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 Single : A 1 GLY N :NH3+ -118:sc= 0.00176 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0.019) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 9 SER OG : rot -73:sc= 0.318 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.203 K(o=0.2,f=-5.9!) USER MOD Single : A 18 ASN : amide:sc=-0.000909 X(o=-0.00091,f=-0.11) USER MOD Single : A 19 TYR OH : rot 165:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.312 K(o=0.31,f=-2.1!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -0.0138 X(o=-0.014,f=-0.23) USER MOD Single : B 9 SER OG : rot 180:sc= 0.135 USER MOD Single : B 10 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.2) 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 180:sc= 0.0573 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.462 -1.038 0.984 1.00 25.00 N ATOM 2 CA GLY A 1 3.143 -0.326 -0.274 1.00 25.00 C ATOM 3 C GLY A 1 2.170 -1.017 -1.210 1.00 25.00 C ATOM 4 O GLY A 1 1.595 -2.048 -0.921 1.00 25.00 O ATOM 0 H1 GLY A 1 3.156 -0.463 1.795 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.966 -1.952 1.001 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.488 -1.199 1.041 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.736 0.653 -0.019 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.074 -0.153 -0.815 1.00 25.00 H new ATOM 9 N ILE A 2 2.022 -0.438 -2.411 1.00 25.00 N ATOM 10 CA ILE A 2 1.097 -0.917 -3.446 1.00 25.00 C ATOM 11 C ILE A 2 1.190 -2.422 -3.712 1.00 25.00 C ATOM 12 O ILE A 2 0.192 -3.073 -3.972 1.00 25.00 O ATOM 13 CB ILE A 2 1.332 -0.148 -4.790 1.00 25.00 C ATOM 14 CG1 ILE A 2 0.291 -0.588 -5.836 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.803 -0.355 -5.314 1.00 25.00 C ATOM 16 CD1 ILE A 2 0.305 0.202 -7.080 1.00 25.00 C ATOM 0 H ILE A 2 2.550 0.388 -2.693 1.00 25.00 H new ATOM 0 HA ILE A 2 0.098 -0.720 -3.057 1.00 25.00 H new ATOM 0 HB ILE A 2 1.205 0.919 -4.609 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.463 -1.635 -6.083 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.702 -0.525 -5.391 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.937 0.190 -6.248 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.509 0.018 -4.572 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.982 -1.416 -5.485 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -0.459 -0.176 -7.760 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.101 1.248 -6.849 1.00 25.00 H new ATOM 0 HD13 ILE A 2 1.284 0.119 -7.552 1.00 25.00 H new ATOM 28 N VAL A 3 2.375 -2.996 -3.616 1.00 25.00 N ATOM 29 CA VAL A 3 2.542 -4.413 -3.889 1.00 25.00 C ATOM 30 C VAL A 3 1.754 -5.238 -2.866 1.00 25.00 C ATOM 31 O VAL A 3 1.022 -6.140 -3.231 1.00 25.00 O ATOM 32 CB VAL A 3 4.048 -4.788 -3.877 1.00 25.00 C ATOM 33 CG1 VAL A 3 4.243 -6.300 -4.034 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.792 -4.044 -5.012 1.00 25.00 C ATOM 0 H VAL A 3 3.231 -2.508 -3.353 1.00 25.00 H new ATOM 0 HA VAL A 3 2.150 -4.638 -4.881 1.00 25.00 H new ATOM 0 HB VAL A 3 4.461 -4.487 -2.915 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.308 -6.533 -4.022 1.00 25.00 H new ATOM 0 HG12 VAL A 3 3.749 -6.818 -3.212 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.811 -6.626 -4.980 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.848 -4.315 -4.994 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.362 -4.324 -5.974 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.691 -2.968 -4.869 1.00 25.00 H new ATOM 44 N GLU A 4 1.831 -4.896 -1.594 1.00 25.00 N ATOM 45 CA GLU A 4 1.115 -5.655 -0.572 1.00 25.00 C ATOM 46 C GLU A 4 -0.370 -5.278 -0.502 1.00 25.00 C ATOM 47 O GLU A 4 -1.175 -6.002 0.072 1.00 25.00 O ATOM 48 CB GLU A 4 1.806 -5.486 0.783 1.00 25.00 C ATOM 49 CG GLU A 4 3.219 -6.088 0.791 1.00 25.00 C ATOM 50 CD GLU A 4 3.820 -6.154 2.165 1.00 25.00 C ATOM 51 OE1 GLU A 4 3.720 -5.282 2.976 1.00 25.00 O ATOM 52 OE2 GLU A 4 4.481 -7.251 2.382 1.00 25.00 O ATOM 0 H GLU A 4 2.374 -4.108 -1.241 1.00 25.00 H new ATOM 0 HA GLU A 4 1.147 -6.708 -0.850 1.00 25.00 H new ATOM 0 HB2 GLU A 4 1.863 -4.426 1.031 1.00 25.00 H new ATOM 0 HB3 GLU A 4 1.205 -5.963 1.558 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.183 -7.092 0.368 1.00 25.00 H new ATOM 0 HG3 GLU A 4 3.865 -5.493 0.146 1.00 25.00 H new ATOM 60 N GLN A 5 -0.741 -4.185 -1.152 1.00 25.00 N ATOM 61 CA GLN A 5 -2.148 -3.770 -1.209 1.00 25.00 C ATOM 62 C GLN A 5 -2.894 -4.292 -2.447 1.00 25.00 C ATOM 63 O GLN A 5 -4.101 -4.472 -2.414 1.00 25.00 O ATOM 64 CB GLN A 5 -2.234 -2.247 -1.172 1.00 25.00 C ATOM 65 CG GLN A 5 -2.689 -1.706 0.186 1.00 25.00 C ATOM 66 CD GLN A 5 -1.735 -2.064 1.310 1.00 25.00 C ATOM 67 OE1 GLN A 5 -0.548 -1.810 1.227 1.00 25.00 O ATOM 68 NE2 GLN A 5 -2.249 -2.661 2.353 1.00 25.00 N ATOM 0 H GLN A 5 -0.097 -3.568 -1.647 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.636 -4.210 -0.339 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.258 -1.828 -1.415 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.927 -1.909 -1.942 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.783 -0.622 0.127 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -3.679 -2.100 0.416 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.249 -2.857 2.387 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -1.650 -2.930 3.133 1.00 25.00 H new ATOM 77 N CYS A 6 -2.176 -4.507 -3.539 1.00 25.00 N ATOM 78 CA CYS A 6 -2.780 -4.955 -4.799 1.00 25.00 C ATOM 79 C CYS A 6 -2.347 -6.346 -5.219 1.00 25.00 C ATOM 80 O CYS A 6 -3.151 -7.118 -5.729 1.00 25.00 O ATOM 81 CB CYS A 6 -2.420 -3.987 -5.928 1.00 25.00 C ATOM 82 SG CYS A 6 -3.263 -2.382 -5.791 1.00 25.00 S ATOM 0 H CYS A 6 -1.165 -4.379 -3.584 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.855 -4.979 -4.619 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.342 -3.825 -5.929 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.675 -4.444 -6.884 1.00 25.00 H new ATOM 87 N CYS A 7 -1.075 -6.682 -5.050 1.00 25.00 N ATOM 88 CA CYS A 7 -0.637 -8.031 -5.414 1.00 25.00 C ATOM 89 C CYS A 7 -1.156 -9.001 -4.353 1.00 25.00 C ATOM 90 O CYS A 7 -1.842 -9.970 -4.666 1.00 25.00 O ATOM 91 CB CYS A 7 0.890 -8.093 -5.529 1.00 25.00 C ATOM 92 SG CYS A 7 1.534 -9.499 -6.489 1.00 25.00 S ATOM 0 H CYS A 7 -0.349 -6.069 -4.678 1.00 25.00 H new ATOM 0 HA CYS A 7 -1.039 -8.308 -6.389 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.242 -7.169 -5.986 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.313 -8.134 -4.525 1.00 25.00 H new ATOM 97 N THR A 8 -0.869 -8.699 -3.094 1.00 25.00 N ATOM 98 CA THR A 8 -1.282 -9.553 -1.981 1.00 25.00 C ATOM 99 C THR A 8 -2.785 -9.483 -1.668 1.00 25.00 C ATOM 100 O THR A 8 -3.427 -10.510 -1.442 1.00 25.00 O ATOM 101 CB THR A 8 -0.499 -9.156 -0.709 1.00 25.00 C ATOM 102 OG1 THR A 8 0.899 -9.113 -1.013 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.706 -10.148 0.412 1.00 25.00 C ATOM 0 H THR A 8 -0.350 -7.867 -2.814 1.00 25.00 H new ATOM 0 HA THR A 8 -1.064 -10.576 -2.288 1.00 25.00 H new ATOM 0 HB THR A 8 -0.866 -8.182 -0.385 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.401 -8.860 -0.210 1.00 25.00 H new ATOM 0 HG21 THR A 8 -0.138 -9.832 1.287 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.765 -10.196 0.664 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.364 -11.133 0.094 1.00 25.00 H new ATOM 111 N SER A 9 -3.356 -8.287 -1.651 1.00 25.00 N ATOM 112 CA SER A 9 -4.767 -8.101 -1.303 1.00 25.00 C ATOM 113 C SER A 9 -5.532 -7.499 -2.490 1.00 25.00 C ATOM 114 O SER A 9 -4.975 -7.342 -3.571 1.00 25.00 O ATOM 115 CB SER A 9 -4.876 -7.238 -0.041 1.00 25.00 C ATOM 116 OG SER A 9 -3.988 -6.143 -0.083 1.00 25.00 O ATOM 0 H SER A 9 -2.864 -7.422 -1.875 1.00 25.00 H new ATOM 0 HA SER A 9 -5.225 -9.066 -1.085 1.00 25.00 H new ATOM 0 HB2 SER A 9 -5.898 -6.875 0.065 1.00 25.00 H new ATOM 0 HB3 SER A 9 -4.662 -7.847 0.837 1.00 25.00 H new ATOM 0 HG SER A 9 -3.070 -6.461 0.049 1.00 25.00 H new ATOM 122 N ILE A 10 -6.818 -7.240 -2.313 1.00 25.00 N ATOM 123 CA ILE A 10 -7.656 -6.688 -3.376 1.00 25.00 C ATOM 124 C ILE A 10 -7.614 -5.167 -3.259 1.00 25.00 C ATOM 125 O ILE A 10 -7.818 -4.623 -2.176 1.00 25.00 O ATOM 126 CB ILE A 10 -9.144 -7.155 -3.215 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.267 -8.691 -3.342 1.00 25.00 C ATOM 128 CG2 ILE A 10 -10.072 -6.461 -4.248 1.00 25.00 C ATOM 129 CD1 ILE A 10 -9.004 -9.258 -4.749 1.00 25.00 C ATOM 0 H ILE A 10 -7.312 -7.404 -1.436 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.285 -7.030 -4.342 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.464 -6.863 -2.215 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.568 -9.154 -2.645 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.269 -8.986 -3.031 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -11.096 -6.808 -4.108 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -10.032 -5.381 -4.105 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.741 -6.706 -5.257 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.115 -10.342 -4.731 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.719 -8.832 -5.453 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -7.991 -9.002 -5.061 1.00 25.00 H new ATOM 141 N CYS A 11 -7.404 -4.485 -4.377 1.00 25.00 N ATOM 142 CA CYS A 11 -7.428 -3.027 -4.396 1.00 25.00 C ATOM 143 C CYS A 11 -8.268 -2.567 -5.580 1.00 25.00 C ATOM 144 O CYS A 11 -8.497 -3.330 -6.526 1.00 25.00 O ATOM 145 CB CYS A 11 -6.009 -2.472 -4.507 1.00 25.00 C ATOM 146 SG CYS A 11 -5.216 -2.842 -6.101 1.00 25.00 S ATOM 0 H CYS A 11 -7.215 -4.916 -5.282 1.00 25.00 H new ATOM 0 HA CYS A 11 -7.864 -2.656 -3.468 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -6.036 -1.392 -4.365 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.401 -2.884 -3.702 1.00 25.00 H new ATOM 151 N SER A 12 -8.756 -1.338 -5.507 1.00 25.00 N ATOM 152 CA SER A 12 -9.631 -0.778 -6.527 1.00 25.00 C ATOM 153 C SER A 12 -9.015 0.489 -7.111 1.00 25.00 C ATOM 154 O SER A 12 -8.022 1.004 -6.591 1.00 25.00 O ATOM 155 CB SER A 12 -10.984 -0.431 -5.897 1.00 25.00 C ATOM 156 OG SER A 12 -11.524 -1.550 -5.211 1.00 25.00 O ATOM 0 H SER A 12 -8.556 -0.699 -4.737 1.00 25.00 H new ATOM 0 HA SER A 12 -9.764 -1.512 -7.322 1.00 25.00 H new ATOM 0 HB2 SER A 12 -10.864 0.402 -5.205 1.00 25.00 H new ATOM 0 HB3 SER A 12 -11.678 -0.105 -6.672 1.00 25.00 H new ATOM 0 HG SER A 12 -12.387 -1.306 -4.815 