 -2.130 1.00 25.00 H new ATOM 0 HE22 GLN A 5 0.449 3.551 -2.820 1.00 25.00 H new ATOM 77 N CYS A 6 -3.594 -0.379 -7.459 1.00 25.00 N ATOM 78 CA CYS A 6 -3.838 -0.810 -8.855 1.00 25.00 C ATOM 79 C CYS A 6 -5.049 -1.747 -8.934 1.00 25.00 C ATOM 80 O CYS A 6 -5.619 -1.912 -9.970 1.00 25.00 O ATOM 81 CB CYS A 6 -2.578 -1.481 -9.385 1.00 25.00 C ATOM 82 SG CYS A 6 -2.450 -1.416 -11.202 1.00 25.00 S ATOM 0 H CYS A 6 -2.862 -0.911 -6.987 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.069 0.057 -9.474 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.704 -0.999 -8.947 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.563 -2.522 -9.062 1.00 25.00 H new ATOM 87 N CYS A 7 -5.470 -2.305 -7.799 1.00 25.00 N ATOM 88 CA CYS A 7 -6.647 -3.162 -7.709 1.00 25.00 C ATOM 89 C CYS A 7 -7.909 -2.368 -7.428 1.00 25.00 C ATOM 90 O CYS A 7 -8.944 -2.627 -8.057 1.00 25.00 O ATOM 91 CB CYS A 7 -6.423 -4.198 -6.582 1.00 25.00 C ATOM 92 SG CYS A 7 -7.728 -5.468 -6.514 1.00 25.00 S ATOM 0 H CYS A 7 -4.995 -2.171 -6.906 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.782 -3.659 -8.669 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.458 -4.684 -6.729 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -6.377 -3.680 -5.624 1.00 25.00 H new ATOM 97 N THR A 8 -7.839 -1.418 -6.524 1.00 25.00 N ATOM 98 CA THR A 8 -9.048 -0.673 -6.088 1.00 25.00 C ATOM 99 C THR A 8 -9.322 0.473 -7.056 1.00 25.00 C ATOM 100 O THR A 8 -10.454 0.912 -7.206 1.00 25.00 O ATOM 101 CB THR A 8 -8.833 -0.163 -4.610 1.00 25.00 C ATOM 102 OG1 THR A 8 -10.069 0.323 -4.086 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.826 1.016 -4.553 1.00 25.00 C ATOM 0 H THR A 8 -6.975 -1.128 -6.066 1.00 25.00 H new ATOM 0 HA THR A 8 -9.922 -1.324 -6.097 1.00 25.00 H new ATOM 0 HB THR A 8 -8.451 -1.005 -4.033 1.00 25.00 H new ATOM 0 HG1 THR A 8 -9.934 0.638 -3.168 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.704 1.340 -3.520 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.863 0.692 -4.948 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.203 1.846 -5.151 1.00 25.00 H new ATOM 111 N SER A 9 -8.324 0.896 -7.804 1.00 25.00 N ATOM 112 CA SER A 9 -8.495 1.949 -8.838 1.00 25.00 C ATOM 113 C SER A 9 -8.021 1.311 -10.130 1.00 25.00 C ATOM 114 O SER A 9 -7.493 0.175 -10.099 1.00 25.00 O ATOM 115 CB SER A 9 -7.608 3.146 -8.455 1.00 25.00 C ATOM 116 OG SER A 9 -7.835 4.211 -9.354 1.00 25.00 O ATOM 0 H SER A 9 -7.372 0.537 -7.730 1.00 25.00 H new ATOM 0 HA SER A 9 -9.520 2.307 -8.933 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.829 3.464 -7.436 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.558 2.855 -8.478 1.00 25.00 H new ATOM 0 HG SER A 9 -7.270 4.973 -9.107 1.00 25.00 H new ATOM 122 N ILE A 10 -8.235 1.973 -11.258 1.00 25.00 N ATOM 123 CA ILE A 10 -7.765 1.447 -12.551 1.00 25.00 C ATOM 124 C ILE A 10 -6.442 2.059 -13.002 1.00 25.00 C ATOM 125 O ILE A 10 -6.372 3.265 -13.275 1.00 25.00 O ATOM 126 CB ILE A 10 -8.812 1.738 -13.685 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.079 0.888 -13.409 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.251 1.501 -15.125 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.274 1.154 -14.272 1.00 25.00 C ATOM 0 H ILE A 10 -8.724 2.866 -11.315 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.630 0.377 -12.393 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.062 2.799 -13.660 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.812 -0.163 -13.514 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.370 1.040 -12.370 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.027 1.721 -15.858 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.396 2.155 -15.294 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -7.939 0.462 -15.227 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.090 0.495 -13.977 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.585 2.192 -14.153 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -11.018 0.969 -15.315 1.00 25.00 H new ATOM 141 N CYS A 11 -5.416 1.225 -13.098 1.00 25.00 N ATOM 142 CA CYS A 11 -4.129 1.673 -13.663 1.00 25.00 C ATOM 143 C CYS A 11 -4.233 1.841 -15.172 1.00 25.00 C ATOM 144 O CYS A 11 -4.654 0.918 -15.899 1.00 25.00 O ATOM 145 CB CYS A 11 -3.026 0.691 -13.386 1.00 25.00 C ATOM 146 SG CYS A 11 -2.586 0.574 -11.625 1.00 25.00 S ATOM 0 H CYS A 11 -5.437 0.249 -12.801 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.897 2.625 -13.186 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.328 -0.293 -13.743 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.142 0.979 -13.955 1.00 25.00 H new ATOM 151 N SER A 12 -3.766 2.986 -15.647 1.00 25.00 N ATOM 152 CA SER A 12 -3.735 3.284 -17.095 1.00 25.00 C ATOM 153 C SER A 12 -2.483 2.651 -17.730 1.00 25.00 C ATOM 154 O SER A 12 -1.571 2.162 -16.999 1.00 25.00 O ATOM 155 CB SER A 12 -3.706 4.809 -17.291 1.00 25.00 C ATOM 156 OG SER A 12 -4.320 5.456 -16.202 1.00 25.00 O ATOM 0 H SER A 12 -3.399 3.734 -15.059 1.00 25.00 H new ATOM 0 HA SER A 12 -4.621 2.870 -17.575 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.675 5.150 -17.390 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.220 5.073 -18.216 1.00 25.00 H new ATOM 0 HG SER A 12 -4.293 6.426 -16.340 1.00 25.00 H new ATOM 162 N LEU A 13 -2.388 2.666 -19.059 1.00 25.00 N ATOM 