USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=11 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= 0.517 K(o=1.1,f=-0.21) USER MOD Set 1.2: A 19 TYR OH : rot -177:sc= 0.623 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0151 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00314 X(o=-0.0031,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 9 SER OG : rot 63:sc= 1.19 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 18 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.02) USER MOD Single : A 21 ASN : amide:sc= -0.0708 K(o=-0.071,f=-1.4) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0327 K(o=-0.033,f=-0.83) USER MOD Single : B 4 GLN : amide:sc= 0.209 X(o=0.21,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.692 K(o=0.69,f=-2.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0281 USER MOD Single : B 10 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.078) 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 -73:sc= 0.654 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.405 2.040 -0.319 1.00 25.00 N ATOM 2 CA GLY A 1 4.285 0.782 -1.099 1.00 25.00 C ATOM 3 C GLY A 1 3.176 0.779 -2.134 1.00 25.00 C ATOM 4 O GLY A 1 2.670 1.795 -2.521 1.00 25.00 O ATOM 0 H1 GLY A 1 5.384 2.388 -0.370 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.762 2.756 -0.713 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.154 1.858 0.674 1.00 25.00 H new ATOM 0 HA2 GLY A 1 5.233 0.591 -1.602 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.119 -0.044 -0.407 1.00 25.00 H new ATOM 9 N ILE A 2 2.809 -0.448 -2.615 1.00 25.00 N ATOM 10 CA ILE A 2 1.757 -0.692 -3.625 1.00 25.00 C ATOM 11 C ILE A 2 1.516 -2.192 -3.838 1.00 25.00 C ATOM 12 O ILE A 2 0.392 -2.660 -3.831 1.00 25.00 O ATOM 13 CB ILE A 2 2.073 0.009 -5.003 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.079 -0.407 -6.101 1.00 25.00 C ATOM 15 CG2 ILE A 2 3.563 -0.269 -5.489 1.00 25.00 C ATOM 16 CD1 ILE A 2 -0.317 0.149 -5.895 1.00 25.00 C ATOM 0 H ILE A 2 3.254 -1.309 -2.296 1.00 25.00 H new ATOM 0 HA ILE A 2 0.845 -0.247 -3.227 1.00 25.00 H new ATOM 0 HB ILE A 2 1.965 1.079 -4.828 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.456 -0.072 -7.067 1.00 25.00 H new ATOM 0 HG13 ILE A 2 1.026 -1.495 -6.139 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.735 0.233 -6.441 1.00 25.00 H new ATOM 0 HG22 ILE A 2 4.265 0.111 -4.747 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.711 -1.342 -5.613 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -0.965 -0.184 -6.706 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -0.714 -0.207 -4.944 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -0.277 1.238 -5.887 1.00 25.00 H new ATOM 28 N VAL A 3 2.579 -2.986 -3.982 1.00 25.00 N ATOM 29 CA VAL A 3 2.450 -4.397 -4.282 1.00 25.00 C ATOM 30 C VAL A 3 1.754 -5.124 -3.113 1.00 25.00 C ATOM 31 O VAL A 3 0.887 -5.965 -3.329 1.00 25.00 O ATOM 32 CB VAL A 3 3.841 -5.026 -4.573 1.00 25.00 C ATOM 33 CG1 VAL A 3 3.724 -6.541 -4.791 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.502 -4.347 -5.796 1.00 25.00 C ATOM 0 H VAL A 3 3.543 -2.664 -3.893 1.00 25.00 H new ATOM 0 HA VAL A 3 1.837 -4.510 -5.176 1.00 25.00 H new ATOM 0 HB VAL A 3 4.476 -4.859 -3.703 1.00 25.00 H new ATOM 0 HG11 VAL A 3 4.711 -6.957 -4.993 1.00 25.00 H new ATOM 0 HG12 VAL A 3 3.310 -7.006 -3.896 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.068 -6.737 -5.639 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.475 -4.802 -5.983 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.866 -4.477 -6.672 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.631 -3.283 -5.596 1.00 25.00 H new ATOM 44 N GLU A 4 2.087 -4.745 -1.893 1.00 25.00 N ATOM 45 CA GLU A 4 1.516 -5.415 -0.728 1.00 25.00 C ATOM 46 C GLU A 4 0.059 -4.977 -0.441 1.00 25.00 C ATOM 47 O GLU A 4 -0.542 -5.471 0.494 1.00 25.00 O ATOM 48 CB GLU A 4 2.442 -5.243 0.480 1.00 25.00 C ATOM 49 CG GLU A 4 3.791 -5.983 0.311 1.00 25.00 C ATOM 50 CD GLU A 4 4.712 -5.794 1.488 1.00 25.00 C ATOM 51 OE1 GLU A 4 4.436 -5.148 2.449 1.00 25.00 O ATOM 52 OE2 GLU A 4 5.846 -6.414 1.357 1.00 25.00 O ATOM 0 H GLU A 4 2.739 -3.990 -1.679 1.00 25.00 H new ATOM 0 HA GLU A 4 1.448 -6.480 -0.948 1.00 25.00 H new ATOM 0 HB2 GLU A 4 2.632 -4.181 0.638 1.00 25.00 H new ATOM 0 HB3 GLU A 4 1.939 -5.613 1.373 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.601 -7.047 0.171 1.00 25.00 H new ATOM 0 HG3 GLU A 4 4.285 -5.626 -0.592 1.00 25.00 H new ATOM 60 N GLN A 5 -0.508 -4.119 -1.276 1.00 25.00 N ATOM 61 CA GLN A 5 -1.908 -3.731 -1.154 1.00 25.00 C ATOM 62 C GLN A 5 -2.735 -4.177 -2.366 1.00 25.00 C ATOM 63 O GLN A 5 -3.879 -4.612 -2.236 1.00 25.00 O ATOM 64 CB GLN A 5 -2.003 -2.229 -1.021 1.00 25.00 C ATOM 65 CG GLN A 5 -2.270 -1.771 0.396 1.00 25.00 C ATOM 66 CD GLN A 5 -1.213 -2.219 1.381 1.00 25.00 C ATOM 67 OE1 GLN A 5 -0.045 -1.977 1.207 1.00 25.00 O ATOM 68 NE2 GLN A 5 -1.637 -2.894 2.407 1.00 25.00 N ATOM 0 H GLN A 5 -0.017 -3.674 -2.052 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.311 -4.223 -0.269 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.074 -1.780 -1.372 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.799 -1.863 -1.670 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.334 -0.683 0.412 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -3.240 -2.152 0.717 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.634 -3.079 2.519 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.973 -3.239 3.100 1.00 25.00 H new ATOM 77 N CYS A 6 -2.159 -4.107 -3.540 1.00 25.00 N ATOM 78 CA CYS A 6 -2.901 -4.468 -4.761 1.00 25.00 C ATOM 79 C CYS A 6 -2.629 -5.885 -5.251 1.00 25.00 C ATOM 80 O CYS A 6 -3.444 -6.429 -5.965 1.00 25.00 O ATOM 81 CB CYS A 6 -2.609 -3.457 -5.870 1.00 25.00 C ATOM 82 SG CYS A 6 -3.448 -1.859 -5.617 1.00 25.00 S ATOM 0 H CYS A 6 -1.195 -3.811 -3.694 