1.00 25.00 H new ATOM 162 N LEU A 13 -9.649 1.028 -8.143 1.00 25.00 N ATOM 163 CA LEU A 13 -9.213 2.287 -8.760 1.00 25.00 C ATOM 164 C LEU A 13 -9.144 3.434 -7.734 1.00 25.00 C ATOM 165 O LEU A 13 -8.327 4.343 -7.855 1.00 25.00 O ATOM 166 CB LEU A 13 -10.158 2.664 -9.922 1.00 25.00 C ATOM 167 CG LEU A 13 -11.659 2.927 -9.635 1.00 25.00 C ATOM 168 CD1 LEU A 13 -12.215 3.846 -10.722 1.00 25.00 C ATOM 169 CD2 LEU A 13 -12.504 1.640 -9.585 1.00 25.00 C ATOM 0 H LEU A 13 -10.474 0.614 -8.578 1.00 25.00 H new ATOM 0 HA LEU A 13 -8.206 2.134 -9.149 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -9.754 3.560 -10.393 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -10.103 1.864 -10.660 1.00 25.00 H new ATOM 0 HG LEU A 13 -11.722 3.388 -8.649 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -13.271 4.038 -10.531 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -11.668 4.789 -10.717 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -12.104 3.367 -11.695 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -13.544 1.895 -9.380 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -12.439 1.124 -10.543 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -12.128 0.989 -8.796 1.00 25.00 H new ATOM 181 N TYR A 14 -9.964 3.335 -6.698 1.00 25.00 N ATOM 182 CA TYR A 14 -9.984 4.317 -5.616 1.00 25.00 C ATOM 183 C TYR A 14 -8.621 4.397 -4.939 1.00 25.00 C ATOM 184 O TYR A 14 -8.080 5.476 -4.743 1.00 25.00 O ATOM 185 CB TYR A 14 -11.057 3.929 -4.596 1.00 25.00 C ATOM 186 CG TYR A 14 -11.405 5.035 -3.631 1.00 25.00 C ATOM 187 CD1 TYR A 14 -10.618 5.284 -2.486 1.00 25.00 C ATOM 188 CD2 TYR A 14 -12.537 5.848 -3.855 1.00 25.00 C ATOM 189 CE1 TYR A 14 -10.960 6.322 -1.581 1.00 25.00 C ATOM 190 CE2 TYR A 14 -12.882 6.886 -2.951 1.00 25.00 C ATOM 191 CZ TYR A 14 -12.089 7.113 -1.817 1.00 25.00 C ATOM 192 OH TYR A 14 -12.416 8.109 -0.936 1.00 25.00 O ATOM 0 H TYR A 14 -10.634 2.575 -6.581 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.216 5.297 -6.032 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -11.959 3.626 -5.128 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.713 3.062 -4.032 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -9.745 4.677 -2.296 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -13.150 5.677 -4.728 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -10.348 6.501 -0.709 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -13.752 7.499 -3.136 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.226 8.566 -1.245 1.00 25.00 H new ATOM 202 N GLN A 15 -8.049 3.243 -4.610 1.00 25.00 N ATOM 203 CA GLN A 15 -6.729 3.207 -3.995 1.00 25.00 C ATOM 204 C GLN A 15 -5.682 3.559 -5.035 1.00 25.00 C ATOM 205 O GLN A 15 -4.738 4.282 -4.740 1.00 25.00 O ATOM 206 CB GLN A 15 -6.421 1.813 -3.429 1.00 25.00 C ATOM 207 CG GLN A 15 -7.190 1.453 -2.144 1.00 25.00 C ATOM 208 CD GLN A 15 -8.673 1.241 -2.373 1.00 25.00 C ATOM 209 OE1 GLN A 15 -9.088 0.714 -3.394 1.00 25.00 O ATOM 210 NE2 GLN A 15 -9.478 1.674 -1.438 1.00 25.00 N ATOM 0 H GLN A 15 -8.475 2.328 -4.758 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.712 3.927 -3.177 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -6.648 1.068 -4.192 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.352 1.747 -3.227 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -6.762 0.547 -1.715 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.052 2.248 -1.412 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -9.097 