163 CA LEU A 13 -1.207 2.114 -19.736 1.00 25.00 C ATOM 164 C LEU A 13 -0.002 2.876 -19.240 1.00 25.00 C ATOM 165 O LEU A 13 1.031 2.335 -19.043 1.00 25.00 O ATOM 166 CB LEU A 13 -1.339 2.368 -21.237 1.00 25.00 C ATOM 167 CG LEU A 13 -2.048 1.231 -21.961 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.629 1.732 -23.292 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.091 0.065 -22.166 1.00 25.00 C ATOM 0 H LEU A 13 -3.100 3.047 -19.683 1.00 25.00 H new ATOM 0 HA LEU A 13 -1.113 1.046 -19.539 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.888 3.296 -21.398 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -0.347 2.506 -21.667 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.878 0.875 -21.351 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -3.133 0.911 -23.801 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -3.343 2.533 -23.099 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.823 2.109 -23.922 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.608 -0.743 -22.684 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.240 0.393 -22.763 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.739 -0.292 -21.198 1.00 25.00 H new ATOM 181 N TYR A 14 -0.183 4.164 -19.097 1.00 25.00 N ATOM 182 CA TYR A 14 0.899 5.078 -18.748 1.00 25.00 C ATOM 183 C TYR A 14 1.382 4.811 -17.323 1.00 25.00 C ATOM 184 O TYR A 14 2.546 4.937 -17.046 1.00 25.00 O ATOM 185 CB TYR A 14 0.444 6.554 -18.930 1.00 25.00 C ATOM 186 CG TYR A 14 -0.742 6.674 -19.897 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.547 6.498 -21.305 1.00 25.00 C ATOM 188 CD2 TYR A 14 -2.047 6.925 -19.422 1.00 25.00 C ATOM 189 CE1 TYR A 14 -1.618 6.500 -22.193 1.00 25.00 C ATOM 190 CE2 TYR A 14 -3.146 6.992 -20.350 1.00 25.00 C ATOM 191 CZ TYR A 14 -2.922 6.718 -21.719 1.00 25.00 C ATOM 192 OH TYR A 14 -3.964 6.632 -22.592 1.00 25.00 O ATOM 0 H TYR A 14 -1.087 4.621 -19.218 1.00 25.00 H new ATOM 0 HA TYR A 14 1.738 4.905 -19.421 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.166 6.970 -17.962 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.278 7.147 -19.304 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.454 6.361 -21.686 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -2.221 7.066 -18.366 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.447 6.334 -23.246 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -4.135 7.250 -20.002 1.00 25.00 H new ATOM 0 HH TYR A 14 -4.804 6.806 -22.117 1.00 25.00 H new ATOM 202 N GLN A 15 0.429 4.459 -16.434 1.00 25.00 N ATOM 203 CA GLN A 15 0.681 4.233 -15.017 1.00 25.00 C ATOM 204 C GLN A 15 1.461 2.962 -14.866 1.00 25.00 C ATOM 205 O GLN A 15 2.410 2.892 -14.102 1.00 25.00 O ATOM 206 CB GLN A 15 -0.640 4.129 -14.232 1.00 25.00 C ATOM 207 CG GLN A 15 -1.415 5.447 -14.144 1.00 25.00 C ATOM 208 CD GLN A 15 -0.766 6.411 -13.138 1.00 25.00 C ATOM 209 OE1 GLN A 15 0.147 7.128 -13.455 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.248 6.400 -11.914 1.00 25.00 N ATOM 0 H GLN A 15 -0.548 4.325 -16.696 1.00 25.00 H new ATOM 0 HA GLN A 15 1.246 5.075 -14.616 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -1.273 3.377 -14.703 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.425 3.777 -13.223 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -1.453 5.916 -15.127 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -2.444 5.247 -13.847 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -2.023 5.781 -11.677 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -0.847 7.011 -11.202 1.00 25.00 H new ATOM 219 N LEU A 16 1.125 1.949 -15.701 1.00 25.00 N ATOM 220 CA LEU A 16 1.888 0.705 -15.745 1.00 25.00 C ATOM 221 C LEU A 16 3.289 0.917 -16.345 1.00 25.00 C ATOM 222 O LEU A 16 4.241 0.334 -15.852 1.00 25.00 O ATOM 223 CB LEU A 16 1.129 -0.289 -16.665 1.00 25.00 C ATOM 224 CG LEU A 16 -0.210 -0.815 -16.150 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.891 -1.651 -17.261 1.00 25.00 C ATOM 226 CD2 LEU A 16 -0.061 -1.642 -14.946 1.00 25.00 C ATOM 0 H LEU A 16 0.334 1.980 -16.344 1.00 25.00 H new ATOM 0 HA LEU A 16 1.996 0.331 -14.727 1.00 25.00 H new ATOM 0 HB2 LEU A 16 0.957 0.199 -17.624 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.780 -1.143 -16.854 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.821 0.047 -15.883 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.847 -2.028 -16.898 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.057 -1.025 -18.137 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.249 -2.489 -17.531 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.041 -1.991 -14.621 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.573 -2.500 -15.170 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.395 -1.050 -14.152 1.00 25.00 H new ATOM 238 N GLU A 17 3.387 1.758 -17.352 1.00 25.00 N ATOM 239 CA GLU A 17 4.688 2.106 -17.937 1.00 25.00 C ATOM 240 C GLU A 17 5.559 2.915 -16.964 1.00 25.00 C ATOM 241 O GLU A 17 6.782 2.896 -17.083 1.00 25.00 O ATOM 242 CB GLU A 17 4.498 2.899 -19.251 1.00 25.00 C ATOM 243 CG GLU A 17 3.971 2.010 -20.404 1.00 25.00 C ATOM 244 CD GLU A 17 3.663 2.785 -21.654 1.00 25.00 C ATOM 245 OE1 GLU A 17 2.659 3.404 -21.842 1.00 25.00 O ATOM 246 OE2 GLU A 17 4.586 2.683 -22.528 1.00 25.00 O ATOM 0 H GLU A 17 2.590 2.219 -17.790 1.00 25.00 H new ATOM 0 