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.958 -4.439 -4.497 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.533 -3.291 -5.928 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.919 -3.876 -6.827 1.00 25.00 H new ATOM 87 N CYS A 7 -1.506 -6.480 -4.882 1.00 25.00 N ATOM 88 CA CYS A 7 -1.208 -7.833 -5.320 1.00 25.00 C ATOM 89 C CYS A 7 -1.567 -8.816 -4.199 1.00 25.00 C ATOM 90 O CYS A 7 -2.324 -9.742 -4.389 1.00 25.00 O ATOM 91 CB CYS A 7 0.271 -7.969 -5.706 1.00 25.00 C ATOM 92 SG CYS A 7 0.685 -9.482 -6.632 1.00 25.00 S ATOM 0 H CYS A 7 -0.795 -6.054 -4.288 1.00 25.00 H new ATOM 0 HA CYS A 7 -1.802 -8.061 -6.205 1.00 25.00 H new ATOM 0 HB2 CYS A 7 0.556 -7.104 -6.305 1.00 25.00 H new ATOM 0 HB3 CYS A 7 0.873 -7.940 -4.798 1.00 25.00 H new ATOM 97 N THR A 8 -1.010 -8.565 -3.035 1.00 25.00 N ATOM 98 CA THR A 8 -1.264 -9.416 -1.880 1.00 25.00 C ATOM 99 C THR A 8 -2.732 -9.386 -1.462 1.00 25.00 C ATOM 100 O THR A 8 -3.312 -10.416 -1.130 1.00 25.00 O ATOM 101 CB THR A 8 -0.366 -8.993 -0.692 1.00 25.00 C ATOM 102 OG1 THR A 8 0.981 -8.864 -1.161 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.414 -9.989 0.425 1.00 25.00 C ATOM 0 H THR A 8 -0.380 -7.783 -2.857 1.00 25.00 H new ATOM 0 HA THR A 8 -1.022 -10.439 -2.170 1.00 25.00 H new ATOM 0 HB THR A 8 -0.733 -8.044 -0.302 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.561 -8.595 -0.419 1.00 25.00 H new ATOM 0 HG21 THR A 8 0.230 -9.655 1.239 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.438 -10.081 0.787 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.069 -10.958 0.064 1.00 25.00 H new ATOM 111 N SER A 9 -3.384 -8.244 -1.593 1.00 25.00 N ATOM 112 CA SER A 9 -4.802 -8.125 -1.284 1.00 25.00 C ATOM 113 C SER A 9 -5.535 -7.496 -2.468 1.00 25.00 C ATOM 114 O SER A 9 -4.929 -7.274 -3.518 1.00 25.00 O ATOM 115 CB SER A 9 -5.002 -7.273 -0.029 1.00 25.00 C ATOM 116 OG SER A 9 -4.142 -6.166 -0.055 1.00 25.00 O ATOM 0 H SER A 9 -2.951 -7.378 -1.914 1.00 25.00 H new ATOM 0 HA SER A 9 -5.209 -9.119 -1.097 1.00 25.00 H new ATOM 0 HB2 SER A 9 -6.037 -6.937 0.031 1.00 25.00 H new ATOM 0 HB3 SER A 9 -4.809 -7.872 0.861 1.00 25.00 H new ATOM 0 HG SER A 9 -4.368 -5.594 -0.818 1.00 25.00 H new ATOM 122 N ILE A 10 -6.809 -7.202 -2.308 1.00 25.00 N ATOM 123 CA ILE A 10 -7.619 -6.594 -3.347 1.00 25.00 C ATOM 124 C ILE A 10 -7.562 -5.077 -3.184 1.00 25.00 C ATOM 125 O ILE A 10 -7.671 -4.557 -2.074 1.00 25.00 O ATOM 126 CB ILE A 10 -9.143 -7.047 -3.206 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.290 -8.567 -3.290 1.00 25.00 C ATOM 128 CG2 ILE A 10 -10.038 -6.349 -4.256 1.00 25.00 C ATOM 129 CD1 ILE A 10 -9.105 -9.165 -4.697 1.00 25.00 C ATOM 0 H ILE A 10 -7.319 -7.380 -1.443 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.236 -6.904 -4.319 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.480 -6.736 -2.217 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.563 -9.024 -2.619 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.279 -8.842 -2.923 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -11.069 -6.680 -4.132 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -9.984 -5.269 -4.120 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.692 -6.606 -5.257 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.228 -10.247 -4.652 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.849 -8.743 -5.372 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -8.106 -8.929 -5.064 1.00 25.00 H new ATOM 141 N CYS A 11 -7.431 -4.354 -4.292 1.00 25.00 N ATOM 142 CA CYS A 11 -7.536 -2.899 -4.253 1.00 25.00 C ATOM 143 C CYS A 11 -8.400 -2.476 -5.445 1.00 25.00 C ATOM 144 O CYS A 11 -8.692 -3.296 -6.312 1.00 25.00 O ATOM 145 CB CYS A 11 -6.144 -2.257 -4.293 1.00 25.00 C ATOM 146 SG CYS A 11 -5.403 -2.268 -5.971 1.00 25.00 S ATOM 0 H CYS A 11 -7.254 -4.745 -5.217 1.00 25.00 H new ATOM 0 HA CYS A 11 -8.000 -2.562 -3.326 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -6.213 -1.229 -3.938 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.484 -2.788 -3.606 1.00 25.00 H new ATOM 151 N SER A 12 -8.883 -1.231 -5.442 1.00 25.00 N ATOM 152 CA SER A 12 -9.776 -0.740 -6.500 1.00 25.00 C ATOM 153 C SER A 12 -9.189 0.542 -7.065 1.00 25.00 C ATOM 154 O SER A 12 -8.222 1.081 -6.520 1.00 25.00 O ATOM 155 CB SER A 12 -11.154 -0.476 -5.906 1.00 25.00 C ATOM 156 OG SER A 12 -12.153 -0.311 -6.915 1.00 25.00 O ATOM 0 H SER A 12 -8.672 -0.543 -4.719 1.00 25.00 H new ATOM 0 HA SER A 12 -9.873 -1.477 -7.297 1.00 25.00 H new ATOM 0 HB2 SER A 12 -11.432 -1.304 -5.254 1.00 25.00 H new ATOM 0 HB3 SER A 12 -11.115 0.419 -5.285 1.00 25.00 H new ATOM 0 HG SER A 12 -13.021 -0.146 -6.492 1.00 25.00 H new ATOM 162 N LEU A 13 -9.807 1.064 -8.135 1.00 25.00 N ATOM 163 CA LEU A 13 -9.377 2.295 -8.790 1.00 25.00 C ATOM 164 C LEU A 13 -9.229 3.471 -7.818 1.00 25.00 C ATOM 165 O LEU A 13 -8.315 4.305 -7.951 1.00 25.00 O ATOM 166 CB LEU A 13 -10.366 2.642 -9.912 1.00 25.00 C ATOM 167 CG LEU A 13 -11.850 2.954 -9.560 1.00 25.00 C ATOM 168 CD1 LEU A 13 -12.354 4.143 -10.400 1.00 25.00 C ATOM 169 CD2 LEU A 13 -12.727 1.737 -9.824 1.00 25.00 C ATOM 0 H LEU A 13 -10.625 0.636 -8.569 1.00 25.00 H new ATOM 0 HA LEU A 13 -8.385 2.119 -9.205 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -9.968 3.507 -10.442 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -10.366 1.810 -10.616 1.00 25.00 H new ATOM 0 HG LEU A 13 -11.906 3.209 -8.502 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -13.393 4.353 -10.146 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -11.744 5.022 -10.190 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -12.282 3.897 -11.459 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -13.761 1.972 -9.573 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -12.663 1.464 -10.877 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -12.386 0.903 -9.211 