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 15 GLN : amide:sc= 0.309 K(o=0.96,f=-1.8) USER MOD Set 1.2: A 18 ASN : amide:sc= 0.652 K(o=0.96,f=-0.82) USER MOD Set 2.1: A 5 GLN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 52:sc= 1.17 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0581 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.122 K(o=0.12,f=-3!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.0848 X(o=-0.085,f=-0.021) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0165 USER MOD Single : B 10 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.14) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -76:sc= 0.502 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.958 0.965 0.380 1.00 25.00 N ATOM 2 CA GLY A 1 2.774 0.011 -0.411 1.00 25.00 C ATOM 3 C GLY A 1 1.975 -0.721 -1.479 1.00 25.00 C ATOM 4 O GLY A 1 1.257 -1.661 -1.230 1.00 25.00 O ATOM 0 H1 GLY A 1 2.559 1.431 1.090 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.551 1.682 -0.254 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.191 0.452 0.859 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.593 0.551 -0.886 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.222 -0.719 0.263 1.00 25.00 H new ATOM 9 N ILE A 2 2.101 -0.241 -2.720 1.00 25.00 N ATOM 10 CA ILE A 2 1.318 -0.732 -3.856 1.00 25.00 C ATOM 11 C ILE A 2 1.352 -2.268 -4.040 1.00 25.00 C ATOM 12 O ILE A 2 0.336 -2.885 -4.363 1.00 25.00 O ATOM 13 CB ILE A 2 1.792 0.017 -5.164 1.00 25.00 C ATOM 14 CG1 ILE A 2 0.882 -0.338 -6.362 1.00 25.00 C ATOM 15 CG2 ILE A 2 3.286 -0.310 -5.503 1.00 25.00 C ATOM 16 CD1 ILE A 2 -0.512 0.284 -6.313 1.00 25.00 C ATOM 0 H ILE A 2 2.753 0.504 -2.965 1.00 25.00 H new ATOM 0 HA ILE A 2 0.272 -0.508 -3.647 1.00 25.00 H new ATOM 0 HB ILE A 2 1.716 1.087 -4.972 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.374 -0.020 -7.281 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.779 -1.422 -6.414 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.578 0.222 -6.408 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.924 0.003 -4.676 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.397 -1.383 -5.661 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -1.078 -0.021 -7.194 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -1.029 -0.053 -5.415 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -0.425 1.370 -6.296 1.00 25.00 H new ATOM 28 N VAL A 3 2.481 -2.892 -3.772 1.00 25.00 N ATOM 29 CA VAL A 3 2.591 -4.346 -3.889 1.00 25.00 C ATOM 30 C VAL A 3 1.748 -5.024 -2.803 1.00 25.00 C ATOM 31 O VAL A 3 0.997 -5.953 -3.072 1.00 25.00 O ATOM 32 CB VAL A 3 4.086 -4.788 -3.758 1.00 25.00 C ATOM 33 CG1 VAL A 3 4.236 -6.312 -3.631 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.891 -4.303 -4.983 1.00 25.00 C ATOM 0 H VAL A 3 3.336 -2.424 -3.472 1.00 25.00 H new ATOM 0 HA VAL A 3 2.220 -4.648 -4.868 1.00 25.00 H new ATOM 0 HB VAL A 3 4.473 -4.334 -2.845 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.292 -6.568 -3.543 1.00 25.00 H new ATOM 0 HG12 VAL A 3 3.704 -6.657 -2.745 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.819 -6.794 -4.515 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.930 -4.616 -4.882 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.468 -4.735 -5.890 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.843 -3.216 -5.042 1.00 25.00 H new ATOM 44 N GLU A 4 1.858 -4.534 -1.582 1.00 25.00 N ATOM 45 CA GLU A 4 1.140 -5.122 -0.444 1.00 25.00 C ATOM 46 C GLU A 4 -0.358 -4.861 -0.569 1.00 25.00 C ATOM 47 O GLU A 4 -1.161 -5.602 -0.038 1.00 25.00 O ATOM 48 CB GLU A 4 1.664 -4.543 0.872 1.00 25.00 C ATOM 49 CG GLU A 4 3.154 -4.856 1.108 1.00 25.00 C ATOM 50 CD GLU A 4 3.668 -4.296 2.402 1.00 25.00 C ATOM 51 OE1 GLU A 4 3.026 -3.587 3.115 1.00 25.00 O ATOM 52 OE2 GLU A 4 4.878 -4.639 2.667 1.00 25.00 O ATOM 0 H GLU A 4 2.437 -3.729 -1.343 1.00 25.00 H new ATOM 0 HA GLU A 4 1.311 -6.199 -0.447 1.00 25.00 H new ATOM 0 HB2 GLU A 4 1.520 -3.463 0.872 1.00 25.00 H new ATOM 0 HB3 GLU A 4 1.078 -4.943 1.699 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.299 -5.936 1.102 1.00 25.00 H new ATOM 0 HG3 GLU A 4 3.741 -4.451 0.284 1.00 25.00 H new ATOM 60 N GLN A 5 -0.706 -3.807 -1.281 1.00 25.00 N ATOM 61 CA GLN A 5 -2.094 -3.422 -1.478 1.00 25.00 C ATOM 62 C GLN A 5 -2.774 -4.186 -2.631 1.00 25.00 C ATOM 63 O GLN A 5 -3.946 -4.541 -2.539 1.00 25.00 O ATOM 64 CB GLN A 5 -2.166 -1.915 -1.763 1.00 25.00 C ATOM 65 CG GLN A 5 -3.577 -1.317 -1.669 1.00 25.00 C ATOM 66 CD GLN A 5 -3.832 -0.631 -0.333 1.00 25.00 C ATOM 67 OE1 GLN A 5 -3.977 0.571 -0.268 1.00 25.00 O ATOM 68 NE2 GLN A 5 -3.925 -1.399 0.718 1.00 25.00 N ATOM 0 H GLN A 5 -0.035 -3.191 -1.741 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.629 -3.675 -0.563 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.516 -1.394 -1.060 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.771 -1.727 -2.761 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.718 -0.598 -2.476 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -4.313 -2.107 -1.814 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.797 -2.407 0.626 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.126 -0.991 1.631 1.00 25.00 H new ATOM 77 N CYS A 6 -2.053 -4.410 -3.725 1.00 25.00 N ATOM 78 CA CYS A 6 -2.641 -4.997 -4.933 1.00 25.00 C ATOM 79 C CYS A 6 -2.188 -6.405 -5.291 1.00 25.00 C ATOM 80 O CYS A 6 -2.976 -7.186 -5.812 1.00 25.00 O ATOM 81 CB CYS A 6 -2.329 -4.096 -6.122 1.00 25.00 C ATOM 82 SG CYS A 6 -3.227 -2.523 -6.071 1.00 25.00 S ATOM 0 H CYS A 6 -1.059 -4.195 -3.804 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.705 -5.075 -4.708 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.258 -3.896 -6.148 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.578 -4.621 -7.044 1.00 25.00 H new ATOM 87 N CYS A 7 -0.928 -6.736 -5.056 1.00 25.00 N ATOM 88 CA CYS A 7 -0.463 -8.083 -5.372 1.00 25.00 C ATOM 89 C CYS A 7 -1.010 -8.986 -4.280 1.00 25.00 C ATOM 90 O CYS A 7 -1.664 -9.993 -4.546 1.00 25.00 O ATOM 91 CB CYS A 7 1.071 -8.156 -5.422 1.00 25.00 C ATOM 92 SG CYS A 7 1.835 -7.034 -6.631 1.00 25.00 S ATOM 0 H CYS A 7 -0.224 -6.113 -4.659 1.00 25.00 H new ATOM 0 HA CYS A 7 -0.812 -8.390 -6.358 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.466 -7.928 -4.432 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.367 -9.179 -5.656 1.00 25.00 H new ATOM 97 N THR A 8 -0.757 -8.589 -3.044 1.00 25.00 N ATOM 98 CA THR A 8 -1.172 -9.357 -1.877 1.00 25.00 C ATOM 99 C THR A 8 -2.679 -9.334 -1.617 1.00 25.00 C ATOM 100 O THR A 8 -3.287 -10.384 -1.421 1.00 25.00 O ATOM 101 CB THR A 8 -0.447 -8.818 -0.643 1.00 25.00 C ATOM 102 OG1 THR A 8 0.951 -8.761 -0.924 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.649 -9.704 0.567 1.00 25.00 C ATOM 0 H THR A 8 -0.259 -7.727 -2.819 1.00 25.00 H new ATOM 0 HA THR A 8 -0.909 -10.395 -2.081 1.00 25.00 H new ATOM 0 HB THR A 8 -0.855 -7.833 -0.419 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.428 -8.415 -0.141 1.00 25.00 H new ATOM 0 HG21 THR A 8 -0.116 -9.283 1.420 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.712 -9.767 0.798 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.264 -10.702 0.356 1.00 25.00 H new ATOM 111 N SER A 9 -3.292 -8.160 -1.627 1.00 25.00 N ATOM 112 CA SER A 9 -4.722 -8.030 -1.330 1.00 25.00 C ATOM 113 C SER A 9 -5.479 -7.496 -2.530 1.00 25.00 C ATOM 114 O SER A 9 -4.909 -7.308 -3.590 1.00 25.00 O ATOM 115 CB SER A 9 -4.930 -7.119 -0.113 1.00 25.00 C ATOM 116 OG SER A 9 -4.258 -5.887 -0.253 1.00 25.00 O ATOM 0 H SER A 9 -2.825 -7.278 -1.837 1.00 25.00 H new ATOM 0 HA SER A 9 -5.115 -9.020 -1.098 1.00 25.00 H new ATOM 0 HB2 SER A 9 -5.996 -6.937 0.025 1.00 25.00 H new ATOM 0 HB3 SER A 9 -4.574 -7.626 0.784 1.00 25.00 H new ATOM 0 HG SER A 9 -4.494 -5.482 -1.114 1.00 25.00 H new ATOM 122 N ILE A 10 -6.770 -7.287 -2.364 1.00 25.00 N ATOM 123 CA ILE A 10 -7.614 -6.748 -3.429 1.00 25.00 C ATOM 124 C ILE A 10 -7.541 -5.234 -3.343 1.00 25.00 C ATOM 125 O ILE A 10 -7.688 -4.661 -2.265 1.00 25.00 O ATOM 126 CB ILE A 10 -9.107 -7.186 -3.247 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.273 -8.716 -3.331 1.00 25.00 C ATOM 128 CG2 ILE A 10 -10.044 -6.490 -4.291 1.00 25.00 C ATOM 129 CD1 ILE A 10 -8.998 -9.340 -4.700 1.00 25.00 C ATOM 0 H ILE A 10 -7.268 -7.482 -1.495 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.264 -7.121 -4.392 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.402 -6.865 -2.248 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.605 -9.176 -2.602 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.291 -8.969 -3.035 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -11.071 -6.818 -4.134 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -9.986 -5.409 -4.168 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.728 -6.758 -5.299 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.145 -10.419 -4.644 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.682 -8.918 -5.436 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -7.971 -9.128 -4.997 1.00 25.00 H new ATOM 141 N CYS A 11 -7.365 -4.577 -4.476 1.00 25.00 N ATOM 142 CA CYS A 11 -7.338 -3.122 -4.523 1.00 25.00 C ATOM 143 C CYS A 11 -8.238 -2.678 -5.669 1.00 25.00 C ATOM 144 O CYS A 11 -8.656 -3.500 -6.482 1.00 25.00 O ATOM 145 CB CYS A 11 -5.903 -2.620 -4.698 1.00 25.00 C ATOM 146 SG CYS A 11 -5.174 -3.064 -6.295 1.00 25.00 S ATOM 0 H CYS A 11 -7.238 -5.029 -5.381 1.00 25.00 H new ATOM 0 HA CYS A 11 -7.706 -2.697 -3.589 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -5.890 -1.535 -4.590 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.284 -3.027 -3.899 1.00 25.00 H new ATOM 151 N SER A 12 -8.563 -1.394 -5.702 1.00 25.00 N ATOM 152 CA SER A 12 -9.506 -0.846 -6.695 1.00 25.00 C ATOM 153 C SER A 12 -8.960 0.474 -7.199 1.00 25.00 C ATOM 154 O SER A 12 -8.010 1.017 -6.628 1.00 25.00 O ATOM 155 CB SER A 12 -10.882 -0.619 -6.058 1.00 25.00 C ATOM 156 OG SER A 12 -11.849 -0.283 -7.037 1.00 25.00 O ATOM 0 H SER A 12 -8.191 -0.700 -5.053 1.00 25.00 H new ATOM 0 HA SER A 12 -9.617 -1.552 -7.518 1.00 25.00 H new ATOM 0 HB2 SER A 12 -11.194 -1.519 -5.529 1.00 25.00 H new ATOM 0 HB3 SER A 12 -10.816 0.179 -5.318 1.00 25.00 H new ATOM 0 HG SER A 12 -12.718 -0.145 -6.605 1.00 25.00 H new ATOM 162 N LEU A 13 -9.591 1.017 -8.240 1.00 25.00 N ATOM 163 CA LEU A 13 -9.175 2.285 -8.843 1.00 25.00 C ATOM 164 C LEU A 13 -9.101 3.410 -7.791 1.00 25.00 C ATOM 165 O LEU A 13 -8.242 4.289 -7.867 1.00 25.00 O ATOM 166 CB LEU A 13 -10.140 2.660 -9.963 1.00 25.00 C ATOM 167 CG LEU A 13 -11.599 2.985 -9.593 1.00 25.00 C ATOM 168 CD1 LEU A 13 -11.971 4.384 -10.054 1.00 25.00 C ATOM 169 CD2 LEU A 13 -12.538 1.953 -10.205 1.00 25.00 C ATOM 0 H LEU A 13 -10.403 0.592 -8.689 1.00 25.00 H new ATOM 0 HA LEU A 13 -8.175 2.159 -9.257 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -9.728 3.526 -10.481 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -10.154 1.838 -10.679 1.00 25.00 H new ATOM 0 HG LEU A 13 -11.698 2.948 -8.508 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -13.006 4.593 -9.783 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -11.316 5.111 -9.575 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -11.859 4.452 -11.136 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -13.567 2.193 -9.937 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -12.434 1.964 -11.290 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -12.286 0.962 -9.827 1.00 25.00 H new ATOM 181 N TYR A 14 -9.956 3.324 -6.780 1.00 25.00 N ATOM 182 CA TYR A 14 -9.993 4.300 -5.692 1.00 25.00 C ATOM 183 C TYR A 14 -8.652 4.404 -4.972 1.00 25.00 C ATOM 184 O TYR A 14 -8.181 5.494 -4.692 1.00 25.00 O ATOM 185 CB TYR A 14 -11.074 3.866 -4.701 1.00 25.00 C ATOM 186 CG TYR A 14 -11.311 4.853 -3.581 1.00 25.00 C ATOM 187 CD1 TYR A 14 -12.256 5.882 -3.719 1.00 25.00 C ATOM 188 CD2 TYR A 14 -10.590 4.761 -2.372 1.00 25.00 C ATOM 189 CE1 TYR A 14 -12.470 6.810 -2.676 1.00 25.00 C ATOM 190 CE2 TYR A 14 -10.805 5.688 -1.327 1.00 25.00 C ATOM 191 CZ TYR A 14 -11.743 6.713 -1.495 1.00 25.00 C ATOM 192 OH TYR A 14 -11.949 7.622 -0.478 1.00 25.00 O ATOM 0 H TYR A 14 -10.644 2.577 -6.689 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.213 5.282 -6.110 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -12.008 3.714 -5.241 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.794 2.904 -4.271 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.826 5.965 -4.633 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -9.864 3.972 -2.243 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.200 7.597 -2.796 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -10.249 5.606 -0.405 1.00 25.00 H new ATOM 0 HH TYR A 14 -11.360 7.409 0.276 1.00 25.00 H new ATOM 202 N GLN A 15 -8.027 3.264 -4.694 1.00 25.00 N ATOM 203 CA GLN A 15 -6.708 3.262 -4.059 1.00 25.00 C ATOM 204 C GLN A 15 -5.619 3.536 -5.078 1.00 25.00 C ATOM 205 O GLN A 15 -4.666 4.232 -4.777 1.00 25.00 O ATOM 206 CB GLN A 15 -6.402 1.936 -3.342 1.00 25.00 C ATOM 207 CG GLN A 15 -6.880 1.904 -1.885 1.00 25.00 C ATOM 208 CD GLN A 15 -6.202 2.958 -1.002 1.00 25.00 C ATOM 209 OE1 GLN A 15 -5.207 3.544 -1.372 1.00 25.00 O ATOM 210 NE2 GLN A 15 -6.781 3.227 0.137 1.00 25.00 N ATOM 0 H GLN A 15 -8.405 2.338 -4.895 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.727 4.056 -3.312 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -6.873 1.119 -3.889 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.327 1.758 -3.367 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.959 2.058 -1.860 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -6.690 0.915 -1.469 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.617 2.715 0.418 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.397 3.950 0.746 1.00 25.00 H new ATOM 219 N LEU A 16 -5.761 3.004 -6.285 1.00 25.00 N ATOM 220 CA LEU A 16 -4.745 3.188 -7.336 1.00 25.00 C ATOM 221 C LEU A 16 -4.495 4.678 -7.577 1.00 25.00 C ATOM 222 O LEU A 16 -3.363 5.094 -7.773 1.00 25.00 O ATOM 223 CB LEU A 16 -5.194 2.515 -8.626 1.00 25.00 C ATOM 224 CG LEU A 16 -4.773 1.067 -8.919 1.00 25.00 C ATOM 225 CD1 LEU A 16 -3.366 0.977 -9.456 1.00 25.00 C ATOM 226 CD2 LEU A 16 -4.893 0.143 -7.736 1.00 25.00 C ATOM 0 H LEU A 16 -6.564 2.442 -6.569 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.814 2.727 -7.006 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -6.283 2.547 -8.647 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -4.841 3.130 -9.454 1.00 25.00 H new ATOM 0 HG LEU A 16 -5.482 0.737 -9.679 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -3.116 -0.066 -9.647 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -3.294 1.543 -10.384 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.670 1.389 -8.725 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -4.577 -0.860 -8.024 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -4.259 0.504 -6.926 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -5.930 0.115 -7.400 1.00 25.00 H new ATOM 238 N GLU A 17 -5.546 5.483 -7.515 1.00 25.00 N ATOM 239 CA GLU A 17 -5.423 6.927 -7.705 1.00 25.00 C ATOM 240 C GLU A 17 -4.546 7.601 -6.652 1.00 25.00 C ATOM 241 O GLU A 17 -3.923 8.627 -6.932 1.00 25.00 O ATOM 242 CB GLU A 17 -6.806 7.590 -7.691 1.00 25.00 C ATOM 243 CG GLU A 17 -7.545 7.415 -9.000 1.00 25.00 C ATOM 244 CD GLU A 17 -8.871 8.104 -9.018 1.00 25.00 C ATOM 245 OE1 GLU A 17 -9.919 7.531 -9.125 1.00 25.00 O ATOM 246 OE2 GLU A 17 -8.776 9.391 -8.944 1.00 25.00 O ATOM 0 H GLU A 17 -6.497 5.163 -7.334 1.00 25.00 H new ATOM 0 HA GLU A 17 -4.942 7.061 -8.674 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -7.401 7.166 -6.882 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -6.694 8.653 -7.480 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -6.930 7.801 -9.813 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -7.692 6.352 -9.189 1.00 25.00 H new ATOM 254 N ASN A 18 -4.429 7.030 -5.462 1.00 25.00 N ATOM 255 CA ASN A 18 -3.580 7.641 -4.442 1.00 25.00 C ATOM 256 C ASN A 18 -2.106 7.475 -4.805 1.00 25.00 C ATOM 257 O ASN A 18 -1.266 8.203 -4.308 1.00 25.00 O ATOM 258 CB ASN A 18 -3.833 7.018 -3.070 1.00 25.00 C ATOM 259 CG ASN A 18 -5.201 7.316 -2.546 1.00 25.00 C ATOM 260 OD1 ASN A 18 -5.696 8.419 -2.685 1.00 25.00 O ATOM 261 ND2 ASN A 18 -5.830 6.339 -1.971 1.00 25.00 N ATOM 0 H ASN A 18 -4.896 6.168 -5.180 1.00 25.00 H new ATOM 0 HA ASN A 18 -3.828 8.702 -4.399 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -3.701 5.938 -3.136 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -3.089 7.388 -2.364 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -6.776 6.480 -1.615 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.379 5.429 -1.874 1.00 25.00 H new ATOM 268 N TYR A 19 -1.804 6.543 -5.702 1.00 25.00 N ATOM 269 CA TYR A 19 -0.426 6.323 -6.148 1.00 25.00 C ATOM 270 C TYR A 19 -0.145 7.165 -7.386 1.00 25.00 C ATOM 271 O TYR A 19 0.934 7.095 -7.976 1.00 25.00 O ATOM 272 CB TYR A 19 -0.238 4.854 -6.481 1.00 25.00 C ATOM 273 CG TYR A 19 -0.519 3.946 -5.291 1.00 25.00 C ATOM 274 CD1 TYR A 19 0.442 3.733 -4.276 1.00 25.00 C ATOM 275 CD2 TYR A 19 -1.751 3.308 -5.182 1.00 25.00 C ATOM 276 CE1 TYR A 19 0.153 2.870 -3.179 1.00 25.00 C ATOM 277 CE2 TYR A 19 -2.051 2.451 -4.097 1.00 25.00 C ATOM 278 CZ TYR A 19 -1.098 2.227 -3.107 1.00 25.00 C ATOM 279 OH TYR A 19 -1.364 1.394 -2.061 1.00 25.00 O ATOM 0 H TYR A 19 -2.491 5.927 -6.136 1.00 25.00 H new ATOM 0 HA TYR A 19 0.263 6.612 -5.355 