HA GLU A 17 5.204 1.170 -18.150 1.00 25.00 H new ATOM 0 HB2 GLU A 17 3.801 3.719 -19.080 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.449 3.345 -19.544 1.00 25.00 H new ATOM 0 HG2 GLU A 17 4.712 1.244 -20.632 1.00 25.00 H new ATOM 0 HG3 GLU A 17 3.070 1.493 -20.073 1.00 25.00 H new ATOM 254 N ASN A 18 4.947 3.583 -16.022 1.00 25.00 N ATOM 255 CA ASN A 18 5.717 4.318 -15.002 1.00 25.00 C ATOM 256 C ASN A 18 6.393 3.342 -14.031 1.00 25.00 C ATOM 257 O ASN A 18 7.292 3.716 -13.315 1.00 25.00 O ATOM 258 CB ASN A 18 4.863 5.310 -14.238 1.00 25.00 C ATOM 259 CG ASN A 18 4.517 6.523 -15.029 1.00 25.00 C ATOM 260 OD1 ASN A 18 5.184 6.897 -15.963 1.00 25.00 O ATOM 261 ND2 ASN A 18 3.431 7.149 -14.659 1.00 25.00 N ATOM 0 H ASN A 18 3.934 3.645 -15.923 1.00 25.00 H new ATOM 0 HA ASN A 18 6.482 4.888 -15.530 1.00 25.00 H new ATOM 0 HB2 ASN A 18 3.944 4.818 -13.920 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.391 5.613 -13.334 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.124 7.980 -15.164 1.00 25.00 H new ATOM 0 HD22 ASN A 18 2.890 6.806 -13.865 1.00 25.00 H new ATOM 268 N TYR A 19 5.931 2.064 -13.980 1.00 25.00 N ATOM 269 CA TYR A 19 6.616 1.138 -13.120 1.00 25.00 C ATOM 270 C TYR A 19 7.779 0.470 -13.835 1.00 25.00 C ATOM 271 O TYR A 19 8.680 -0.030 -13.172 1.00 25.00 O ATOM 272 CB TYR A 19 5.663 0.091 -12.603 1.00 25.00 C ATOM 273 CG TYR A 19 4.424 0.650 -11.901 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.466 1.772 -11.093 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.188 0.022 -12.086 1.00 25.00 C ATOM 276 CE1 TYR A 19 3.298 2.279 -10.493 1.00 25.00 C ATOM 277 CE2 TYR A 19 2.019 0.529 -11.499 1.00 25.00 C ATOM 278 CZ TYR A 19 2.042 1.661 -10.715 1.00 25.00 C ATOM 279 OH TYR A 19 0.899 2.149 -10.115 1.00 25.00 O ATOM 0 H TYR A 19 5.135 1.694 -14.499 1.00 25.00 H new ATOM 0 HA TYR A 19 7.014 1.706 -12.279 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.342 -0.533 -13.437 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.197 -0.557 -11.908 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.410 2.267 -10.920 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.132 -0.870 -12.692 1.00 25.00 H new ATOM 0 HE1 TYR A 19 3.360 3.149 -9.856 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.081 0.021 -11.666 1.00 25.00 H new ATOM 0 HH TYR A 19 0.131 1.602 -10.381 1.00 25.00 H new ATOM 289 N CYS A 20 7.752 0.481 -15.158 1.00 25.00 N ATOM 290 CA CYS A 20 8.852 -0.015 -15.946 1.00 25.00 C ATOM 291 C CYS A 20 10.063 0.962 -15.876 1.00 25.00 C ATOM 292 O CYS A 20 9.922 2.132 -15.563 1.00 25.00 O ATOM 293 CB CYS A 20 8.449 -0.095 -17.425 1.00 25.00 C ATOM 294 SG CYS A 20 7.519 -1.568 -17.892 1.00 25.00 S ATOM 0 H CYS A 20 6.968 0.834 -15.707 1.00 25.00 H new ATOM 0 HA CYS A 20 9.117 -0.995 -15.550 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.853 0.784 -17.670 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.352 -0.047 -18.034 1.00 25.00 H new ATOM 299 N ASN A 21 11.242 0.422 -16.199 1.00 25.00 N ATOM 300 CA ASN A 21 12.484 1.220 -16.255 1.00 25.00 C ATOM 301 C ASN A 21 12.446 2.182 -17.441 1.00 25.00 C ATOM 302 O ASN A 21 12.454 1.792 -18.625 1.00 25.00 O ATOM 303 CB ASN A 21 13.724 0.307 -16.291 1.00 25.00 C ATOM 304 CG ASN A 21 14.965 1.178 -16.316 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.290 1.848 -15.378 1.00 25.00 O ATOM 306 ND2 ASN A 21 15.699 1.161 -17.420 1.00 25.00 N ATOM 307 OXT ASN A 21 12.491 3.451 -17.144 1.00 25.00 O ATOM 0 H ASN A 21 11.369 -0.564 -16.427 1.00 25.00 H new ATOM 0 HA ASN A 21 12.556 1.819 -15.347 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.738 -0.347 -15.419 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.695 -0.336 -17.171 1.00 25.00 H new ATOM 0 HD21 ASN A 21 16.549 1.722 -17.476 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.414 0.587 -18.213 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -4.938 -3.438 -25.606 1.00 25.00 N ATOM 317 CA PHE B 1 -5.212 -3.040 -24.204 1.00 25.00 C ATOM 318 C PHE B 1 -6.659 -2.824 -23.782 1.00 25.00 C ATOM 319 O PHE B 1 -7.526 -2.361 -24.502 1.00 25.00 O ATOM 320 CB PHE B 1 -4.411 -1.767 -23.826 1.00 25.00 C ATOM 321 CG PHE B 1 -4.146 -1.668 -22.306 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.149 -2.522 -21.757 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.922 -0.821 -21.465 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.929 -2.494 -20.399 1.00 25.00 C ATOM 325 CE2 PHE B 1 -4.670 -0.837 -20.089 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.675 -1.643 -19.584 1.00 25.00 C ATOM 0 H1 PHE B 1 -3.913 -3.547 -25.742 1.00 25.00 H new ATOM 0 H2 PHE B 1 -5.412 -4.341 -25.810 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.297 -2.706 -26.251 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.893 -3.929 -23.660 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.460 -1.768 -24.359 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.960 -0.885 -24.155 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.576 -3.180 -22.394 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.687 -0.181 -21.879 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.176 -3.133 -19.963 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -5.255 -0.218 -19.424 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.466 -1.616 -18.525 1.00 25.00 H new ATOM 337 N VAL B 2 -6.870 -3.067 -22.547 1.00 25.00 N ATOM 338 CA VAL B 2 -8.171 -2.808 -21.880 1.00 25.00 C ATOM 339 C VAL B 2 -7.842 -2.224 -20.531 1.00 25.00 C ATOM 340 O VAL B 2 -7.053 -2.756 -19.750 1.00 25.00 O ATOM 341 CB VAL B 2 -9.021 -4.145 -21.770 1.00 25.00 C ATOM 342 CG1 VAL B 2 -8.141 -5.344 -21.324 1.00 25.00 C ATOM 343 CG2 VAL B 2 -10.207 -3.965 -20.815 1.00 25.00 C ATOM 0 H VAL B 2 -6.161 -3.457 -21.926 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.789 -2.114 -22.449 1.00 25.00 H new ATOM 0 HB VAL B 2 -9.409 -4.366 -22.764 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -8.755 -6.242 -21.259 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.344 -5.501 -22.051 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -7.705 -5.132 -20.348 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -10.772 -4.895 -20.758 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -9.839 -3.702 -19.823 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.854 -3.169 -21.184 1.00 25.00 H new ATOM 353 N ASN B 3 -8.402 -1.056 -20.254 1.00 25.00 N ATOM 354 CA ASN B 3 -8.284 -0.423 -18.933 1.00 25.00 C ATOM 355 C ASN B 3 -9.090 -1.262 -17.985 1.00 25.00 C ATOM 356 O ASN B 3 -10.272 -1.498 -18.237 1.00 25.00 O ATOM 357 CB ASN B 3 -8.765 1.049 -18.930 1.00 25.00 C ATOM 358 CG ASN B 3 -10.229 1.191 -19.325 1.00 25.00 C ATOM 359 OD1 ASN B 3 -10.561 1.085 -20.453 1.00 25.00 O ATOM 360 ND2 ASN B 3 -11.091 1.488 -18.375 1.00 25.00 N ATOM 0 H ASN B 3 -8.948 -0.518 -20.927 1.00 25.00 H new ATOM 0 HA ASN B 3 -7.237 -0.379 -18.634 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -8.619 1.473 -17.936 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.150 1.629 -19.618 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -12.074 1.633 -18.605 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -10.776 1.573 -17.409 1.00 25.00 H new ATOM 367 N GLN B 4 -8.465 -1.647 -16.886 1.00 25.00 N ATOM 368 CA GLN B 4 -9.087 -2.558 -15.932 1.00 25.00 C ATOM 369 C GLN B 4 -8.432 -2.409 -14.594 1.00 25.00 C ATOM 370 O GLN B 4 -7.385 -1.832 -14.497 1.00 25.00 O ATOM 371 CB GLN B 4 -8.948 -4.019 -16.439 1.00 25.00 C ATOM 372 CG GLN B 4 -7.489 -4.503 -16.480 1.00 25.00 C ATOM 373 CD GLN B 4 -7.398 -5.967 -16.741 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.336 -6.754 -15.824 1.00 25.00 O ATOM 375 NE2 GLN B 4 -7.503 -6.333 -17.982 1.00 25.00 N ATOM 0 H GLN B 4 -7.526 -1.344 -16.629 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.146 -2.317 -15.835 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.526 -4.679 -15.792 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.378 -4.094 -17.438 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -6.948 -3.961 -17.256 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.003 -4.272 -15.532 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -7.552 -5.629 -18.719 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -7.537 -7.324 -18.220 1.00 25.00 H new ATOM 384 N HIS B 5 -9.024 -2.950 -13.562 1.00 25.00 N ATOM 385 CA HIS B 5 -8.361 -3.061 -12.242 1.00 25.00 C ATOM 386 C HIS B 5 -7.388 -4.233 -12.323 1.00 25.00 C ATOM 387 O HIS B 5 -7.740 -5.248 -12.953 1.00 25.00 O ATOM 388 CB HIS B 5 -9.417 -3.381 -11.166 1.00 25.00 C ATOM 389 CG HIS B 5 -10.391 -2.274 -10.923 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.096 -1.164 -10.125 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.671 -2.085 -11.314 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.166 -0.378 -10.092 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.117 -0.908 -10.804 1.00 25.00 N ATOM 0 H HIS B 5 -9.970 -3.330 -13.587 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.851 -2.132 -11.988 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.965 -4.275 -11.464 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.909 -3.616 -10.231 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.211 -0.988 -9.650 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.245 -2.760 -11.931 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.236 0.557 -9.556 1.00 25.00 H new ATOM 402 N LEU B 6 -6.171 -4.106 -11.796 1.00 25.00 N ATOM 403 CA LEU B 6 -5.187 -5.187 -11.891 1.00 25.00 C ATOM 404 C LEU B 6 -4.968 -5.635 -10.459 1.00 25.00 C ATOM 405 O LEU B 6 -4.637 -4.813 -9.611 1.00 25.00 O ATOM 406 CB LEU B 6 -3.847 -4.690 -12.471 1.00 25.00 C ATOM 407 CG LEU B 6 -3.623 -4.350 -13.974 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.056 -5.498 -14.894 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.312 -3.053 -14.429 1.00 25.00 C ATOM 0 H LEU B 6 -5.844 -3.275 -11.303 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.542 -5.981 -12.548 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.589 -3.790 -11.913 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.105 -5.447 -12.216 1.00 25.00 H new ATOM 0 HG LEU B 6 -2.547 -4.198 -14.059 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.882 -5.217 -15.933 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.478 -6.391 -14.658 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -5.116 -5.702 -14.746 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.109 -2.885 -15.487 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.388 -3.139 -14.275 