1.00 25.00 H new ATOM 181 N TYR A 14 -10.072 3.485 -6.798 1.00 25.00 N ATOM 182 CA TYR A 14 -10.054 4.523 -5.771 1.00 25.00 C ATOM 183 C TYR A 14 -8.737 4.524 -5.020 1.00 25.00 C ATOM 184 O TYR A 14 -8.179 5.584 -4.707 1.00 25.00 O ATOM 185 CB TYR A 14 -11.203 4.258 -4.775 1.00 25.00 C ATOM 186 CG TYR A 14 -11.321 5.286 -3.666 1.00 25.00 C ATOM 187 CD1 TYR A 14 -11.940 6.539 -3.896 1.00 25.00 C ATOM 188 CD2 TYR A 14 -10.844 5.009 -2.362 1.00 25.00 C ATOM 189 CE1 TYR A 14 -12.064 7.497 -2.851 1.00 25.00 C ATOM 190 CE2 TYR A 14 -10.973 5.966 -1.316 1.00 25.00 C ATOM 191 CZ TYR A 14 -11.582 7.186 -1.569 1.00 25.00 C ATOM 192 OH TYR A 14 -11.715 8.057 -0.535 1.00 25.00 O ATOM 0 H TYR A 14 -10.791 2.776 -6.655 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.177 5.493 -6.252 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -12.144 4.225 -5.325 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.060 3.274 -4.328 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.323 6.771 -4.879 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.375 4.058 -2.158 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -12.525 8.455 -3.042 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -10.598 5.743 -0.328 1.00 25.00 H new ATOM 0 HH TYR A 14 -11.322 7.667 0.274 1.00 25.00 H new ATOM 202 N GLN A 15 -8.243 3.331 -4.743 1.00 25.00 N ATOM 203 CA GLN A 15 -6.969 3.192 -4.049 1.00 25.00 C ATOM 204 C GLN A 15 -5.855 3.536 -5.016 1.00 25.00 C ATOM 205 O GLN A 15 -4.984 4.299 -4.664 1.00 25.00 O ATOM 206 CB GLN A 15 -6.764 1.756 -3.519 1.00 25.00 C ATOM 207 CG GLN A 15 -6.400 1.702 -2.034 1.00 25.00 C ATOM 208 CD GLN A 15 -5.976 0.310 -1.604 1.00 25.00 C ATOM 209 OE1 GLN A 15 -4.875 -0.124 -1.879 1.00 25.00 O ATOM 210 NE2 GLN A 15 -6.869 -0.382 -0.957 1.00 25.00 N ATOM 0 H GLN A 15 -8.697 2.450 -4.984 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.962 3.866 -3.193 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -7.676 1.183 -3.683 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.976 1.273 -4.096 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -5.592 2.406 -1.833 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.256 2.021 -1.439 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.780 0.028 -0.750 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.658 -1.334 -0.657 1.00 25.00 H new ATOM 219 N LEU A 16 -5.918 3.006 -6.242 1.00 25.00 N ATOM 220 CA LEU A 16 -4.876 3.239 -7.238 1.00 25.00 C ATOM 221 C LEU A 16 -4.587 4.721 -7.482 1.00 25.00 C ATOM 222 O LEU A 16 -3.431 5.101 -7.602 1.00 25.00 O ATOM 223 CB LEU A 16 -5.269 2.638 -8.586 1.00 25.00 C ATOM 224 CG LEU A 16 -4.801 1.216 -8.971 1.00 25.00 C ATOM 225 CD1 LEU A 16 -3.373 0.874 -8.559 1.00 25.00 C ATOM 226 CD2 LEU A 16 -5.722 0.191 -8.422 1.00 25.00 C ATOM 0 H LEU A 16 -6.682 2.413 -6.565 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.984 2.765 -6.828 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -6.358 2.645 -8.637 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -4.909 3.317 -9.359 1.00 25.00 H new ATOM 0 HG LEU A 16 -4.817 1.210 -10.061 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -3.138 -0.143 -8.872 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -2.681 1.569 -9.034 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -3.279 0.951 -7.476 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -5.372 -0.802 -8.706 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -5.748 0.270 -7.335 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -6.724 0.351 -8.821 1.00 25.00 H new ATOM 238 N GLU A 17 -5.613 5.546 -7.505 1.00 25.00 N ATOM 239 CA GLU A 17 -5.448 6.973 -7.709 1.00 25.00 C ATOM 240 C GLU A 17 -4.549 7.581 -6.634 1.00 25.00 C ATOM 241 O GLU A 17 -3.750 8.435 -6.932 1.00 25.00 O ATOM 242 CB GLU A 17 -6.810 7.681 -7.705 1.00 25.00 C ATOM 243 CG GLU A 17 -7.499 7.571 -9.035 1.00 25.00 C ATOM 244 CD GLU A 17 -8.776 8.375 -9.101 1.00 25.00 C ATOM 245 OE1 GLU A 17 -9.862 7.889 -8.894 1.00 25.00 O ATOM 246 OE2 GLU A 17 -8.590 9.636 -9.353 1.00 25.00 O ATOM 0 H GLU A 17 -6.581 5.250 -7.384 1.00 25.00 H new ATOM 0 HA GLU A 17 -4.975 7.116 -8.681 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -7.443 7.247 -6.931 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -6.673 8.732 -7.453 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -6.821 7.909 -9.819 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -7.724 6.524 -9.237 1.00 25.00 H new ATOM 254 N ASN A 18 -4.604 7.101 -5.402 1.00 25.00 N ATOM 255 CA ASN A 18 -3.749 7.655 -4.337 1.00 25.00 C ATOM 256 C ASN A 18 -2.275 7.323 -4.535 1.00 25.00 C ATOM 257 O ASN A 18 -1.413 8.014 -4.024 1.00 25.00 O ATOM 258 CB ASN A 18 -4.203 7.183 -2.959 1.00 25.00 C ATOM 259 CG ASN A 18 -5.558 7.724 -2.581 1.00 25.00 C ATOM 260 OD1 ASN A 18 -5.784 8.907 -2.567 1.00 25.00 O ATOM 261 ND2 ASN A 18 -6.449 6.833 -2.254 1.00 25.00 N ATOM 0 H ASN A 18 -5.217 6.342 -5.107 1.00 25.00 H new ATOM 0 HA ASN A 18 -3.856 8.738 -4.398 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.233 6.094 -2.943 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -3.471 7.492 -2.213 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.384 7.127 -1.971 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.212 5.841 -2.281 1.00 25.00 H new ATOM 268 N TYR A 19 -1.981 6.271 -5.300 1.00 25.00 N ATOM 269 CA TYR A 19 -0.606 5.886 -5.568 1.00 25.00 C ATOM 270 C TYR A 19 -0.115 6.648 -6.787 1.00 25.00 C ATOM 271 O TYR A 19 1.059 6.605 -7.091 1.00 25.00 O ATOM 272 CB TYR A 19 -0.502 4.384 -5.856 1.00 25.00 C ATOM 273 CG TYR A 19 -0.906 3.506 -4.698 1.00 25.00 C ATOM 274 CD1 TYR A 19 -0.016 3.170 -3.658 1.00 25.00 C ATOM 275 CD2 TYR A 19 -2.214 2.964 -4.673 1.00 25.00 C ATOM 276 CE1 TYR A 19 -0.461 2.332 -2.588 1.00 25.00 C ATOM 277 CE2 TYR A 19 -2.635 2.122 -3.644 1.00 25.00 C ATOM 278 CZ TYR A 19 -1.757 1.801 -2.604 1.00 25.00 C ATOM 279 OH TYR A 19 -2.166 0.979 -1.592 1.00 25.00 O ATOM 0 H TYR A 19 -2.680 5.674 -5.742 1.00 25.00 H new ATOM 0 HA TYR A 19 -0.002 6.118 -4.691 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.129 4.145 -6.715 1.00 25.00 H new ATOM 0 HB3 TYR A 19 0.525 4.149 -6.136 1.00 25.00 H new ATOM 0 HD1 TYR A 19 0.997 3.544 -3.669 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -2.902 3.208 -5.469 1.00 25.00 H new ATOM 0 HE1 TYR A 19 0.203 2.108 -1.766 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -3.637 1.719 -3.650 1.00 25.00 H new ATOM 0 HH TYR A 19 -3.074 0.659 -1.777 1.00 25.00 H new ATOM 289 N CYS A 20 -1.030 7.302 -7.485 1.00 25.00 N ATOM 290 CA CYS A 20 -0.652 8.074 -8.665 1.00 25.00 C ATOM 291 C CYS A 20 -0.109 9.418 -8.211 1.00 25.00 C ATOM 292 O CYS A 20 0.872 9.948 -8.752 1.00 25.00 O ATOM 293 CB CYS A 20 -1.873 8.311 -9.546 1.00 25.00 C ATOM 294 SG CYS A 20 -1.422 9.002 -11.162 1.00 25.00 S ATOM 0 H CYS A 20 -2.025 7.317 -7.262 1.00 25.00 H new ATOM 0 HA CYS A 20 0.101 7.526 -9.232 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -2.404 7.370 -9.690 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -2.559 8.990 -9.040 1.00 25.00 H new ATOM 299 N ASN A 21 -0.770 9.966 -7.192 1.00 25.00 N ATOM 300 CA ASN A 21 -0.505 11.291 -6.631 1.00 25.00 C ATOM 301 C ASN A 21 -0.559 12.394 -7.682 1.00 25.00 C ATOM 302 O ASN A 21 0.381 12.956 -8.214 1.00 25.00 O ATOM 303 CB ASN A 21 0.795 11.292 -5.814 1.00 25.00 C ATOM 304 CG ASN A 21 1.003 12.612 -5.137 1.00 25.00 C ATOM 305 OD1 ASN A 21 0.134 13.442 -5.007 1.00 25.00 O ATOM 306 ND2 ASN A 21 2.206 12.846 -4.649 1.00 25.00 N ATOM 307 OXT ASN A 21 -1.778 12.715 -8.009 1.00 25.00 O ATOM 0 H ASN A 21 -1.532 9.482 -6.717 1.00 25.00 H new ATOM 0 HA ASN A 21 -1.313 11.524 -5.938 1.00 25.00 H new ATOM 0 HB2 ASN A 21 0.760 10.498 -5.068 1.00 25.00 H new ATOM 0 HB3 ASN A 21 1.640 11.078 -6.468 1.00 25.00 H new ATOM 0 HD21 ASN A 21 2.398 13.723 -4.165 1.00 25.00 H new ATOM 0 HD22 ASN A 21 2.944 12.150 -4.755 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -13.044 -1.009 -15.228 1.00 25.00 N ATOM 317 CA PHE B 1 -12.063 -1.394 -14.148 1.00 25.00 C ATOM 318 C PHE B 1 -12.629 -2.315 -13.090 1.00 25.00 C ATOM 319 O PHE B 1 -13.541 -2.002 -12.352 1.00 25.00 O ATOM 320 CB PHE B 1 -11.554 -0.121 -13.467 1.00 25.00 C ATOM 321 CG PHE B 1 -10.327 -0.346 -12.595 1.00 25.00 C ATOM 322 CD1 PHE B 1 -10.430 -0.995 -11.356 1.00 25.00 C ATOM 323 CD2 PHE B 1 -9.081 0.122 -13.011 1.00 25.00 C ATOM 324 CE1 PHE B 1 -9.284 -1.237 -10.583 1.00 25.00 C ATOM 325 CE2 PHE B 1 -7.950 -0.088 -12.226 1.00 25.00 C ATOM 326 CZ PHE B 1 -8.048 -0.774 -11.023 1.00 25.00 C ATOM 0 H1 PHE B 1 -12.578 -0.378 -15.911 1.00 25.00 H new ATOM 0 H2 PHE B 1 -13.376 -1.865 -15.717 1.00 25.00 H new ATOM 0 H3 PHE B 1 -13.855 -0.518 -14.801 1.00 25.00 H new ATOM 0 HA PHE B 1 -11.264 -1.946 -14.643 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -11.316 0.619 -14.231 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -12.353 0.298 -12.855 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -11.398 -1.311 -10.994 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -8.992 0.651 -13.948 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -9.361 -1.779 -9.652 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -6.991 0.285 -12.555 1.00 25.00 H new ATOM 0 HZ PHE B 1 -7.164 -0.948 -10.428 1.00 25.00 H new ATOM 337 N VAL B 2 -12.051 -3.506 -13.001 1.00 25.00 N ATOM 338 CA VAL B 2 -12.468 -4.487 -12.010 1.00 25.00 C ATOM 339 C VAL B 2 -11.454 -4.504 -10.873 1.00 25.00 C ATOM 340 O VAL B 2 -10.264 -4.639 -11.107 1.00 25.00 O ATOM 341 CB VAL B 2 -12.554 -5.905 -12.627 1.00 25.00 C ATOM 342 CG1 VAL B 2 -13.017 -6.911 -11.602 1.00 25.00 C ATOM 343 CG2 VAL B 2 -13.483 -5.917 -13.887 1.00 25.00 C ATOM 0 H VAL B 2 -11.290 -3.816 -13.605 1.00 25.00 H new ATOM 0 HA VAL B 2 -13.456 -4.209 -11.643 1.00 25.00 H new ATOM 0 HB VAL B 2 -11.553 -6.191 -12.950 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -13.069 -7.899 -12.060 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -12.313 -6.933 -10.770 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -14.004 -6.629 -11.235 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -13.524 -6.925 -14.299 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -14.486 -5.600 -13.602 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -13.086 -5.234 -14.638 1.00 25.00 H new ATOM 353 N ASN B 3 -11.939 -4.412 -9.655 1.00 25.00 N ATOM 354 CA ASN B 3 -11.087 -4.514 -8.464 1.00 25.00 C ATOM 355 C ASN B 3 -10.701 -5.994 -8.313 1.00 25.00 C ATOM 356 O ASN B 3 -11.527 -6.885 -8.395 1.00 25.00 O ATOM 357 CB ASN B 3 -11.802 -3.976 -7.221 1.00 25.00 C ATOM 358 CG ASN B 3 -13.010 -4.786 -6.821 1.00 25.00 C ATOM 359 OD1 ASN B 3 -12.898 -5.693 -6.043 1.00 25.00 O ATOM 360 ND2 ASN B 3 -14.177 -4.416 -7.302 1.00 25.00 N ATOM 0 H ASN B 3 -12.927 -4.265 -9.450 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.191 -3.904 -8.575 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -11.098 -3.953 -6.389 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -12.110 -2.947 -7.406 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -15.025 -4.905 -7.015 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -14.234 -3.640 -7.962 1.00 25.00 H new ATOM 367 N GLN B 4 -9.399 -6.253 -8.202 1.00 25.00 N ATOM 368 CA GLN B 4 -8.860 -7.619 -8.244 1.00 25.00 C ATOM 369 C GLN B 4 -7.396 -7.591 -7.776 1.00 25.00 C ATOM 370 O GLN B 4 -6.879 -6.540 -7.434 1.00 25.00 O ATOM 371 CB GLN B 4 -8.919 -8.145 -9.692 1.00 25.00 C ATOM 372 CG GLN B 4 -8.028 -7.394 -10.663 1.00 25.00 C ATOM 373 CD GLN B 4 -8.271 -7.810 -12.066 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.802 -8.817 -12.545 1.00 25.00 O ATOM 375 NE2 GLN B 4 -9.004 -6.988 -12.772 1.00 25.00 N ATOM 0 H GLN B 4 -8.689 -5.530 -8.081 