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -0.899 4.584 -7.304 1.00 25.00 H new ATOM 0 HB3 TYR A 19 0.783 4.691 -6.826 1.00 25.00 H new ATOM 0 HD1 TYR A 19 1.401 4.227 -4.332 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -2.497 3.471 -5.945 1.00 25.00 H new ATOM 0 HE1 TYR A 19 0.890 2.710 -2.406 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -3.017 1.972 -4.037 1.00 25.00 H new ATOM 0 HH TYR A 19 -2.269 1.029 -2.155 1.00 25.00 H new ATOM 289 N CYS A 20 -1.146 7.951 -7.770 1.00 25.00 N ATOM 290 CA CYS A 20 -1.033 8.883 -8.898 1.00 25.00 C ATOM 291 C CYS A 20 -0.920 10.277 -8.314 1.00 25.00 C ATOM 292 O CYS A 20 0.008 11.020 -8.605 1.00 25.00 O ATOM 293 CB CYS A 20 -2.271 8.774 -9.779 1.00 25.00 C ATOM 294 SG CYS A 20 -2.296 9.961 -11.159 1.00 25.00 S ATOM 0 H CYS A 20 -2.058 7.964 -7.313 1.00 25.00 H new ATOM 0 HA CYS A 20 -0.162 8.655 -9.513 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -2.332 7.763 -10.181 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -3.158 8.927 -9.164 1.00 25.00 H new ATOM 299 N ASN A 21 -1.894 10.612 -7.441 1.00 25.00 N ATOM 300 CA ASN A 21 -1.971 11.888 -6.702 1.00 25.00 C ATOM 301 C ASN A 21 -1.759 13.128 -7.584 1.00 25.00 C ATOM 302 O ASN A 21 -0.825 13.902 -7.513 1.00 25.00 O ATOM 303 CB ASN A 21 -1.040 11.854 -5.470 1.00 25.00 C ATOM 304 CG ASN A 21 -1.287 13.050 -4.594 1.00 25.00 C ATOM 305 OD1 ASN A 21 -2.359 13.583 -4.468 1.00 25.00 O ATOM 306 ND2 ASN A 21 -0.237 13.507 -3.908 1.00 25.00 N ATOM 307 OXT ASN A 21 -2.712 13.322 -8.428 1.00 25.00 O ATOM 0 H ASN A 21 -2.669 9.985 -7.226 1.00 25.00 H new ATOM 0 HA ASN A 21 -2.996 11.990 -6.344 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -1.210 10.939 -4.903 1.00 25.00 H new ATOM 0 HB3 ASN A 21 0.001 11.840 -5.793 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -0.345 14.304 -3.281 1.00 25.00 H new ATOM 0 HD22 ASN A 21 0.674 13.059 -4.011 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -12.396 -0.806 -15.607 1.00 25.00 N ATOM 317 CA PHE B 1 -11.695 -1.233 -14.375 1.00 25.00 C ATOM 318 C PHE B 1 -12.543 -2.084 -13.427 1.00 25.00 C ATOM 319 O PHE B 1 -13.676 -1.784 -13.110 1.00 25.00 O ATOM 320 CB PHE B 1 -11.222 0.039 -13.639 1.00 25.00 C ATOM 321 CG PHE B 1 -10.112 -0.182 -12.619 1.00 25.00 C ATOM 322 CD1 PHE B 1 -10.363 -0.891 -11.447 1.00 25.00 C ATOM 323 CD2 PHE B 1 -8.841 0.339 -12.861 1.00 25.00 C ATOM 324 CE1 PHE B 1 -9.334 -1.107 -10.535 1.00 25.00 C ATOM 325 CE2 PHE B 1 -7.819 0.145 -11.937 1.00 25.00 C ATOM 326 CZ PHE B 1 -8.062 -0.581 -10.772 1.00 25.00 C ATOM 0 H1 PHE B 1 -11.753 -0.236 -16.192 1.00 25.00 H new ATOM 0 H2 PHE B 1 -12.699 -1.645 -16.142 1.00 25.00 H new ATOM 0 H3 PHE B 1 -13.229 -0.237 -15.353 1.00 25.00 H new ATOM 0 HA PHE B 1 -10.866 -1.872 -14.678 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -10.877 0.761 -14.379 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -12.077 0.486 -13.132 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -11.353 -1.272 -11.246 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -8.650 0.894 -13.767 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -9.520 -1.683 -9.641 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -6.838 0.557 -12.122 1.00 25.00 H new ATOM 0 HZ PHE B 1 -7.269 -0.736 -10.055 1.00 25.00 H new ATOM 337 N VAL B 2 -11.941 -3.165 -12.900 1.00 25.00 N ATOM 338 CA VAL B 2 -12.578 -3.999 -11.881 1.00 25.00 C ATOM 339 C VAL B 2 -11.522 -4.298 -10.810 1.00 25.00 C ATOM 340 O VAL B 2 -10.338 -4.387 -11.100 1.00 25.00 O ATOM 341 CB VAL B 2 -13.177 -5.324 -12.499 1.00 25.00 C ATOM 342 CG1 VAL B 2 -12.072 -6.244 -13.040 1.00 25.00 C ATOM 343 CG2 VAL B 2 -14.027 -6.074 -11.477 1.00 25.00 C ATOM 0 H VAL B 2 -11.008 -3.478 -13.169 1.00 25.00 H new ATOM 0 HA VAL B 2 -13.424 -3.473 -11.439 1.00 25.00 H new ATOM 0 HB VAL B 2 -13.814 -5.028 -13.333 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -12.521 -7.145 -13.457 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -11.513 -5.723 -13.818 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.397 -6.517 -12.229 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -14.426 -6.981 -11.931 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -13.412 -6.339 -10.617 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -14.851 -5.438 -11.152 1.00 25.00 H new ATOM 353 N ASN B 3 -11.973 -4.366 -9.575 1.00 25.00 N ATOM 354 CA ASN B 3 -11.104 -4.600 -8.429 1.00 25.00 C ATOM 355 C ASN B 3 -10.731 -6.085 -8.345 1.00 25.00 C ATOM 356 O ASN B 3 -11.597 -6.941 -8.362 1.00 25.00 O ATOM 357 CB ASN B 3 -11.795 -4.147 -7.146 1.00 25.00 C ATOM 358 CG ASN B 3 -13.103 -4.847 -6.911 1.00 25.00 C ATOM 359 OD1 ASN B 3 -14.051 -4.706 -7.671 1.00 25.00 O ATOM 360 ND2 ASN B 3 -13.169 -5.577 -5.855 1.00 25.00 N ATOM 0 H ASN B 3 -12.958 -4.261 -9.331 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.189 -4.020 -8.553 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -11.134 -4.329 -6.299 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -11.967 -3.072 -7.191 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -14.035 -6.065 -5.625 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -12.355 -5.669 -5.247 1.00 25.00 H new ATOM 367 N GLN B 4 -9.433 -6.357 -8.299 1.00 25.00 N ATOM 368 CA GLN B 4 -8.906 -7.722 -8.316 1.00 25.00 C ATOM 369 C GLN B 4 -7.449 -7.637 -7.862 1.00 25.00 C ATOM 370 O GLN B 4 -6.934 -6.547 -7.655 1.00 25.00 O ATOM 371 CB GLN B 4 -8.988 -8.312 -9.732 1.00 25.00 C ATOM 372 CG GLN B 4 -8.194 -7.533 -10.779 1.00 25.00 C ATOM 373 CD GLN B 4 -8.362 -8.073 -12.174 1.00 25.00 C ATOM 374 OE1 GLN B 4 -8.066 -9.222 -12.440 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.830 -7.249 -13.071 1.00 25.00 N ATOM 0 H GLN B 4 -8.712 -5.638 -8.249 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.485 -8.370 -7.658 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.626 -9.340 -9.707 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.033 -8.350 -10.038 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -8.507 -6.489 -10.760 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.137 -7.554 -10.513 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -9.067 -6.292 -12.810 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.959 -7.562 -14.033 1.00 25.00 H new ATOM 384 N HIS B 5 -6.782 -8.777 -7.756 1.00 25.00 N ATOM 385 CA HIS B 5 -5.354 -8.782 -7.459 1.00 25.00 C ATOM 386 C HIS B 5 -4.617 -8.330 -8.721 1.00 25.00 C ATOM 387 O HIS B 5 -4.941 -8.773 -9.820 1.00 25.00 O ATOM 388 CB HIS B 5 -4.884 -10.189 -7.073 1.00 25.00 C ATOM 389 CG HIS B 5 -5.417 -10.647 -5.752 1.00 25.00 C ATOM 390 ND1 HIS B 5 -4.864 -10.255 -4.531 1.00 25.00 N ATOM 391 CD2 HIS B 5 -6.468 -11.443 -5.418 1.00 25.00 C ATOM 392 CE1 HIS B 5 -5.573 -10.807 -3.549 1.00 25.00 C ATOM 393 NE2 HIS B 5 -6.529 -11.534 -4.059 1.00 25.00 N ATOM 0 H HIS B 5 -7.199 -9.701 -7.869 1.00 25.00 H new ATOM 0 HA HIS B 5 -5.149 -8.115 -6.622 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -5.193 -10.893 -7.846 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -3.795 -10.206 -7.043 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.141 -11.923 -6.113 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -5.386 -10.674 -2.494 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -7.209 -12.080 -3.529 1.00 25.00 H new ATOM 402 N LEU B 6 -3.655 -7.444 -8.567 1.00 25.00 N ATOM 403 CA LEU B 6 -2.906 -6.896 -9.697 1.00 25.00 C ATOM 404 C LEU B 6 -1.459 -6.830 -9.299 1.00 25.00 C ATOM 405 O LEU B 6 -1.151 -6.458 -8.193 1.00 25.00 O ATOM 406 CB LEU B 6 -3.420 -5.483 -10.026 1.00 25.00 C ATOM 407 CG LEU B 6 -4.800 -5.439 -10.677 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.438 -4.077 -10.437 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.709 -5.746 -12.169 1.00 25.00 C ATOM 0 H LEU B 6 -3.365 -7.079 -7.660 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.031 -7.524 -10.579 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.449 -4.899 -9.106 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.705 -4.997 -10.690 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.428 -6.205 -10.223 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.423 -4.049 -10.903 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.539 -3.906 -9.365 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.809 -3.299 -10.871 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.705 -5.708 -12.610 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.070 -5.008 -12.654 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.287 -6.741 -12.311 1.00 25.00 H new ATOM 421 N CYS B 7 -0.570 -7.186 -10.205 1.00 25.00 N ATOM 422 CA CYS B 7 0.857 -7.160 -9.901 1.00 25.00 C ATOM 423 C CYS B 7 1.637 -6.897 -11.180 1.00 25.00 C ATOM 424 O CYS B 7 1.079 -6.975 -12.279 1.00 25.00 O ATOM 425 CB CYS B 7 1.284 -8.477 -9.243 1.00 25.00 C ATOM 426 SG CYS B 7 2.635 -8.248 -8.053 1.00 25.00 S ATOM 0 H CYS B 7 -0.801 -7.494 -11.149 1.00 25.00 H new ATOM 0 HA CYS B 7 1.070 -6.358 -9.194 1.00 25.00 H new ATOM 0 HB2 CYS B 7 0.428 -8.921 -8.736 1.00 25.00 H new ATOM 0 HB3 CYS B 7 1.598 -9.181 -10.014 1.00 25.00 H new ATOM 431 N GLY B 8 2.918 -6.561 -11.026 1.00 25.00 N ATOM 432 CA GLY B 8 3.800 -6.308 -12.163 1.00 25.00 C ATOM 433 C GLY B 8 3.260 -5.364 -13.208 1.00 25.00 C ATOM 434 O GLY B 8 2.648 -4.338 -12.910 1.00 25.00 O ATOM 0 H GLY B 8 3.369 -6.457 -10.117 1.00 25.00 H new ATOM 0 HA2 GLY B 8 4.741 -5.906 -11.788 1.00 25.00 H new ATOM 0 HA3 GLY B 8 4.028 -7.260 -12.642 1.00 25.00 H new ATOM 438 N SER B 9 3.438 -5.745 -14.462 1.00 25.00 N ATOM 439 CA SER B 9 2.977 -4.944 -15.597 1.00 25.00 C ATOM 440 C SER B 9 1.463 -4.790 -15.585 1.00 25.00 C ATOM 441 O SER B 9 0.952 -3.770 -16.015 1.00 25.00 O ATOM 442 CB SER B 9 3.416 -5.640 -16.889 1.00 25.00 C ATOM 443 OG SER B 9 3.109 -7.023 -16.814 1.00 25.00 O ATOM 0 H SER B 9 3.903 -6.613 -14.727 1.00 25.00 H new ATOM 0 HA SER B 9 3.412 -3.947 -15.530 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.912 -5.191 -17.745 1.00 25.00 H new ATOM 0 HB3 SER B 9 4.486 -5.503 -17.042 1.00 25.00 H new ATOM 0 HG SER B 9 3.389 -7.466 -17.642 1.00 25.00 H new ATOM 449 N HIS B 10 0.743 -5.774 -15.052 1.00 25.00 N ATOM 450 CA HIS B 10 -0.714 -5.661 -14.953 1.00 25.00 C ATOM 451 C HIS B 10 -1.090 -4.556 -13.965 1.00 25.00 C ATOM 452 O HIS B 10 -2.036 -3.807 -14.190 1.00 25.00 O ATOM 453 CB HIS B 10 -1.331 -6.987 -14.521 1.00 25.00 C ATOM 454 CG HIS B 10 -2.701 -7.169 -15.072 1.00 25.00 C ATOM 455 ND1 HIS B 10 -3.536 -8.248 -14.776 1.00 25.00 N ATOM 456 CD2 HIS B 10 -3.418 -6.404 -15.938 1.00 25.00 C ATOM 457 CE1 HIS B 10 -4.676 -8.092 -15.440 1.00 25.00 C ATOM 458 NE2 HIS B 10 -4.622 -6.988 -16.133 1.00 25.00 N ATOM 0 H HIS B 10 1.133 -6.643 -14.688 1.00 25.00 H new ATOM 0 HA HIS B 10 -1.107 -5.405 -15.937 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -0.695 -7.808 -14.852 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.369 -7.032 -13.433 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.082 -5.484 -16.394 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -5.515 -8.772 -15.411 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -5.368 -6.624 -16.726 1.00 25.00 H new ATOM 467 N LEU B 11 -0.316 -4.434 -12.893 1.00 25.00 N ATOM 468 CA LEU B 11 -0.492 -3.338 -11.932 1.00 25.00 C ATOM 469 C LEU B 11 -0.213 -1.998 -12.607 1.00 25.00 C ATOM 470 O LEU B 11 -0.997 -1.049 -12.471 1.00 25.00 O ATOM 471 CB LEU B 11 0.463 -3.482 -10.727 1.00 25.00 C ATOM 472 CG LEU B 11 -0.180 -3.372 -9.338 1.00 25.00 C ATOM 473 CD1 LEU B 11 0.912 -3.531 -8.286 1.00 25.00 C ATOM 474 CD2 LEU B 11 -0.925 -2.069 -9.154 1.00 25.00 C ATOM 0 H LEU B 11 0.441 -5.078 -12.662 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.522 -3.381 -11.578 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.962 -4.449 -10.798 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.236 -2.718 -10.809 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.922 -4.163 -9.230 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.473 -3.455 -7.291 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.388 -4.505 -8.400 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.658 -2.746 -8.414 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.362 -2.038 -8.156 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.234 -1.235 -9.273 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.717 -1.994 -9.900 1.00 25.00 H new ATOM 486 N VAL B 12 0.880 -1.911 -13.357 1.00 25.00 N ATOM 487 CA VAL B 12 1.230 -0.664 -14.060 1.00 25.00 C ATOM 488 C VAL B 12 0.132 -0.302 -15.061 1.00 25.00 C ATOM 489 O VAL B 12 -0.286 0.849 -15.149 1.00 25.00 O ATOM 490 CB VAL B 12 2.614 -0.787 -14.782 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.970 0.526 -15.512 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.725 -1.115 -13.766 1.00 25.00 C ATOM 0 H VAL B 12 1.539 -2.677 -13.499 1.00 25.00 H new ATOM 0 HA VAL B 12 1.313 0.133 -13.321 1.00 25.00 H new ATOM 0 HB VAL B 12 2.538 -1.593 -15.511 1.00 25.00 H new ATOM 0 HG11 VAL B 12 3.935 0.417 -16.006 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.205 0.748 -16.256 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.022 1.341 -14.790 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.680 -1.197 -14.285 1.00 25.00 H new ATOM 0 HG22 VAL B 12 3.783 -0.321 -13.022 1.00 25.00 H new ATOM 0 HG23 VAL B 12 3.499 -2.060 -13.272 1.00 25.00 H new ATOM 502 N GLU B 13 -0.383 -1.292 -15.771 1.00 25.00 N ATOM 503 CA GLU B 13 -1.494 -1.104 -16.704 1.00 25.00 C ATOM 504 C GLU B 13 -2.721 -0.534 -16.012 1.00 25.00 C ATOM 505 O GLU B 13 -3.348 0.376 -16.520 1.00 25.00 O ATOM 506 CB GLU B 13 -1.857 -2.433 -17.363 1.00 25.00 C ATOM 507 CG GLU B 13 -0.971 -2.816 -18.526 1.00 25.00 C ATOM 508 CD GLU B 13 -1.192 -4.237 -18.969 1.00 25.00 C ATOM 509 OE1 GLU B 13 -1.872 -5.034 -18.365 1.00 25.00 O ATOM 510 OE2 GLU B 13 -0.595 -4.533 -20.061 1.00 25.00 O ATOM 0 H GLU B 13 -0.045 -2.253 -15.720 1.00 25.00 H new ATOM 0 HA GLU B 13 -1.167 -0.391 -17.461 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.811 -3.222 -16.612 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.889 -2.383 -17.710 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.162 -2.143 -19.362 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.073 -2.684 -18.243 1.00 25.00 H new ATOM 518 N ALA B 14 -3.053 -1.060 -14.844 1.00 25.00 N ATOM 519 CA ALA B 14 -4.216 -0.557 -14.117 1.00 25.00 C ATOM 520 C ALA B 14 -4.001 0.897 -13.730 1.00 25.00 C ATOM 521 O ALA B 14 -4.894 1.713 -13.928 1.00 25.00 O ATOM 522 CB ALA B 14 -4.467 -1.411 -12.889 1.00 25.00 C ATOM 0 H ALA B 14 -2.549 -1.818 -14.384 1.00 25.00 H new ATOM 0 HA ALA B 14 -5.094 -0.613 -14.761 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -5.336 -1.030 -12.352 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -4.652 -2.441 -13.194 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -3.594 -1.377 -12.237 1.00 25.00 H new ATOM 528 N LEU B 15 -2.814 1.218 -13.234 1.00 25.00 N ATOM 529 CA LEU B 15 -2.467 2.589 -12.838 1.00 25.00 C ATOM 530 C LEU B 15 -2.518 3.511 -14.062 1.00 25.00 C ATOM 531 O LEU B 15 -2.992 4.646 -13.979 1.00 25.00 O ATOM 532 CB LEU B 15 -1.074 2.591 -12.206 1.00 25.00 C ATOM 533 CG LEU B 15 -0.934 3.374 -10.889 1.00 25.00 C ATOM 534 CD1 LEU B 15 0.434 3.128 -10.301 1.00 25.00 C ATOM 535 CD2 LEU B 15 -1.173 4.869 -11.045 1.00 25.00 C ATOM 0 H LEU B 15 -2.062 0.543 -13.093 1.00 25.00 H new ATOM 0 HA LEU B 15 -3.184 2.959 -12.105 1.00 25.00 H new ATOM 0 HB2 LEU B 15 -0.777 1.558 -12.025 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.369 3.004 -12.928 1.00 25.00 H new ATOM 0 HG LEU B 15 -1.711 3.008 -10.218 1.00 25.00 H new ATOM 0 HD11 LEU B 15 0.534 3.682 -9.368 1.00 25.00 H new ATOM 0 HD12 LEU B 15 0.560 2.063 -10.106 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.197 3.461 -11.004 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.058 5.359 -10.078 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -0.450 5.282 -11.749 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.182 5.039 -11.420 1.00 25.00 H new ATOM 547 N TYR B 16 -2.086 3.009 -15.201 1.00 25.00 N ATOM 548 CA TYR B 16 -2.156 3.780 -16.434 1.00 25.00 C ATOM 549 C TYR B 16 -3.606 4.034 -16.857 1.00 25.00 C ATOM 550 O TYR B 16 -3.944 5.141 -17.261 1.00 25.00 O ATOM 551 CB TYR B 16 -1.429 3.051 -17.566 1.00 25.00 C ATOM 552 CG TYR B 16 -1.693 3.682 -18.916 1.00 25.00 C ATOM 553 CD1 TYR B 16 -1.004 4.845 -19.320 1.00 25.00 C ATOM 554 CD2 TYR B 16 -2.663 3.140 -19.791 1.00 25.00 C ATOM 555 CE1 TYR B 16 -1.285 5.455 -20.572 1.00 25.00 C ATOM 556 CE2 TYR B 16 -2.947 3.746 -21.033 1.00 25.00 C ATOM 557 CZ TYR B 16 -2.251 4.897 -21.414 1.00 25.00 C ATOM 558 OH TYR B 16 -2.539 5.471 -22.628 1.00 25.00 O ATOM 0 H TYR B 16 -1.684 2.077 -15.303 1.00 25.00 H new ATOM 0 HA TYR B 16 -1.673 4.738 -16.241 1.00 25.00 H new ATOM 0 HB2 TYR B 16 -0.357 3.055 -17.369 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -1.746 2.008 -17.586 1.00 25.00 H new ATOM 0 HD1 TYR B 16 -0.256 5.276 -18.671 1.00 25.00 H new ATOM 0 HD2 TYR B 16 -3.196 2.246 -19.503 1.00 25.00 H new ATOM 0 HE1 TYR B 16 -0.754 6.346 -20.872 1.00 25.00 H new ATOM 0 HE2 TYR B 16 -3.697 3.324 -21.685 1.00 25.00 H new ATOM 0 HH TYR B 16 -3.234 4.949 -23.080 1.00 25.00 H new ATOM 568 N LEU B 17 -4.451 3.019 -16.791 1.00 25.00 N ATOM 569 CA LEU B 17 -5.831 3.169 -17.246 1.00 25.00 C ATOM 570 C LEU B 17 -6.584 4.142 -16.373 1.00 25.00 C ATOM 571 O LEU B 17 -7.365 4.949 -16.867 1.00 25.00 O ATOM 572 CB LEU B 17 -6.522 1.811 -17.248 1.00 25.00 C ATOM 573 CG LEU B 17 -6.036 0.866 -18.359 1.00 25.00 C ATOM 574 CD1 LEU B 17 -6.426 -0.562 -18.029 1.00 25.00 C ATOM 575 CD2 LEU B 17 -6.576 1.258 -19.731 1.00 25.00 C ATOM 0 H LEU B 17 -4.215 2.093 -16.433 1.00 25.00 H new ATOM 0 HA LEU B 17 -5.822 3.567 -18.261 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -6.363 1.332 -16.282 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -7.596 1.961 -17.356 1.00 25.00 H new ATOM 0 HG LEU B 17 -4.950 0.948 -18.407 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -6.079 -1.226 -18.820 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -5.970 -0.855 -17.083 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -7.510 -0.633 -17.946 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -6.204 0.560 -20.481 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -7.665 1.228 -19.715 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -6.245 2.267 -19.978 1.00 25.00 H new ATOM 587 N VAL B 18 -6.360 4.074 -15.070 1.00 25.00 N ATOM 588 CA VAL B 18 -7.068 4.975 -14.164 1.00 25.00 C ATOM 589 C VAL B 18 -6.481 6.394 -14.170 1.00 25.00 C ATOM 590 O VAL B 18 -7.229 7.371 -14.091 1.00 25.00 O ATOM 591 CB VAL B 18 -7.155 4.385 -12.705 1.00 25.00 C ATOM 592 CG1 VAL B 18 -5.771 4.184 -12.089 1.00 25.00 C ATOM 593 CG2 VAL B 18 -7.996 5.265 -11.806 1.00 25.00 C ATOM 0 H VAL B 18 -5.713 3.425 -14.622 1.00 25.00 H new ATOM 0 HA VAL B 18 -8.087 5.059 -14.542 1.00 25.00 H new ATOM 0 HB VAL B 18 -7.634 3.410 -12.790 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.876 3.776 -11.084 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -5.196 3.491 -12.704 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -5.252 5.141 -12.040 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -8.037 4.831 -10.807 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -7.553 6.259 -11.752 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -9.005 5.339 -12.211 1.00 25.00 H new ATOM 603 N CYS B 19 -5.167 6.526 -14.249 1.00 25.00 N ATOM 604 CA CYS B 19 -4.540 7.840 -14.090 1.00 25.00 C ATOM 605 C CYS B 19 -3.475 8.230 -15.109 1.00 25.00 C ATOM 606 O CYS B 19 -3.278 9.402 -15.391 1.00 25.00 O ATOM 607 CB CYS B 19 -3.929 7.932 -12.708 1.00 25.00 C ATOM 608 SG CYS B 19 -4.116 9.599 -11.997 1.00 25.00 S ATOM 0 H CYS B 19 -4.518 5.758 -14.419 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.356 8.543 -14.255 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -4.402 7.202 -12.052 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -2.871 7.675 -12.760 1.00 25.00 H new ATOM 613 N GLY B 20 -2.828 7.262 -15.730 1.00 25.00 N ATOM 614 CA GLY B 20 -1.856 7.600 -16.759 1.00 25.00 C ATOM 615 C GLY B 20 -2.530 8.269 -17.936 1.00 25.00 C ATOM 616 O GLY B 20 -2.000 9.207 -18.516 1.00 25.00 O ATOM 0 H GLY B 20 -2.949 6.265 -15.550 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -1.096 8.263 -16.344 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -1.344 6.697 -17.092 1.00 25.00 H new ATOM 620 N GLU B 21 -3.761 7.863 -18.206 1.00 25.00 N ATOM 621 CA GLU B 21 -4.572 8.493 -19.254 1.00 25.00 C ATOM 622 C GLU B 21 -5.081 9.897 -18.873 1.00 25.00 C ATOM 623 O GLU B 21 -5.702 10.570 -19.688 1.00 25.00 O ATOM 624 CB GLU B 21 -5.776 7.613 -19.585 1.00 25.00 C ATOM 625 CG GLU B 21 -5.424 6.331 -20.333 1.00 25.00 C ATOM 626 CD GLU B 21 -6.637 5.655 -20.901 1.00 25.00 C ATOM 627 OE1 GLU B 21 -7.201 4.739 -20.378 1.00 25.00 O ATOM 628 OE2 GLU B 21 -7.037 6.184 -22.009 1.00 25.00 O ATOM 0 H GLU B 21 -4.227 7.099 -17.717 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.916 8.603 -20.118 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.287 7.352 -18.658 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.480 8.190 -20.185 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.728 6.562 -21.139 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.912 5.647 -19.657 1.00 25.00 H new ATOM 636 N ARG B 22 -4.798 10.343 -17.658 1.00 25.00 N ATOM 637 CA ARG B 22 -5.137 11.706 -17.228 1.00 25.00 C ATOM 638 C ARG B 22 -3.870 12.556 -17.284 1.00 25.00 C ATOM 639 O ARG B 22 -3.888 13.728 -16.939 1.00 25.00 O ATOM 640 CB ARG B 22 -5.686 11.727 -15.782 1.00 25.00 C ATOM 641 CG ARG B 22 -7.191 11.557 -15.657 1.00 25.00 C ATOM 642 CD ARG B 22 -7.632 10.116 -15.824 1.00 25.00 C ATOM 643 NE ARG B 22 -8.194 9.860 -17.155 1.00 25.00 N ATOM 644 CZ ARG B 22 -8.609 8.674 -17.586 1.00 25.00 C ATOM 645 NH1 ARG B 22 -8.523 7.600 -16.842 1.00 25.00 N ATOM 646 NH2 ARG B 22 -9.120 8.577 -18.783 1.00 25.00 N ATOM 0 H ARG B 22 -4.332 9.783 -16.944 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.909 12.097 -17.890 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.199 10.934 -15.214 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.404 12.672 -15.317 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.514 11.921 -14.682 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.686 12.174 -16.407 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -6.781 9.456 -15.657 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -8.376 9.875 -15.065 1.00 25.00 H new ATOM 0 HE ARG B 22 -8.272 10.650 -17.796 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -8.129 7.660 -15.903 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -8.850 6.703 -17.201 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -9.196 9.405 -19.374 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.443 7.673 -19.128 1.00 25.00 H new ATOM 660 N GLY B 23 -2.773 11.942 -17.703 1.00 25.00 N ATOM 661 CA GLY B 23 -1.486 12.624 -17.760 1.00 25.00 C ATOM 662 C GLY B 23 -0.706 12.548 -16.463 1.00 25.00 C ATOM 663 O GLY B 23 0.382 13.095 -16.357 1.00 25.00 O ATOM 0 H GLY B 23 -2.748 10.970 -18.010 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -0.888 12.189 -18.561 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.649 