2.109 -0.598 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -10.487 1.577 -1.549 1.00 25.00 H new ATOM 219 N LEU A 16 -5.849 3.065 -6.258 1.00 25.00 N ATOM 220 CA LEU A 16 -4.838 3.302 -7.294 1.00 25.00 C ATOM 221 C LEU A 16 -4.617 4.771 -7.596 1.00 25.00 C ATOM 222 O LEU A 16 -3.491 5.170 -7.846 1.00 25.00 O ATOM 223 CB LEU A 16 -5.168 2.570 -8.586 1.00 25.00 C ATOM 224 CG LEU A 16 -4.438 1.230 -8.756 1.00 25.00 C ATOM 225 CD1 LEU A 16 -4.934 0.177 -7.785 1.00 25.00 C ATOM 226 CD2 LEU A 16 -4.609 0.731 -10.162 1.00 25.00 C ATOM 0 H LEU A 16 -6.652 2.511 -6.556 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.912 2.905 -6.877 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -6.243 2.393 -8.625 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -4.920 3.215 -9.429 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.384 1.407 -8.543 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -4.387 -0.752 -7.945 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.774 0.521 -6.763 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -5.998 0.004 -7.948 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -4.089 -0.220 -10.276 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -5.669 0.592 -10.372 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -4.193 1.458 -10.859 1.00 25.00 H new ATOM 238 N GLU A 17 -5.647 5.598 -7.505 1.00 25.00 N ATOM 239 CA GLU A 17 -5.436 7.031 -7.687 1.00 25.00 C ATOM 240 C GLU A 17 -4.448 7.583 -6.655 1.00 25.00 C ATOM 241 O GLU A 17 -3.669 8.479 -6.961 1.00 25.00 O ATOM 242 CB GLU A 17 -6.749 7.811 -7.588 1.00 25.00 C ATOM 243 CG GLU A 17 -7.628 7.677 -8.826 1.00 25.00 C ATOM 244 CD GLU A 17 -8.637 8.783 -8.937 1.00 25.00 C ATOM 245 OE1 GLU A 17 -8.352 9.915 -9.243 1.00 25.00 O ATOM 246 OE2 GLU A 17 -9.850 8.404 -8.690 1.00 25.00 O ATOM 0 H GLU A 17 -6.609 5.318 -7.313 1.00 25.00 H new ATOM 0 HA GLU A 17 -5.022 7.160 -8.687 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -7.305 7.463 -6.717 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -6.525 8.865 -7.423 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -6.999 7.673 -9.716 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.146 6.718 -8.798 1.00 25.00 H new ATOM 254 N ASN A 18 -4.438 7.033 -5.448 1.00 25.00 N ATOM 255 CA ASN A 18 -3.534 7.520 -4.405 1.00 25.00 C ATOM 256 C ASN A 18 -2.109 7.041 -4.661 1.00 25.00 C ATOM 257 O ASN A 18 -1.159 7.576 -4.109 1.00 25.00 O ATOM 258 CB ASN A 18 -4.004 7.063 -3.023 1.00 25.00 C ATOM 259 CG ASN A 18 -5.347 7.634 -2.658 1.00 25.00 C ATOM 260 OD1 ASN A 18 -5.577 8.822 -2.765 1.00 25.00 O ATOM 261 ND2 ASN A 18 -6.251 6.788 -2.245 1.00 25.00 N ATOM 0 H ASN A 18 -5.037 6.258 -5.165 1.00 25.00 H new ATOM 0 HA ASN A 18 -3.545 8.610 -4.432 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.057 5.974 -3.001 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -3.269 7.362 -2.275 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.185 7.118 -2.000 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.024 5.797 -2.167 1.00 25.00 H new ATOM 268 N TYR A 19 -1.951 6.071 -5.557 1.00 25.00 N ATOM 269 CA TYR A 19 -0.622 5.609 -5.960 1.00 25.00 C ATOM 270 C TYR A 19 -0.149 6.425 -7.156 1.00 25.00 C ATOM 271 O TYR A 19 0.892 6.140 -7.738 1.00 25.00 O ATOM 272 CB TYR A 19 -0.631 4.115 -6.303 1.00 25.00 C ATOM 273 CG TYR A 19 -1.137 3.239 -5.176 1.00 25.00 C ATOM 274 CD1 TYR A 19 -0.751 3.467 -3.841 1.00 25.00 C ATOM 275 CD2 