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.446 -8.269 -7.595 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.636 -9.198 -9.696 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.949 -8.091 -10.045 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -8.205 -6.323 -10.565 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -6.983 -7.569 -10.408 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -9.386 -6.146 -12.341 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -9.194 -7.189 -13.754 1.00 25.00 H new ATOM 384 N HIS B 5 -6.742 -8.738 -7.758 1.00 25.00 N ATOM 385 CA HIS B 5 -5.301 -8.813 -7.473 1.00 25.00 C ATOM 386 C HIS B 5 -4.532 -8.394 -8.735 1.00 25.00 C ATOM 387 O HIS B 5 -4.785 -8.958 -9.808 1.00 25.00 O ATOM 388 CB HIS B 5 -4.916 -10.247 -7.074 1.00 25.00 C ATOM 389 CG HIS B 5 -5.545 -10.687 -5.797 1.00 25.00 C ATOM 390 ND1 HIS B 5 -5.066 -10.314 -4.545 1.00 25.00 N ATOM 391 CD2 HIS B 5 -6.619 -11.473 -5.526 1.00 25.00 C ATOM 392 CE1 HIS B 5 -5.808 -10.869 -3.606 1.00 25.00 C ATOM 393 NE2 HIS B 5 -6.749 -11.567 -4.174 1.00 25.00 N ATOM 0 H HIS B 5 -7.180 -9.642 -7.937 1.00 25.00 H new ATOM 0 HA HIS B 5 -5.051 -8.147 -6.647 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -5.209 -10.931 -7.871 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -3.832 -10.313 -6.980 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -4.265 -9.705 -4.379 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.260 -11.943 -6.257 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -5.659 -10.762 -2.542 1.00 25.00 H new ATOM 402 N LEU B 6 -3.605 -7.452 -8.614 1.00 25.00 N ATOM 403 CA LEU B 6 -2.835 -6.943 -9.752 1.00 25.00 C ATOM 404 C LEU B 6 -1.379 -6.902 -9.369 1.00 25.00 C ATOM 405 O LEU B 6 -1.035 -6.482 -8.267 1.00 25.00 O ATOM 406 CB LEU B 6 -3.310 -5.544 -10.137 1.00 25.00 C ATOM 407 CG LEU B 6 -4.747 -5.439 -10.695 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.357 -4.129 -10.301 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.698 -5.557 -12.212 1.00 25.00 C ATOM 0 H LEU B 6 -3.362 -7.016 -7.724 1.00 25.00 H new ATOM 0 HA LEU B 6 -2.978 -7.600 -10.610 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.237 -4.904 -9.258 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.623 -5.142 -10.882 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.359 -6.243 -10.285 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.370 -4.065 -10.699 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.389 -4.055 -9.214 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.757 -3.313 -10.703 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.708 -5.484 -12.615 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.085 -4.753 -12.620 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.266 -6.519 -12.488 1.00 25.00 H new ATOM 421 N CYS B 7 -0.507 -7.325 -10.270 1.00 25.00 N ATOM 422 CA CYS B 7 0.927 -7.378 -9.998 1.00 25.00 C ATOM 423 C CYS B 7 1.710 -6.989 -11.260 1.00 25.00 C ATOM 424 O CYS B 7 1.168 -7.019 -12.381 1.00 25.00 O ATOM 425 CB CYS B 7 1.315 -8.794 -9.538 1.00 25.00 C ATOM 426 SG CYS B 7 2.147 -8.902 -7.919 1.00 25.00 S ATOM 0 H CYS B 7 -0.767 -7.640 -11.205 1.00 25.00 H new ATOM 0 HA CYS B 7 1.173 -6.672 -9.204 1.00 25.00 H new ATOM 0 HB2 CYS B 7 0.413 -9.404 -9.503 1.00 25.00 H new ATOM 0 HB3 CYS B 7 1.968 -9.234 -10.291 1.00 25.00 H new ATOM 431 N GLY B 8 2.972 -6.620 -11.087 1.00 25.00 N ATOM 432 CA GLY B 8 3.860 -6.300 -12.202 1.00 25.00 C ATOM 433 C GLY B 8 3.301 -5.357 -13.255 1.00 25.00 C ATOM 434 O GLY B 8 2.684 -4.338 -12.960 1.00 25.00 O ATOM 0 H GLY B 8 3.411 -6.533 -10.171 1.00 25.00 H new ATOM 0 HA2 GLY B 8 4.772 -5.861 -11.798 1.00 25.00 H new ATOM 0 HA3 GLY B 8 4.144 -7.231 -12.692 1.00 25.00 H new ATOM 438 N SER B 9 3.515 -5.710 -14.517 1.00 25.00 N ATOM 439 CA SER B 9 3.022 -4.902 -15.623 1.00 25.00 C ATOM 440 C SER B 9 1.493 -4.797 -15.611 1.00 25.00 C ATOM 441 O SER B 9 0.979 -3.769 -16.010 1.00 25.00 O ATOM 442 CB SER B 9 3.497 -5.541 -16.918 1.00 25.00 C ATOM 443 OG SER B 9 4.832 -5.958 -16.768 1.00 25.00 O ATOM 0 H SER B 9 4.025 -6.548 -14.798 1.00 25.00 H new ATOM 0 HA SER B 9 3.410 -3.888 -15.529 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.864 -6.392 -17.171 1.00 25.00 H new ATOM 0 HB3 SER B 9 3.416 -4.829 -17.739 1.00 25.00 H new ATOM 0 HG SER B 9 5.141 -6.372 -17.601 1.00 25.00 H new ATOM 449 N HIS B 10 0.795 -5.801 -15.091 1.00 25.00 N ATOM 450 CA HIS B 10 -0.650 -5.711 -14.959 1.00 25.00 C ATOM 451 C HIS B 10 -1.009 -4.585 -13.969 1.00 25.00 C ATOM 452 O HIS B 10 -1.933 -3.801 -14.222 1.00 25.00 O ATOM 453 CB HIS B 10 -1.247 -7.019 -14.487 1.00 25.00 C ATOM 454 CG HIS B 10 -2.605 -7.291 -15.039 1.00 25.00 C ATOM 455 ND1 HIS B 10 -3.311 -8.493 -14.847 1.00 25.00 N ATOM 456 CD2 HIS B 10 -3.427 -6.528 -15.805 1.00 25.00 C ATOM 457 CE1 HIS B 10 -4.486 -8.394 -15.466 1.00 25.00 C ATOM 458 NE2 HIS B 10 -4.566 -7.223 -16.048 1.00 25.00 N ATOM 0 H HIS B 10 1.202 -6.675 -14.759 1.00 25.00 H new ATOM 0 HA HIS B 10 -1.067 -5.488 -15.941 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -0.580 -7.835 -14.767 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.302 -7.012 -13.398 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.210 -5.532 -16.162 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -5.250 -9.157 -15.485 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -5.358 -6.888 -16.596 1.00 25.00 H new ATOM 467 N LEU B 11 -0.244 -4.442 -12.891 1.00 25.00 N ATOM 468 CA LEU B 11 -0.440 -3.334 -11.934 1.00 25.00 C ATOM 469 C LEU B 11 -0.175 -1.987 -12.612 1.00 25.00 C ATOM 470 O LEU B 11 -0.947 -1.041 -12.462 1.00 25.00 O ATOM 471 CB LEU B 11 0.491 -3.482 -10.711 1.00 25.00 C ATOM 472 CG LEU B 11 -0.149 -3.327 -9.332 1.00 25.00 C ATOM 473 CD1 LEU B 11 0.918 -3.560 -8.249 1.00 25.00 C ATOM 474 CD2 LEU B 11 -0.813 -1.982 -9.134 1.00 