13.671 -18.016 1.00 25.00 H new ATOM 667 N GLY B 24 -1.262 11.854 -15.477 1.00 25.00 N ATOM 668 CA GLY B 24 -0.617 11.700 -14.181 1.00 25.00 C ATOM 669 C GLY B 24 0.139 10.395 -14.136 1.00 25.00 C ATOM 670 O GLY B 24 -0.343 9.398 -13.614 1.00 25.00 O ATOM 0 H GLY B 24 -2.165 11.386 -15.553 1.00 25.00 H new ATOM 0 HA2 GLY B 24 0.065 12.532 -14.003 1.00 25.00 H new ATOM 0 HA3 GLY B 24 -1.364 11.725 -13.388 1.00 25.00 H new ATOM 674 N PHE B 25 1.327 10.379 -14.721 1.00 25.00 N ATOM 675 CA PHE B 25 2.126 9.166 -14.739 1.00 25.00 C ATOM 676 C PHE B 25 3.616 9.439 -14.638 1.00 25.00 C ATOM 677 O PHE B 25 4.093 10.485 -15.057 1.00 25.00 O ATOM 678 CB PHE B 25 1.839 8.377 -16.009 1.00 25.00 C ATOM 679 CG PHE B 25 1.740 6.897 -15.783 1.00 25.00 C ATOM 680 CD1 PHE B 25 0.817 6.395 -14.838 1.00 25.00 C ATOM 681 CD2 PHE B 25 2.540 6.000 -16.491 1.00 25.00 C ATOM 682 CE1 PHE B 25 0.712 5.020 -14.597 1.00 25.00 C ATOM 683 CE2 PHE B 25 2.440 4.603 -16.259 1.00 25.00 C ATOM 684 CZ PHE B 25 1.528 4.122 -15.302 1.00 25.00 C ATOM 0 H PHE B 25 1.754 11.182 -15.184 1.00 25.00 H new ATOM 0 HA PHE B 25 1.843 8.588 -13.859 1.00 25.00 H new ATOM 0 HB2 PHE B 25 0.906 8.733 -16.446 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.627 8.574 -16.736 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.184 7.081 -14.295 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.242 6.372 -17.223 1.00 25.00 H new ATOM 0 HE1 PHE B 25 0.004 4.651 -13.870 1.00 25.00 H new ATOM 0 HE2 PHE B 25 3.060 3.914 -16.814 1.00 25.00 H new ATOM 0 HZ PHE B 25 1.456 3.062 -15.110 1.00 25.00 H new ATOM 694 N TYR B 26 4.331 8.467 -14.088 1.00 25.00 N ATOM 695 CA TYR B 26 5.779 8.551 -13.890 1.00 25.00 C ATOM 696 C TYR B 26 6.524 7.608 -14.834 1.00 25.00 C ATOM 697 O TYR B 26 7.748 7.520 -14.802 1.00 25.00 O ATOM 698 CB TYR B 26 6.111 8.171 -12.439 1.00 25.00 C ATOM 699 CG TYR B 26 5.643 6.774 -12.081 1.00 25.00 C ATOM 700 CD1 TYR B 26 4.337 6.548 -11.578 1.00 25.00 C ATOM 701 CD2 TYR B 26 6.487 5.666 -12.262 1.00 25.00 C ATOM 702 CE1 TYR B 26 3.890 5.236 -11.283 1.00 25.00 C ATOM 703 CE2 TYR B 26 6.047 4.363 -11.954 1.00 25.00 C ATOM 704 CZ TYR B 26 4.751 4.152 -11.466 1.00 25.00 C ATOM 705 OH TYR B 26 4.330 2.885 -11.184 1.00 25.00 O ATOM 0 H TYR B 26 3.923 7.590 -13.763 1.00 25.00 H new ATOM 0 HA TYR B 26 6.095 9.572 -14.102 1.00 25.00 H new ATOM 0 HB2 TYR B 26 7.188 8.240 -12.287 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.647 8.890 -11.764 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.675 7.386 -11.418 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.487 5.815 -12.642 1.00 25.00 H new ATOM 0 HE1 TYR B 26 2.886 5.075 -10.918 1.00 25.00 H new ATOM 0 HE2 TYR B 26 6.712 3.524 -12.095 1.00 25.00 H new ATOM 0 HH TYR B 26 5.054 2.251 -11.369 1.00 25.00 H new HETATM 715 N NVA B 27 5.710 6.880 -15.626 1.00 25.00 N HETATM 716 CA NVA B 27 6.086 5.885 -16.683 1.00 25.00 C HETATM 717 CB NVA B 27 6.046 6.504 -18.120 1.00 25.00 C HETATM 718 CG NVA B 27 5.400 5.507 -19.149 1.00 25.00 C HETATM 719 CD NVA B 27 5.980 5.606 -20.603 1.00 25.00 C HETATM 720 C NVA B 27 7.390 5.057 -16.391 1.00 25.00 C HETATM 721 O NVA B 27 8.494 5.455 -16.737 1.00 25.00 O HETATM 0 HG3 NVA B 27 5.538 4.489 -18.785 1.00 25.00 H new HETATM 0 HG2 NVA B 27 4.326 5.689 -19.187 1.00 25.00 H new HETATM 0 HD3 NVA B 27 5.818 6.611 -20.992 1.00 25.00 H new HETATM 0 HD1 NVA B 27 5.477 4.883 -21.245 1.00 25.00 H new HETATM 0 HB3 NVA B 27 5.477 7.433 -18.103 1.00 25.00 H new HETATM 0 HB2 NVA B 27 7.057 6.756 -18.439 1.00 25.00 H new HETATM 0 HA NVA B 27 5.301 5.130 -16.644 1.00 25.00 H new ATOM 730 N PRO B 28 7.275 3.816 -15.761 1.00 25.00 N ATOM 731 CA PRO B 28 8.448 2.970 -15.465 1.00 25.00 C ATOM 732 C PRO B 28 8.968 2.198 -16.689 1.00 25.00 C ATOM 733 O PRO B 28 8.852 0.958 -16.774 1.00 25.00 O ATOM 734 CB PRO B 28 7.899 2.026 -14.383 1.00 25.00 C ATOM 735 CG PRO B 28 6.467 1.830 -14.778 1.00 25.00 C ATOM 736 CD PRO B 28 6.020 3.170 -15.305 1.00 25.00 C ATOM 0 HA PRO B 28 9.317 3.550 -15.153 1.00 25.00 H new ATOM 0 HB2 PRO B 28 8.442 1.081 -14.363 1.00 25.00 H new ATOM 0 HB3 PRO B 28 7.984 2.464 -13.388 1.00 25.00 H new ATOM 0 HG2 PRO B 28 6.370 1.055 -15.538 1.00 25.00 H new ATOM 0 HG3 PRO B 28 5.862 1.519 -13.926 1.00 25.00 H new ATOM 0 HD2 PRO B 28 5.308 3.059 -16.123 1.00 25.00 H new ATOM 0 HD3 PRO B 28 5.527 3.758 -14.531 1.00 25.00 H new HETATM 744 N HIX B 29 9.534 2.946 -17.661 1.00 25.00 N HETATM 745 CA HIX B 29 10.063 2.415 -18.941 1.00 25.00 C HETATM 746 C HIX B 29 11.177 1.408 -18.713 1.00 25.00 C HETATM 747 O HIX B 29 12.190 1.665 -18.090 1.00 25.00 O HETATM 748 CB HIX B 29 10.498 3.541 -19.927 1.00 25.00 C HETATM 749 CG HIX B 29 9.245 4.110 -20.550 1.00 25.00 C HETATM 750 CD2 HIX B 29 8.180 4.598 -19.854 1.00 25.00 C HETATM 751 ND1 HIX B 29 8.920 4.234 -21.868 1.00 25.00 N HETATM 752 NE1 HIX B 29 7.656 4.803 -22.114 1.00 25.00 N HETATM 753 NE2 HIX B 29 7.293 4.998 -20.776 1.00 25.00 N ATOM 760 N THR B 30 10.930 0.200 -19.230 1.00 25.00 N ATOM 761 CA THR B 30 11.774 -0.989 -19.092 1.00 25.00 C ATOM 762 C THR B 30 11.691 -1.876 -20.329 1.00 25.00 C ATOM 763 O THR B 30 10.670 -2.324 -20.799 1.00 25.00 O ATOM 764 CB THR B 30 11.365 -1.789 -17.826 1.00 25.00 C ATOM 765 OG1 THR B 30 9.972 -1.646 -17.602 1.00 25.00 O ATOM 766 CG2 THR B 30 12.076 -1.285 -16.554 1.00 25.00 C ATOM 767 OXT THR B 30 12.841 -2.113 -20.856 1.00 25.00 O ATOM 0 H THR B 30 10.093 0.017 -19.784 1.00 25.00 H new ATOM 0 HA THR B 30 12.808 -0.659 -18.988 1.00 25.00 H new ATOM 0 HB THR B 30 11.648 -2.825 -18.010 1.00 25.00 H new ATOM 0 HG1 THR B 30 9.790 -0.759 -17.228 1.00 25.00 H new ATOM 0 HG21 THR B 30 11.754 -1.878 -15.698 1.00 25.00 H new ATOM 0 HG22 THR B 30 13.155 -1.381 -16.678 1.00 25.00 H new ATOM 0 HG23 THR B 30 11.822 -0.238 -16.386 1.00 25.00 H new TER 776 THR B 30