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -3.928 -2.214 -13.848 1.00 25.00 H new ATOM 421 N CYS B 7 -5.118 -6.908 -10.161 1.00 25.00 N ATOM 422 CA CYS B 7 -5.051 -7.379 -8.775 1.00 25.00 C ATOM 423 C CYS B 7 -4.211 -8.633 -8.722 1.00 25.00 C ATOM 424 O CYS B 7 -4.400 -9.534 -9.546 1.00 25.00 O ATOM 425 CB CYS B 7 -6.494 -7.707 -8.260 1.00 25.00 C ATOM 426 SG CYS B 7 -7.726 -6.350 -8.341 1.00 25.00 S ATOM 0 H CYS B 7 -5.287 -7.641 -10.850 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.609 -6.605 -8.148 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.877 -8.549 -8.836 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.419 -8.037 -7.224 1.00 25.00 H new ATOM 431 N GLY B 8 -3.279 -8.684 -7.766 1.00 25.00 N ATOM 432 CA GLY B 8 -2.499 -9.874 -7.586 1.00 25.00 C ATOM 433 C GLY B 8 -1.685 -10.216 -8.805 1.00 25.00 C ATOM 434 O GLY B 8 -0.866 -9.397 -9.275 1.00 25.00 O ATOM 0 H GLY B 8 -3.061 -7.922 -7.124 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -1.833 -9.743 -6.733 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -3.161 -10.707 -7.349 1.00 25.00 H new ATOM 438 N SER B 9 -1.899 -11.420 -9.327 1.00 25.00 N ATOM 439 CA SER B 9 -1.202 -11.890 -10.521 1.00 25.00 C ATOM 440 C SER B 9 -1.455 -11.088 -11.772 1.00 25.00 C ATOM 441 O SER B 9 -0.626 -11.133 -12.714 1.00 25.00 O ATOM 442 CB SER B 9 -1.575 -13.331 -10.778 1.00 25.00 C ATOM 443 OG SER B 9 -1.401 -14.130 -9.612 1.00 25.00 O ATOM 0 H SER B 9 -2.557 -12.095 -8.937 1.00 25.00 H new ATOM 0 HA SER B 9 -0.140 -11.771 -10.304 1.00 25.00 H new ATOM 0 HB2 SER B 9 -2.613 -13.386 -11.107 1.00 25.00 H new ATOM 0 HB3 SER B 9 -0.962 -13.728 -11.587 1.00 25.00 H new ATOM 0 HG SER B 9 -1.652 -15.056 -9.810 1.00 25.00 H new ATOM 449 N HIS B 10 -2.539 -10.338 -11.816 1.00 25.00 N ATOM 450 CA HIS B 10 -2.830 -9.615 -13.079 1.00 25.00 C ATOM 451 C HIS B 10 -1.805 -8.477 -13.225 1.00 25.00 C ATOM 452 O HIS B 10 -1.661 -7.948 -14.315 1.00 25.00 O ATOM 453 CB HIS B 10 -4.234 -9.049 -13.093 1.00 25.00 C ATOM 454 CG HIS B 10 -5.171 -9.757 -14.031 1.00 25.00 C ATOM 455 ND1 HIS B 10 -6.207 -9.102 -14.721 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.330 -11.069 -14.334 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.896 -10.013 -15.399 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.384 -11.181 -15.184 1.00 25.00 N ATOM 0 H HIS B 10 -3.206 -10.205 -11.056 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.757 -10.314 -13.912 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.643 -9.096 -12.084 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.187 -7.996 -13.370 1.00 25.00 H new ATOM 0 HD1 HIS B 10 -6.397 -8.100 -14.704 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -4.724 -11.883 -13.964 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.749 -9.810 -16.030 1.00 25.00 H new ATOM 467 N LEU B 11 -1.143 -8.101 -12.135 1.00 25.00 N ATOM 468 CA LEU B 11 -0.246 -6.972 -12.202 1.00 25.00 C ATOM 469 C LEU B 11 1.008 -7.403 -12.955 1.00 25.00 C ATOM 470 O LEU B 11 1.388 -6.775 -13.925 1.00 25.00 O ATOM 471 CB LEU B 11 0.173 -6.503 -10.812 1.00 25.00 C ATOM 472 CG LEU B 11 -0.542 -5.255 -10.299 1.00 25.00 C ATOM 473 CD1 LEU B 11 -1.490 -5.667 -9.162 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.495 -4.244 -9.786 1.00 25.00 C ATOM 0 H LEU B 11 -1.212 -8.552 -11.223 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.761 -6.153 -12.704 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.002 -7.315 -10.106 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.246 -6.309 -10.820 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.114 -4.790 -11.102 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -2.009 -4.786 -8.784 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -2.219 -6.384 -9.538 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -0.915 -6.123 -8.356 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.015 -3.353 -9.420 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.070 -4.692 -8.975 1.00 25.00 H new ATOM 0 HD23 LEU B 11 1.168 -3.969 -10.598 1.00 25.00 H new ATOM 486 N VAL B 12 1.607 -8.485 -12.525 1.00 25.00 N ATOM 487 CA VAL B 12 2.838 -8.992 -13.152 1.00 25.00 C ATOM 488 C VAL B 12 2.647 -9.282 -14.623 1.00 25.00 C ATOM 489 O VAL B 12 3.430 -8.849 -15.468 1.00 25.00 O ATOM 490 CB VAL B 12 3.450 -10.216 -12.361 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.419 -11.187 -11.826 1.00 25.00 C ATOM 492 CG2 VAL B 12 4.483 -11.001 -13.204 1.00 25.00 C ATOM 0 H VAL B 12 1.273 -9.046 -11.741 1.00 25.00 H new ATOM 0 HA VAL B 12 3.577 -8.193 -13.092 1.00 25.00 H new ATOM 0 HB VAL B 12 3.945 -9.754 -11.507 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.922 -11.997 -11.297 1.00 25.00 H new ATOM 0 HG12 VAL B 12 1.750 -10.666 -11.141 1.00 25.00 H new ATOM 0 HG13 VAL B 12 1.842 -11.598 -12.654 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.875 -11.832 -12.618 1.00 25.00 H new ATOM 0 HG22 VAL B 12 4.002 -11.386 -14.103 1.00 25.00 H new ATOM 0 HG23 VAL B 12 5.301 -10.338 -13.486 1.00 25.00 H new ATOM 502 N GLU B 13 1.559 -9.938 -14.966 1.00 25.00 N ATOM 503 CA GLU B 13 1.217 -10.216 -16.372 1.00 25.00 C ATOM 504 C GLU B 13 1.063 -8.946 -17.187 1.00 25.00 C ATOM 505 O GLU B 13 1.604 -8.813 -18.293 1.00 25.00 O ATOM 506 CB GLU B 13 -0.066 -11.026 -16.401 1.00 25.00 