25.00 C ATOM 0 H LEU B 11 0.519 -5.074 -12.650 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.475 -3.372 -11.594 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.960 -4.465 -10.759 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.288 -2.744 -10.800 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.939 -4.073 -9.253 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.466 -3.450 -7.263 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.327 -4.565 -8.351 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.719 -2.830 -8.364 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.248 -1.935 -8.136 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.072 -1.191 -9.245 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.598 -1.851 -9.879 1.00 25.00 H new ATOM 486 N VAL B 12 0.905 -1.919 -13.393 1.00 25.00 N ATOM 487 CA VAL B 12 1.251 -0.688 -14.101 1.00 25.00 C ATOM 488 C VAL B 12 0.135 -0.331 -15.083 1.00 25.00 C ATOM 489 O VAL B 12 -0.283 0.842 -15.154 1.00 25.00 O ATOM 490 CB VAL B 12 2.595 -0.823 -14.887 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.862 0.431 -15.716 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.760 -1.038 -13.915 1.00 25.00 C ATOM 0 H VAL B 12 1.549 -2.695 -13.550 1.00 25.00 H new ATOM 0 HA VAL B 12 1.372 0.097 -13.355 1.00 25.00 H new ATOM 0 HB VAL B 12 2.511 -1.682 -15.552 1.00 25.00 H new ATOM 0 HG11 VAL B 12 3.802 0.317 -16.256 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.050 0.576 -16.429 1.00 25.00 H new ATOM 0 HG13 VAL B 12 2.925 1.297 -15.057 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.690 -1.130 -14.476 1.00 25.00 H new ATOM 0 HG22 VAL B 12 3.829 -0.188 -13.236 1.00 25.00 H new ATOM 0 HG23 VAL B 12 3.591 -1.949 -13.340 1.00 25.00 H new ATOM 502 N GLU B 13 -0.398 -1.331 -15.786 1.00 25.00 N ATOM 503 CA GLU B 13 -1.504 -1.087 -16.714 1.00 25.00 C ATOM 504 C GLU B 13 -2.714 -0.515 -15.982 1.00 25.00 C ATOM 505 O GLU B 13 -3.337 0.384 -16.463 1.00 25.00 O ATOM 506 CB GLU B 13 -1.937 -2.372 -17.384 1.00 25.00 C ATOM 507 CG GLU B 13 -1.175 -2.679 -18.667 1.00 25.00 C ATOM 508 CD GLU B 13 -1.743 -3.871 -19.383 1.00 25.00 C ATOM 509 OE1 GLU B 13 -2.658 -3.821 -20.133 1.00 25.00 O ATOM 510 OE2 GLU B 13 -1.286 -4.997 -18.973 1.00 25.00 O ATOM 0 H GLU B 13 -0.089 -2.302 -15.733 1.00 25.00 H new ATOM 0 HA GLU B 13 -1.145 -0.376 -17.458 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.804 -3.198 -16.686 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -3.002 -2.313 -17.609 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.207 -1.811 -19.325 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.127 -2.862 -18.432 1.00 25.00 H new ATOM 518 N ALA B 14 -3.048 -1.060 -14.812 1.00 25.00 N ATOM 519 CA ALA B 14 -4.198 -0.560 -14.049 1.00 25.00 C ATOM 520 C ALA B 14 -4.002 0.909 -13.682 1.00 25.00 C ATOM 521 O ALA B 14 -4.886 1.732 -13.894 1.00 25.00 O ATOM 522 CB ALA B 14 -4.402 -1.391 -12.815 1.00 25.00 C ATOM 0 H ALA B 14 -2.550 -1.835 -14.375 1.00 25.00 H new ATOM 0 HA ALA B 14 -5.089 -0.638 -14.672 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -5.258 -1.010 -12.257 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -4.586 -2.427 -13.100 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -3.510 -1.340 -12.190 1.00 25.00 H new ATOM 528 N LEU B 15 -2.807 1.235 -13.205 1.00 25.00 N ATOM 529 CA LEU B 15 -2.481 2.633 -12.846 1.00 25.00 C ATOM 530 C LEU B 15 -2.546 3.536 -14.054 1.00 25.00 C ATOM 531 O LEU B 15 -2.996 4.677 -13.981 1.00 25.00 O ATOM 532 CB LEU B 15 -1.088 2.697 -12.224 1.00 25.00 C ATOM 533 CG LEU B 15 -0.973 3.226 -10.787 1.00 25.00 C ATOM 534 CD1 LEU B 15 0.437 3.074 -10.252 1.00 25.00 C ATOM 535 CD2 LEU B 15 -1.359 4.677 -10.674 1.00 25.00 C ATOM 0 H LEU B 15 -2.049 0.570 -13.055 1.00 25.00 H new ATOM 0 HA LEU B 15 -3.219 2.980 -12.123 1.00 25.00 H new ATOM 0 HB2 LEU B 15 -0.664 1.693 -12.247 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.464 3.322 -12.863 1.00 25.00 H new ATOM 0 HG LEU B 15 -1.667 2.625 -10.199 1.00 25.00 H new ATOM 0 HD11 LEU B 15 0.483 3.458 -9.233 1.00 25.00 H new ATOM 0 HD12 LEU B 15 0.716 2.020 -10.255 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.128 3.634 -10.882 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.260 5.000 -9.638 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -0.705 5.278 -11.306 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.392 4.805 -10.997 1.00 25.00 H new ATOM 547 N TYR B 16 -2.099 3.036 -15.191 1.00 25.00 N ATOM 548 CA TYR B 16 -2.119 3.809 -16.427 1.00 25.00 C ATOM 549 C TYR B 16 -3.551 4.050 -16.909 1.00 25.00 C ATOM 550 O TYR B 16 -3.896 5.138 -17.317 1.00 25.00 O ATOM 551 CB TYR B 16 -1.337 3.099 -17.523 1.00 25.00 C ATOM 552 CG TYR B 16 -1.476 3.764 -18.875 1.00 25.00 C ATOM 553 CD1 TYR B 16 -0.678 4.859 -19.240 1.00 25.00 C ATOM 554 CD2 TYR B 16 -2.410 3.287 -19.797 1.00 25.00 C ATOM 555 CE1 TYR B 16 -0.812 5.478 -20.520 1.00 25.00 C ATOM 556 CE2 TYR B 16 -2.551 3.895 -21.083 1.00 25.00 C ATOM 557 CZ TYR B 16 -1.735 4.977 -21.434 1.00 25.00 C ATOM 558 OH TYR B 16 -1.848 5.536 -22.674 1.00 25.00 O ATOM 0 H TYR B 16 -1.716 2.096 -15.288 1.00 25.00 H new ATOM 0 HA TYR B 16 -1.651 4.770 -16.213 1.00 25.00 H new ATOM 0 HB2 TYR B 16 -0.283 3.067 -17.247 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -1.679 2.067 -17.595 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.051 5.241 -18.540 1.00 25.00 H new ATOM 0 HD2 TYR B 16 -3.035 2.446 -19.535 1.00 25.00 H new ATOM 0 HE1 TYR B 16 -0.201 6.330 -20.778 1.00 25.00 H new ATOM 0 HE2 TYR B 16 -3.285 3.521 -21.782 1.00 25.00 H new ATOM 0 HH TYR B 16 -2.539 5.064 -23.184 1.00 25.00 H new ATOM 568 N LEU B 17 -4.410 3.043 -16.838 1.00 25.00 N ATOM 569 CA LEU B 17 -5.789 3.193 -17.326 1.00 25.00 C ATOM 570 C LEU B 17 -6.583 4.135 -16.440 1.00 25.00 C ATOM 571 O LEU B 17 -7.362 4.932 -16.939 