TYR A 19 -2.011 2.165 -5.442 1.00 25.00 C ATOM 276 CE1 TYR A 19 -1.236 2.648 -2.800 1.00 25.00 C ATOM 277 CE2 TYR A 19 -2.505 1.357 -4.404 1.00 25.00 C ATOM 278 CZ TYR A 19 -2.116 1.604 -3.088 1.00 25.00 C ATOM 279 OH TYR A 19 -2.596 0.825 -2.078 1.00 25.00 O ATOM 0 H TYR A 19 -2.723 5.589 -6.018 1.00 25.00 H new ATOM 0 HA TYR A 19 0.065 5.749 -5.125 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.254 3.956 -7.183 1.00 25.00 H new ATOM 0 HB3 TYR A 19 0.380 3.805 -6.568 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -0.076 4.278 -3.612 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -2.306 1.960 -6.461 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -0.927 2.829 -1.781 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -3.184 0.547 -4.625 1.00 25.00 H new ATOM 0 HH TYR A 19 -3.366 0.310 -2.399 1.00 25.00 H new ATOM 289 N CYS A 20 -0.931 7.434 -7.520 1.00 25.00 N ATOM 290 CA CYS A 20 -0.583 8.336 -8.615 1.00 25.00 C ATOM 291 C CYS A 20 -0.452 9.764 -8.069 1.00 25.00 C ATOM 292 O CYS A 20 0.448 10.511 -8.424 1.00 25.00 O ATOM 293 CB CYS A 20 -1.668 8.273 -9.685 1.00 25.00 C ATOM 294 SG CYS A 20 -1.229 9.183 -11.189 1.00 25.00 S ATOM 0 H CYS A 20 -1.820 7.651 -7.069 1.00 25.00 H new ATOM 0 HA CYS A 20 0.367 8.037 -9.059 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -1.860 7.231 -9.940 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -2.595 8.678 -9.279 1.00 25.00 H new ATOM 299 N ASN A 21 -1.387 10.128 -7.187 1.00 25.00 N ATOM 300 CA ASN A 21 -1.403 11.414 -6.476 1.00 25.00 C ATOM 301 C ASN A 21 -1.235 11.195 -4.972 1.00 25.00 C ATOM 302 O ASN A 21 -2.117 10.837 -4.228 1.00 25.00 O ATOM 303 CB ASN A 21 -2.707 12.183 -6.781 1.00 25.00 C ATOM 304 CG ASN A 21 -2.750 13.453 -5.981 1.00 25.00 C ATOM 305 OD1 ASN A 21 -1.868 14.272 -5.975 1.00 25.00 O ATOM 306 ND2 ASN A 21 -3.839 13.644 -5.253 1.00 25.00 N ATOM 307 OXT ASN A 21 -0.027 11.372 -4.553 1.00 25.00 O ATOM 0 H ASN A 21 -2.172 9.525 -6.940 1.00 25.00 H new ATOM 0 HA ASN A 21 -0.565 12.017 -6.826 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -2.765 12.411 -7.845 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -3.570 11.562 -6.541 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -3.932 14.486 -4.686 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -4.585 12.949 -5.260 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -12.815 -0.462 -15.420 1.00 25.00 N ATOM 317 CA PHE B 1 -11.975 -0.960 -14.297 1.00 25.00 C ATOM 318 C PHE B 1 -12.701 -1.899 -13.328 1.00 25.00 C ATOM 319 O PHE B 1 -13.780 -1.647 -12.847 1.00 25.00 O ATOM 320 CB PHE B 1 -11.453 0.257 -13.509 1.00 25.00 C ATOM 321 CG PHE B 1 -10.270 -0.040 -12.606 1.00 25.00 C ATOM 322 CD1 PHE B 1 -10.443 -0.778 -11.426 1.00 25.00 C ATOM 323 CD2 PHE B 1 -8.994 0.415 -12.948 1.00 25.00 C ATOM 324 CE1 PHE B 1 -9.356 -1.075 -10.617 1.00 25.00 C ATOM 325 CE2 PHE B 1 -7.903 0.129 -12.123 1.00 25.00 C ATOM 326 CZ PHE B 1 -8.085 -0.623 -10.962 1.00 25.00 C ATOM 0 H1 PHE B 1 -12.248 0.165 -16.026 1.00 25.00 H new ATOM 0 H2 PHE B 1 -13.158 -1.268 -15.981 1.00 25.00 H new ATOM 0 H3 PHE B 1 -13.626 0.066 -15.039 1.00 25.00 H new ATOM 0 HA PHE B 1 -11.172 -1.547 -14.744 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -11.168 1.037 -14.215 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -12.266 0.657 -12.903 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -11.429 -1.117 -11.145 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -8.851 