C ATOM 507 CG GLU B 13 0.127 -12.475 -15.897 1.00 25.00 C ATOM 508 CD GLU B 13 -1.138 -13.246 -15.871 1.00 25.00 C ATOM 509 OE1 GLU B 13 -1.979 -13.179 -16.703 1.00 25.00 O ATOM 510 OE2 GLU B 13 -1.300 -13.919 -14.791 1.00 25.00 O ATOM 0 H GLU B 13 0.881 -10.298 -14.294 1.00 25.00 H new ATOM 0 HA GLU B 13 2.033 -10.778 -16.826 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.817 -10.530 -15.787 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.452 -11.049 -17.420 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.845 -12.985 -16.538 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.554 -12.452 -14.895 1.00 25.00 H new ATOM 518 N ALA B 14 0.359 -7.999 -16.631 1.00 25.00 N ATOM 519 CA ALA B 14 0.156 -6.751 -17.329 1.00 25.00 C ATOM 520 C ALA B 14 1.484 -6.077 -17.583 1.00 25.00 C ATOM 521 O ALA B 14 1.696 -5.556 -18.675 1.00 25.00 O ATOM 522 CB ALA B 14 -0.799 -5.790 -16.507 1.00 25.00 C ATOM 0 H ALA B 14 -0.079 -8.060 -15.712 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.322 -6.967 -18.285 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.935 -4.857 -17.054 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.766 -6.272 -16.365 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.353 -5.578 -15.535 1.00 25.00 H new ATOM 528 N LEU B 15 2.361 -6.027 -16.575 1.00 25.00 N ATOM 529 CA LEU B 15 3.649 -5.339 -16.774 1.00 25.00 C ATOM 530 C LEU B 15 4.563 -6.062 -17.772 1.00 25.00 C ATOM 531 O LEU B 15 5.203 -5.446 -18.590 1.00 25.00 O ATOM 532 CB LEU B 15 4.405 -5.152 -15.428 1.00 25.00 C ATOM 533 CG LEU B 15 3.659 -4.279 -14.403 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.306 -4.373 -13.013 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.521 -2.855 -14.856 1.00 25.00 C ATOM 0 H LEU B 15 2.218 -6.434 -15.651 1.00 25.00 H new ATOM 0 HA LEU B 15 3.401 -4.363 -17.192 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.589 -6.132 -14.988 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.378 -4.705 -15.630 1.00 25.00 H new ATOM 0 HG LEU B 15 2.647 -4.677 -14.325 1.00 25.00 H new ATOM 0 HD11 LEU B 15 3.756 -3.745 -12.312 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.282 -5.407 -12.670 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.340 -4.033 -13.069 1.00 25.00 H new ATOM 0 HD21 LEU B 15 2.988 -2.282 -14.097 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.511 -2.424 -15.008 1.00 25.00 H new ATOM 0 HD23 LEU B 15 2.964 -2.823 -15.793 1.00 25.00 H new ATOM 547 N TYR B 16 4.562 -7.368 -17.747 1.00 25.00 N ATOM 548 CA TYR B 16 5.396 -8.142 -18.671 1.00 25.00 C ATOM 549 C TYR B 16 4.968 -7.816 -20.111 1.00 25.00 C ATOM 550 O TYR B 16 5.827 -7.587 -20.988 1.00 25.00 O ATOM 551 CB TYR B 16 5.235 -9.642 -18.403 1.00 25.00 C ATOM 552 CG TYR B 16 5.847 -10.558 -19.445 1.00 25.00 C ATOM 553 CD1 TYR B 16 7.181 -10.928 -19.393 1.00 25.00 C ATOM 554 CD2 TYR B 16 5.049 -11.102 -20.455 1.00 25.00 C ATOM 555 CE1 TYR B 16 7.714 -11.829 -20.376 1.00 25.00 C ATOM 556 CE2 TYR B 16 5.587 -12.005 -21.417 1.00 25.00 C ATOM 557 CZ TYR B 16 6.919 -12.375 -21.342 1.00 25.00 C ATOM 558 OH TYR B 16 7.447 -13.266 -22.252 1.00 25.00 O ATOM 0 H TYR B 16 4.001 -7.930 -17.106 1.00 25.00 H new ATOM 0 HA TYR B 16 6.444 -7.879 -18.526 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.681 -9.871 -17.435 1.00 25.00 H new ATOM 0 HB3 TYR B 16 4.172 -9.868 -18.325 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.820 -10.539 -18.614 1.00 25.00 H new ATOM 0 HD2 TYR B 16 4.004 -10.833 -20.507 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.764 -12.079 -20.351 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.958 -12.399 -22.202 1.00 25.00 H new ATOM 0 HH TYR B 16 6.744 -13.559 -22.869 1.00 25.00 H new ATOM 568 N LEU B 17 3.653 -7.726 -20.306 1.00 25.00 N ATOM 569 CA LEU B 17 3.094 -7.382 -21.602 1.00 25.00 C ATOM 570 C LEU B 17 3.404 -5.962 -22.056 1.00 25.00 C ATOM 571 O LEU B 17 3.750 -5.745 -23.227 1.00 25.00 O ATOM 572 CB LEU B 17 1.567 -7.575 -21.564 1.00 25.00 C ATOM 573 CG LEU B 17 1.051 -9.039 -21.563 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.517 -8.980 -21.380 1.00 25.00 C ATOM 575 CD2 LEU B 17 1.307 -9.772 -22.863 1.00 25.00 C ATOM 0 H LEU B 17 2.958 -7.888 -19.578 1.00 25.00 H new ATOM 0 HA LEU B 17 3.565 -8.048 -22.325 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.183 -7.078 -20.673 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.137 -7.063 -22.425 1.00 25.00 H new ATOM 0 HG LEU B 17 1.576 -9.570 -20.769 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.921 -9.992 -21.374 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.755 -8.489 -20.437 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.958 -8.418 -22.203 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.920 -10.788 -22.790 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.806 -9.251 -23.679 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.379 -9.805 -23.057 1.00 25.00 H new ATOM 587 N VAL B 18 3.266 -5.000 -21.146 1.00 25.00 N ATOM 588 CA VAL B 18 3.437 -3.606 -21.525 1.00 25.00 C ATOM 589 C VAL B 18 4.914 -3.244 -21.800 1.00 25.00 C ATOM 590 O VAL B 18 5.243 -2.359 -22.648 1.00 25.00 O ATOM 591 CB VAL B 18 2.822 -2.645 -20.440 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.769 -2.401 -19.222 