1.00 25.00 O ATOM 572 CB LEU B 17 -6.446 1.789 -17.434 1.00 25.00 C ATOM 573 CG LEU B 17 -5.858 0.891 -18.531 1.00 25.00 C ATOM 574 CD1 LEU B 17 -6.377 -0.542 -18.342 1.00 25.00 C ATOM 575 CD2 LEU B 17 -6.148 1.401 -19.946 1.00 25.00 C ATOM 0 H LEU B 17 -4.189 2.124 -16.455 1.00 25.00 H new ATOM 0 HA LEU B 17 -5.779 3.644 -18.318 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -6.346 1.281 -16.475 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -7.513 1.915 -17.619 1.00 25.00 H new ATOM 0 HG LEU B 17 -4.773 0.909 -18.429 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -5.962 -1.185 -19.119 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -6.073 -0.913 -17.363 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -7.465 -0.547 -18.410 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -5.706 0.722 -20.675 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -7.226 1.449 -20.102 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -5.719 2.395 -20.069 1.00 25.00 H new ATOM 587 N VAL B 18 -6.365 4.063 -15.125 1.00 25.00 N ATOM 588 CA VAL B 18 -7.119 4.928 -14.218 1.00 25.00 C ATOM 589 C VAL B 18 -6.538 6.359 -14.120 1.00 25.00 C ATOM 590 O VAL B 18 -7.274 7.332 -13.924 1.00 25.00 O ATOM 591 CB VAL B 18 -7.203 4.282 -12.788 1.00 25.00 C ATOM 592 CG1 VAL B 18 -5.866 4.172 -12.110 1.00 25.00 C ATOM 593 CG2 VAL B 18 -8.158 5.078 -11.885 1.00 25.00 C ATOM 0 H VAL B 18 -5.696 3.437 -14.677 1.00 25.00 H new ATOM 0 HA VAL B 18 -8.120 5.021 -14.640 1.00 25.00 H new ATOM 0 HB VAL B 18 -7.582 3.272 -12.940 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.993 3.718 -11.127 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -5.202 3.552 -12.713 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -5.432 5.166 -11.998 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -8.200 4.612 -10.900 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -7.797 6.102 -11.787 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -9.155 5.085 -12.326 1.00 25.00 H new ATOM 603 N CYS B 19 -5.218 6.489 -14.179 1.00 25.00 N ATOM 604 CA CYS B 19 -4.560 7.777 -13.926 1.00 25.00 C ATOM 605 C CYS B 19 -3.628 8.251 -15.020 1.00 25.00 C ATOM 606 O CYS B 19 -3.485 9.448 -15.275 1.00 25.00 O ATOM 607 CB CYS B 19 -3.713 7.682 -12.653 1.00 25.00 C ATOM 608 SG CYS B 19 -3.226 9.317 -12.046 1.00 25.00 S ATOM 0 H CYS B 19 -4.579 5.725 -14.399 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.381 8.490 -13.853 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -4.277 7.160 -11.880 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -2.821 7.088 -12.853 1.00 25.00 H new ATOM 613 N GLY B 20 -2.956 7.313 -15.659 1.00 25.00 N ATOM 614 CA GLY B 20 -1.961 7.680 -16.669 1.00 25.00 C ATOM 615 C GLY B 20 -2.562 8.436 -17.839 1.00 25.00 C ATOM 616 O GLY B 20 -2.017 9.444 -18.252 1.00 25.00 O ATOM 0 H GLY B 20 -3.071 6.311 -15.508 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -1.188 8.293 -16.205 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -1.474 6.777 -17.037 1.00 25.00 H new ATOM 620 N GLU B 21 -3.737 8.011 -18.289 1.00 25.00 N ATOM 621 CA GLU B 21 -4.462 8.724 -19.339 1.00 25.00 C ATOM 622 C GLU B 21 -5.149 10.001 -18.846 1.00 25.00 C ATOM 623 O GLU B 21 -5.804 10.692 -19.624 1.00 25.00 O ATOM 624 CB GLU B 21 -5.513 7.787 -19.930 1.00 25.00 C ATOM 625 CG GLU B 21 -4.923 6.618 -20.706 1.00 25.00 C ATOM 626 CD GLU B 21 -5.953 5.885 -21.534 1.00 25.00 C ATOM 627 OE1 GLU B 21 -6.772 6.424 -22.219 1.00 25.00 O ATOM 628 OE2 GLU B 21 -5.863 4.593 -21.438 1.00 25.00 O ATOM 0 H GLU B 21 -4.210 7.176 -17.944 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.729 9.030 -20.086 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.136 7.399 -19.124 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.166 8.358 -20.591 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.132 6.984 -21.360 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.462 5.920 -20.007 1.00 25.00 H new ATOM 636 N ARG B 22 -5.072 10.303 -17.548 1.00 25.00 N ATOM 637 CA ARG B 22 -5.698 11.496 -16.981 1.00 25.00 C ATOM 638 C ARG B 22 -4.655 12.534 -16.592 1.00 25.00 C ATOM 639 O ARG B 22 -4.956 13.750 -16.528 1.00 25.00 O ATOM 640 CB ARG B 22 -6.544 11.082 -15.762 1.00 25.00 C ATOM 641 CG ARG B 22 -7.317 12.240 -15.090 1.00 25.00 C ATOM 642 CD ARG B 22 -8.419 12.743 -15.970 1.00 25.00 C ATOM 643 NE ARG B 22 -9.622 11.903 -15.849 1.00 25.00 N ATOM 644 CZ ARG B 22 -10.768 12.112 -16.494 1.00 25.00 C ATOM 645 NH1 ARG B 22 -10.922 13.092 -17.369 1.00 25.00 N ATOM 646 NH2 ARG B 22 -11.780 11.313 -16.263 1.00 25.00 N ATOM 0 H ARG B 22 -4.576 9.730 -16.865 1.00 25.00 H new ATOM 0 HA ARG B 22 -6.341 11.955 -17.732 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -7.258 10.319 -16.074 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.889 10.622 -15.022 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.733 11.900 -14.142 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -6.630 13.055 -14.863 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.662 13.771 -15.702 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -8.083 12.755 -17.007 1.00 25.00 H new ATOM 0 HE ARG B 22 -9.574 11.099 -15.223 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.146 13.722 -17.571 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -11.817 13.218 -17.842 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -11.683 10.546 -15.598 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -12.665 11.458 -16.748 1.00 25.00 H new ATOM 660 N GLY B 23 -3.437 12.082 -16.343 1.00 25.00 N ATOM 661 CA GLY B 23 -2.365 12.962 -15.939 1.00 25.00 C ATOM 662 C GLY B 23 -1.207 12.797 -16.905 1.00 25.00 C ATOM 663 O GLY B 23 -1.407 12.691 -18.099 1.00 25.00 O ATOM 0 H GLY B 23 -3.170 11.100 -16.416 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -2.708 13.997 -15.934 