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.364 -1.353 -21.026 1.00 25.00 C ATOM 0 H VAL B 18 3.041 -5.157 -20.164 1.00 25.00 H new ATOM 0 HA VAL B 18 2.895 -3.468 -22.460 1.00 25.00 H new ATOM 0 HB VAL B 18 1.947 -3.169 -20.056 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.284 -1.730 -18.513 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.986 -3.351 -18.733 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.699 -1.951 -19.569 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.948 -0.724 -20.239 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.209 -0.843 -21.489 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.600 -1.546 -21.779 1.00 25.00 H new ATOM 603 N CYS B 19 5.775 -3.955 -21.094 1.00 25.00 N ATOM 604 CA CYS B 19 7.203 -3.681 -21.177 1.00 25.00 C ATOM 605 C CYS B 19 7.928 -4.507 -22.239 1.00 25.00 C ATOM 606 O CYS B 19 9.034 -4.206 -22.623 1.00 25.00 O ATOM 607 CB CYS B 19 7.864 -3.928 -19.859 1.00 25.00 C ATOM 608 SG CYS B 19 8.744 -2.497 -19.221 1.00 25.00 S ATOM 0 H CYS B 19 5.518 -4.716 -20.465 1.00 25.00 H new ATOM 0 HA CYS B 19 7.278 -2.632 -21.463 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.109 -4.234 -19.134 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.562 -4.759 -19.961 1.00 25.00 H new ATOM 613 N GLY B 20 7.298 -5.551 -22.741 1.00 25.00 N ATOM 614 CA GLY B 20 7.877 -6.371 -23.772 1.00 25.00 C ATOM 615 C GLY B 20 9.144 -7.106 -23.356 1.00 25.00 C ATOM 616 O GLY B 20 10.210 -6.864 -23.876 1.00 25.00 O ATOM 0 H GLY B 20 6.370 -5.850 -22.441 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.137 -7.103 -24.095 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.102 -5.743 -24.634 1.00 25.00 H new ATOM 620 N GLU B 21 8.986 -8.046 -22.436 1.00 25.00 N ATOM 621 CA GLU B 21 10.091 -8.913 -21.858 1.00 25.00 C ATOM 622 C GLU B 21 10.997 -8.220 -20.886 1.00 25.00 C ATOM 623 O GLU B 21 11.531 -8.861 -20.003 1.00 25.00 O ATOM 624 CB GLU B 21 11.011 -9.586 -22.878 1.00 25.00 C ATOM 625 CG GLU B 21 10.350 -10.461 -23.968 1.00 25.00 C ATOM 626 CD GLU B 21 11.366 -11.136 -24.844 1.00 25.00 C ATOM 627 OE1 GLU B 21 12.154 -11.938 -24.449 1.00 25.00 O ATOM 628 OE2 GLU B 21 11.311 -10.756 -26.076 1.00 25.00 O ATOM 0 H GLU B 21 8.072 -8.260 -22.036 1.00 25.00 H new ATOM 0 HA GLU B 21 9.485 -9.665 -21.353 1.00 25.00 H new ATOM 0 HB2 GLU B 21 11.588 -8.807 -23.376 1.00 25.00 H new ATOM 0 HB3 GLU B 21 11.720 -10.208 -22.332 1.00 25.00 H new ATOM 0 HG2 GLU B 21 9.722 -11.216 -23.495 1.00 25.00 H new ATOM 0 HG3 GLU B 21 9.697 -9.842 -24.582 1.00 25.00 H new ATOM 636 N ARG B 22 11.046 -6.910 -20.935 1.00 25.00 N ATOM 637 CA ARG B 22 11.876 -6.147 -19.986 1.00 25.00 C ATOM 638 C ARG B 22 11.425 -6.331 -18.553 1.00 25.00 C ATOM 639 O ARG B 22 12.214 -6.183 -17.632 1.00 25.00 O ATOM 640 CB ARG B 22 11.814 -4.659 -20.307 1.00 25.00 C ATOM 641 CG ARG B 22 12.479 -4.292 -21.603 1.00 25.00 C ATOM 642 CD ARG B 22 14.032 -4.385 -21.536 1.00 25.00 C ATOM 643 NE ARG B 22 14.657 -3.410 -20.605 1.00 25.00 N ATOM 644 CZ ARG B 22 15.894 -3.487 -20.130 1.00 25.00 C ATOM 645 NH1 ARG B 22 16.703 -4.446 -20.473 1.00 25.00 N ATOM 646 NH2 ARG B 22 16.307 -2.587 -19.272 1.00 25.00 N ATOM 0 H ARG B 22 10.533 -6.340 -21.608 1.00 25.00 H new ATOM 0 HA ARG B 22 12.892 -6.527 -20.090 1.00 25.00 H new ATOM 0 HB2 ARG B 22 10.770 -4.348 -20.344 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.285 -4.102 -19.497 1.00 25.00 H new ATOM 0 HG2 ARG B 22 12.115 -4.950 -22.392 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.193 -3.277 -21.878 1.00 25.00 H new ATOM 0 HD2 ARG B 22 14.312 -5.393 -21.232 1.00 25.00 H new ATOM 0 HD3 ARG B 22 14.438 -4.229 -22.535 1.00 25.00 H new ATOM 0 HE ARG B 22 14.089 -2.617 -20.307 1.00 25.00 H new ATOM 0 HH11 ARG B 22 16.392 -5.167 -21.125 1.00 25.00 H new ATOM 0 HH12 ARG B 22 17.648 -4.477 -20.090 1.00 25.00 H new ATOM 0 HH21 ARG B 22 15.680 -1.838 -18.977 1.00 25.00 H new ATOM 0 HH22 ARG B 22 17.255 -2.635 -18.899 1.00 25.00 H new ATOM 660 N GLY B 23 10.143 -6.610 -18.396 1.00 25.00 N ATOM 661 CA GLY B 23 9.545 -6.786 -17.077 1.00 25.00 C ATOM 662 C GLY B 23 9.719 -5.565 -16.207 1.00 25.00 C ATOM 663 O GLY B 23 9.811 -4.419 -16.697 1.00 25.00 O ATOM 0 H GLY B 23 9.488 -6.721 -19.170 1.00 25.00 H new ATOM 0 HA2 GLY B 23 8.483 -7.004 -17.187 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.998 -7.648 -16.586 1.00 25.00 H new ATOM 667 N PHE B 24 9.791 -5.823 -14.898 1.00 25.00 N ATOM 668 CA PHE B 24 9.862 -4.778 -13.891 1.00 25.00 C ATOM 669 C PHE B 24 10.665 -5.334 -12.725 1.00 25.00 C ATOM 670 O PHE B 24 10.923 -6.514 -12.694 1.00 25.00 O ATOM 671 CB PHE B 24 8.415 -4.460 -13.452 1.00 25.00 C ATOM 672 CG PHE B 24 7.727 -5.625 -12.875 1.00 25.00 C ATOM 673 CD1 PHE B 24 7.019 -6.522 -13.682 1.00 25.00 C ATOM 674 CD2 PHE B 24 7.797 -5.885 -11.481 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.373 -7.686 -13.132 1.00 25.00 C ATOM 676 CE2 PHE B 24 7.146 -7.016 -10.917 1.00 25.00 C ATOM 677 CZ PHE B 24 6.443 -7.913 -11.736 1.00 25.00 C ATOM 0 H PHE B 24 9.801 -6.767 -14.513 1.00 25.00 H new ATOM 0 HA PHE B 24 10.335 -3.869 -14.261 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.431 -3.653 -12.719 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.850 -4.099 -14.311 1.00 25.00 H new ATOM 0 HD1 PHE B 24 6.955 -6.337 -14.744 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.352 -5.215 -10.841 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.844 -8.375 -13.774 1.00 25.00 H new ATOM 0 HE2 PHE B 24 7.193 -7.186 -9.851 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.957 -8.774 -11.303 1.00 25.00 H new ATOM 687 N PHE B 25 11.076 -4.472 -11.815 1.00 25.00 N ATOM 688 CA PHE B 25 11.893 -4.889 -10.708 1.00 25.00 C ATOM 689 C PHE B 25 11.044 -5.033 -9.415 1.00 25.00 C ATOM 690 O PHE B 25 10.659 -4.016 -8.772 1.00 25.00 O ATOM 691 CB PHE B 25 13.083 -3.930 -10.493 1.00 25.00 C ATOM 692 CG PHE B 25 14.130 -4.466 -9.546 1.00 25.00 C ATOM 693 CD1 PHE B 25 13.992 -4.318 -8.151 1.00 25.00 C ATOM 694 CD2 PHE B 25 15.268 -5.153 -10.034 1.00 25.00 C ATOM 695 CE1 PHE B 25 14.960 -4.838 -7.251 1.00 25.00 C ATOM 696 CE2 PHE B 25 16.207 -5.751 -9.137 1.00 25.00 C ATOM 697 CZ PHE B 25 16.063 -5.546 -7.768 1.00 25.00 C ATOM 0 H PHE B 25 10.853 -3.477 -11.827 1.00 25.00 H new ATOM 0 HA PHE B 25 12.304 -5.869 -10.949 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.549 -3.722 -11.456 1.00 25.00 H new ATOM 0 HB3 PHE B 25 12.709 -2.981 -10.108 1.00 25.00 H new ATOM 0 HD1 PHE B 25 13.131 -3.798 -7.758 1.00 25.00 H new ATOM 0 HD2 PHE B 25 15.429 -5.226 -11.099 1.00 25.00 H new ATOM 0 HE1 PHE B 25 14.852 -4.693 -6.186 1.00 25.00 H new ATOM 0 HE2 PHE B 25 17.018 -6.354 -9.517 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.809 -5.936 -7.091 1.00 25.00 H new HETATM 707 N NVA B 26 10.810 -6.338 -9.071 1.00 25.00 N HETATM 708 CA NVA B 26 10.210 -6.768 -7.810 1.00 25.00 C HETATM 709 CB NVA B 26 9.477 -8.077 -7.956 1.00 25.00 C HETATM 710 CG NVA B 26 8.642 -8.515 -6.678 1.00 25.00 C HETATM 711 CD NVA B 26 8.188 -9.995 -6.859 1.00 25.00 C HETATM 712 C NVA B 26 11.279 -6.888 -6.739 1.00 25.00 C HETATM 713 O NVA B 26 12.372 -7.378 -6.941 1.00 25.00 O HETATM 0 HG3 NVA B 26 9.248 -8.413 -5.778 1.00 25.00 H new HETATM 0 HG2 NVA B 26 7.775 -7.867 -6.553 1.00 25.00 H new HETATM 0 HD3 NVA B 26 7.568 -10.079 -7.752 1.00 25.00 H new HETATM 0 HB3 NVA B 26 8.801 -8.006 -8.808 1.00 25.00 H new HETATM 0 HB2 NVA B 26 10.200 -8.859 -8.187 1.00 25.00 H new HETATM 0 HA NVA B 26 9.482 -6.012 -7.516 1.00 25.00 H new HETATM 0 H NVA B 26 10.702 -6.910 -9.908 1.00 25.00 H new ATOM 722 N THR B 27 10.953 -6.299 -5.555 1.00 25.00 N ATOM 723 CA THR B 27 11.866 -6.278 -4.391 1.00 25.00 C ATOM 724 C THR B 27 12.116 -7.751 -3.999 1.00 25.00 C ATOM 725 O THR B 27 11.299 -8.653 -4.304 1.00 25.00 O ATOM 726 CB THR B 27 11.275 -5.400 -3.219 1.00 25.00 C ATOM 727 OG1 THR B 27 9.954 -5.857 -2.878 1.00 25.00 O ATOM 728 CG2 THR B 27 11.195 -3.952 -3.607 1.00 25.00 C ATOM 0 H THR B 27 10.061 -5.833 -5.388 1.00 25.00 H new ATOM 0 HA THR B 27 12.818 -5.805 -4.631 1.00 25.00 H new ATOM 0 HB THR B 27 11.944 -5.502 -2.364 1.00 25.00 H new ATOM 0 HG1 THR B 27 9.596 -5.308 -2.149 1.00 25.00 H new ATOM 0 HG21 THR B 27 10.784 -3.375 -2.778 1.00 25.00 H new ATOM 0 HG22 THR B 27 12.193 -3.584 -3.846 1.00 25.00 H new ATOM 0 HG23 THR B 27 10.550 -3.844 -4.479 1.00 25.00 H new ATOM 736 N PRO B 28 13.270 -8.050 -3.382 1.00 25.00 N ATOM 737 CA PRO B 28 13.507 -9.462 -3.198 1.00 25.00 C ATOM 738 C PRO B 28 12.594 -10.112 -2.135 1.00 25.00 C ATOM 739 O PRO B 28 12.672 -9.801 -0.934 1.00 25.00 O ATOM 740 CB PRO B 28 14.977 -9.494 -2.798 1.00 25.00 C ATOM 741 CG PRO B 28 15.195 -8.213 -2.102 1.00 25.00 C ATOM 742 CD PRO B 28 14.421 -7.232 -2.903 1.00 25.00 C ATOM 0 HA PRO B 28 13.280 -10.044 -4.091 1.00 25.00 H new ATOM 0 HB2 PRO B 28 15.194 -10.342 -2.148 1.00 25.00 H new ATOM 0 HB3 PRO B 28 15.624 -9.588 -3.670 1.00 25.00 H new ATOM 0 HG2 PRO B 28 14.842 -8.254 -1.072 1.00 25.00 H new ATOM 0 HG3 PRO B 28 16.253 -7.953 -2.067 1.00 25.00 H new ATOM 0 HD2 PRO B 28 14.094 -6.383 -2.302 1.00 25.00 H new ATOM 0 HD3 PRO B 28 15.006 -6.830 -3.730 1.00 25.00 H new HETATM 750 N HIX B 29 11.774 -11.025 -2.676 1.00 25.00 N HETATM 751 CA HIX B 29 10.789 -11.828 -1.941 1.00 25.00 C HETATM 752 C HIX B 29 11.454 -12.711 -0.879 1.00 25.00 C HETATM 753 O HIX B 29 12.048 -13.749 -1.156 1.00 25.00 O HETATM 754 CB HIX B 29 9.857 -12.639 -2.897 1.00 25.00 C HETATM 755 CG HIX B 29 8.998 -11.834 -3.851 1.00 25.00 C HETATM 756 CD2 HIX B 29 9.487 -11.243 -5.015 1.00 25.00 C HETATM 757 ND1 HIX B 29 7.625 -11.621 -3.835 1.00 25.00 N HETATM 758 NE1 HIX B 29 7.117 -10.948 -4.918 1.00 25.00 N HETATM 759 NE2 HIX B 29 8.338 -10.757 -5.601 1.00 25.00 N ATOM 766 N THR B 30 11.437 -12.181 0.368 1.00 25.00 N ATOM 767 CA THR B 30 12.229 -12.738 1.505 1.00 25.00 C ATOM 768 C THR B 30 11.541 -12.650 2.846 1.00 25.00 C ATOM 769 O THR B 30 11.507 -13.600 3.602 1.00 25.00 O ATOM 770 CB THR B 30 13.586 -12.018 1.602 1.00 25.00 C ATOM 771 OG1 THR B 30 13.322 -10.624 1.467 1.00 25.00 O ATOM 772 CG2 THR B 30 14.581 -12.463 0.540 1.00 25.00 C ATOM 773 OXT THR B 30 11.106 -11.460 3.182 1.00 25.00 O ATOM 0 H THR B 30 10.881 -11.363 0.618 1.00 25.00 H new ATOM 0 HA THR B 30 12.352 -13.798 1.281 1.00 25.00 H new ATOM 0 HB THR B 30 14.048 -12.262 2.559 1.00 25.00 H new ATOM 0 HG1 THR B 30 13.438 -10.358 0.531 1.00 25.00 H new ATOM 0 HG21 THR B 30 15.516 -11.917 0.665 1.00 25.00 H new ATOM 0 HG22 THR B 30 14.769 -13.532 0.642 1.00 25.00 H new ATOM 0 HG23 THR B 30 14.172 -12.260 -0.450 1.00 25.00 H new TER 782 THR B 30