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -2.046 12.727 -14.924 1.00 25.00 H new ATOM 667 N GLY B 24 0.006 12.781 -16.369 1.00 25.00 N ATOM 668 CA GLY B 24 1.192 12.598 -17.217 1.00 25.00 C ATOM 669 C GLY B 24 1.849 11.229 -17.082 1.00 25.00 C ATOM 670 O GLY B 24 2.409 10.724 -18.027 1.00 25.00 O ATOM 0 H GLY B 24 0.201 12.889 -15.374 1.00 25.00 H new ATOM 0 HA2 GLY B 24 0.908 12.752 -18.258 1.00 25.00 H new ATOM 0 HA3 GLY B 24 1.924 13.366 -16.970 1.00 25.00 H new ATOM 674 N PHE B 25 1.688 10.616 -15.905 1.00 25.00 N ATOM 675 CA PHE B 25 2.237 9.288 -15.590 1.00 25.00 C ATOM 676 C PHE B 25 3.782 9.223 -15.564 1.00 25.00 C ATOM 677 O PHE B 25 4.435 10.220 -15.817 1.00 25.00 O ATOM 678 CB PHE B 25 1.673 8.224 -16.557 1.00 25.00 C ATOM 679 CG PHE B 25 1.530 6.844 -15.951 1.00 25.00 C ATOM 680 CD1 PHE B 25 0.795 6.662 -14.753 1.00 25.00 C ATOM 681 CD2 PHE B 25 2.118 5.737 -16.564 1.00 25.00 C ATOM 682 CE1 PHE B 25 0.670 5.387 -14.167 1.00 25.00 C ATOM 683 CE2 PHE B 25 1.995 4.430 -15.988 1.00 25.00 C ATOM 684 CZ PHE B 25 1.252 4.264 -14.788 1.00 25.00 C ATOM 0 H PHE B 25 1.167 11.031 -15.133 1.00 25.00 H new ATOM 0 HA PHE B 25 1.914 9.075 -14.571 1.00 25.00 H new ATOM 0 HB2 PHE B 25 0.697 8.554 -16.913 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.325 8.160 -17.428 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.324 7.513 -14.283 1.00 25.00 H new ATOM 0 HD2 PHE B 25 2.672 5.866 -17.482 1.00 25.00 H new ATOM 0 HE1 PHE B 25 0.127 5.270 -13.241 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.463 3.579 -16.462 1.00 25.00 H new ATOM 0 HZ PHE B 25 1.134 3.282 -14.354 1.00 25.00 H new ATOM 694 N TYR B 26 4.332 8.077 -15.186 1.00 25.00 N ATOM 695 CA TYR B 26 5.784 7.913 -14.996 1.00 25.00 C ATOM 696 C TYR B 26 6.379 6.762 -15.821 1.00 25.00 C ATOM 697 O TYR B 26 7.586 6.548 -15.814 1.00 25.00 O ATOM 698 CB TYR B 26 6.083 7.671 -13.511 1.00 25.00 C ATOM 699 CG TYR B 26 5.601 6.309 -13.024 1.00 25.00 C ATOM 700 CD1 TYR B 26 4.265 6.113 -12.605 1.00 25.00 C ATOM 701 CD2 TYR B 26 6.486 5.214 -12.975 1.00 25.00 C ATOM 702 CE1 TYR B 26 3.823 4.855 -12.160 1.00 25.00 C ATOM 703 CE2 TYR B 26 6.045 3.946 -12.515 1.00 25.00 C ATOM 704 CZ TYR B 26 4.726 3.781 -12.118 1.00 25.00 C ATOM 705 OH TYR B 26 4.301 2.550 -11.675 1.00 25.00 O ATOM 0 H TYR B 26 3.793 7.231 -15.000 1.00 25.00 H new ATOM 0 HA TYR B 26 6.251 8.834 -15.346 1.00 25.00 H new ATOM 0 HB2 TYR B 26 7.157 7.752 -13.344 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.608 8.452 -12.918 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.574 6.942 -12.627 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.511 5.341 -13.291 1.00 25.00 H new ATOM 0 HE1 TYR B 26 2.797 4.716 -11.853 1.00 25.00 H new ATOM 0 HE2 TYR B 26 6.732 3.114 -12.474 1.00 25.00 H new ATOM 0 HH TYR B 26 5.047 1.915 -11.709 1.00 25.00 H new HETATM 715 N NVA B 27 5.467 6.011 -16.482 1.00 25.00 N HETATM 716 CA NVA B 27 5.671 4.816 -17.364 1.00 25.00 C HETATM 717 CB NVA B 27 5.233 5.129 -18.818 1.00 25.00 C HETATM 718 CG NVA B 27 4.589 3.911 -19.515 1.00 25.00 C HETATM 719 CD NVA B 27 4.856 3.863 -21.066 1.00 25.00 C HETATM 720 C NVA B 27 7.084 4.148 -17.308 1.00 25.00 C HETATM 721 O NVA B 27 8.015 4.614 -17.964 1.00 25.00 O HETATM 0 HG3 NVA B 27 4.971 2.997 -19.060 1.00 25.00 H new HETATM 0 HG2 NVA B 27 3.513 3.928 -19.340 1.00 25.00 H new HETATM 0 HD3 NVA B 27 4.449 4.760 -21.533 1.00 25.00 H new HETATM 0 HD1 NVA B 27 4.375 2.982 -21.491 1.00 25.00 H new HETATM 0 HB3 NVA B 27 4.524 5.957 -18.810 1.00 25.00 H new HETATM 0 HB2 NVA B 27 6.099 5.457 -19.393 1.00 25.00 H new HETATM 0 HA NVA B 27 5.021 4.049 -16.943 1.00 25.00 H new ATOM 730 N PRO B 28 7.284 3.021 -16.513 1.00 25.00 N ATOM 731 CA PRO B 28 8.599 2.365 -16.371 1.00 25.00 C ATOM 732 C PRO B 28 8.940 1.461 -17.580 1.00 25.00 C ATOM 733 O PRO B 28 8.971 0.215 -17.501 1.00 25.00 O ATOM 734 CB PRO B 28 8.444 1.585 -15.061 1.00 25.00 C ATOM 735 CG PRO B 28 7.043 1.175 -15.069 1.00 25.00 C ATOM 736 CD PRO B 28 6.275 2.345 -15.678 1.00 25.00 C ATOM 0 HA PRO B 28 9.433 3.066 -16.347 1.00 25.00 H new ATOM 0 HB2 PRO B 28 9.113 0.725 -15.025 1.00 25.00 H new ATOM 0 HB3 PRO B 28 8.675 2.206 -14.195 1.00 25.00 H new ATOM 0 HG2 PRO B 28 6.904 0.267 -15.656 1.00 25.00 H new ATOM 0 HG3 PRO B 28 6.692 0.959 -14.060 1.00 25.00 H new ATOM 0 HD2 PRO B 28 5.427 2.003 -16.271 1.00 25.00 H new ATOM 0 HD3 PRO B 28 5.880 3.009 -14.909 1.00 25.00 H new HETATM 744 N HIX B 29 9.243 2.108 -18.698 1.00 25.00 N HETATM 745 CA HIX B 29 9.639 1.447 -19.984 1.00 25.00 C HETATM 746 C HIX B 29 10.972 0.704 -19.840 1.00 25.00 C HETATM 747 O HIX B 29 12.039 1.279 -19.755 1.00 25.00 O HETATM 748 CB HIX B 29 9.656 2.435 -21.174 1.00 25.00 C HETATM 749 CG HIX B 29 8.229 2.779 -21.560 1.00 25.00 C HETATM 750 CD2 HIX B 29 7.245 3.208 -20.700 1.00 25.00 C HETATM 751 ND1 HIX B 29 7.639 2.713 -22.809 1.00 25.00 N HETATM 752 NE1 HIX B 29 6.301 3.119 -22.808 1.00 25.00 N HETATM 753 NE2 HIX B 29 6.177 3.390 -21.464 1.00 25.00 N ATOM 760 N THR B 30 10.873 -0.633 -19.728 1.00 25.00 N ATOM 761 CA THR B 30 11.993 -1.578 -19.404 1.00 25.00 C ATOM 762 C THR B 30 11.895 -2.882 -20.164 1.00 25.00 C ATOM 763 O THR B 30 12.861 -3.444 -20.608 1.00 25.00 O ATOM 764 CB THR B 30 12.061 -1.843 -17.883 1.00 25.00 C ATOM 765 OG1 THR B 30 10.749 -2.102 -17.411 1.00 25.00 O ATOM 766 CG2 THR B 30 12.597 -0.634 -17.103 1.00 25.00 C ATOM 767 OXT THR B 30 10.683 -3.342 -20.331 1.00 25.00 O ATOM 0 H THR B 30 9.985 -1.117 -19.863 1.00 25.00 H new ATOM 0 HA THR B 30 12.915 -1.092 -19.724 1.00 25.00 H new ATOM 0 HB THR B 30 12.734 -2.686 -17.727 1.00 25.00 H new ATOM 0 HG1 THR B 30 10.237 -1.267 -17.394 1.00 25.00 H new ATOM 0 HG21 THR B 30 12.625 -0.871 -16.039 1.00 25.00 H new ATOM 0 HG22 THR B 30 13.603 -0.395 -17.449 1.00 25.00 H new ATOM 0 HG23 THR B 30 11.944 0.223 -17.267 1.00 25.00 H new TER 776 THR B 30