0.989 -13.852 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -9.496 -1.658 -9.718 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -6.919 0.490 -12.384 1.00 25.00 H new ATOM 0 HZ PHE B 1 -7.240 -0.855 -10.331 1.00 25.00 H new ATOM 337 N VAL B 2 -12.039 -3.012 -12.980 1.00 25.00 N ATOM 338 CA VAL B 2 -12.560 -3.945 -11.974 1.00 25.00 C ATOM 339 C VAL B 2 -11.474 -4.219 -10.936 1.00 25.00 C ATOM 340 O VAL B 2 -10.281 -4.323 -11.253 1.00 25.00 O ATOM 341 CB VAL B 2 -13.099 -5.265 -12.630 1.00 25.00 C ATOM 342 CG1 VAL B 2 -11.981 -6.041 -13.345 1.00 25.00 C ATOM 343 CG2 VAL B 2 -13.778 -6.159 -11.589 1.00 25.00 C ATOM 0 H VAL B 2 -11.142 -3.287 -13.381 1.00 25.00 H new ATOM 0 HA VAL B 2 -13.415 -3.490 -11.473 1.00 25.00 H new ATOM 0 HB VAL B 2 -13.838 -4.973 -13.376 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -12.393 -6.948 -13.786 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -11.551 -5.419 -14.130 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.206 -6.307 -12.626 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -14.142 -7.066 -12.071 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -13.060 -6.423 -10.813 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -14.616 -5.625 -11.142 1.00 25.00 H new ATOM 353 N ASN B 3 -11.890 -4.277 -9.682 1.00 25.00 N ATOM 354 CA ASN B 3 -10.995 -4.525 -8.553 1.00 25.00 C ATOM 355 C ASN B 3 -10.641 -6.006 -8.475 1.00 25.00 C ATOM 356 O ASN B 3 -11.511 -6.871 -8.511 1.00 25.00 O ATOM 357 CB ASN B 3 -11.664 -4.061 -7.257 1.00 25.00 C ATOM 358 CG ASN B 3 -13.024 -4.657 -7.063 1.00 25.00 C ATOM 359 OD1 ASN B 3 -13.980 -4.259 -7.713 1.00 25.00 O ATOM 360 ND2 ASN B 3 -13.131 -5.589 -6.170 1.00 25.00 N ATOM 0 H ASN B 3 -12.866 -4.153 -9.412 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.072 -3.962 -8.695 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -11.031 -4.327 -6.411 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -11.746 -2.974 -7.264 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -14.038 -6.019 -5.988 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -12.308 -5.893 -5.649 1.00 25.00 H new ATOM 367 N GLN B 4 -9.352 -6.291 -8.415 1.00 25.00 N ATOM 368 CA GLN B 4 -8.830 -7.660 -8.438 1.00 25.00 C ATOM 369 C GLN B 4 -7.386 -7.591 -7.951 1.00 25.00 C ATOM 370 O GLN B 4 -6.858 -6.502 -7.724 1.00 25.00 O ATOM 371 CB GLN B 4 -8.865 -8.223 -9.872 1.00 25.00 C ATOM 372 CG GLN B 4 -8.046 -7.407 -10.874 1.00 25.00 C ATOM 373 CD GLN B 4 -8.126 -7.941 -12.276 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.675 -9.034 -12.568 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.685 -7.162 -13.164 1.00 25.00 N ATOM 0 H GLN B 4 -8.626 -5.578 -8.348 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.433 -8.312 -7.806 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.492 -9.247 -9.860 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.900 -8.265 -10.211 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -8.396 -6.375 -10.865 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.004 -7.393 -10.556 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -9.053 -6.252 -12.885 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.754 -7.464 -14.136 1.00 25.00 H new ATOM 384 N HIS B 5 -6.741 -8.742 -7.828 1.00 25.00 N ATOM 385 CA HIS B 5 -5.321 -8.766 -7.488 1.00 25.00 C ATOM 386 C HIS B 5 -4.553 -8.330 -8.723 1.00 25.00 C ATOM 387 O HIS B 5 -4.823 -8.813 -9.820 1.00 25.00 O ATOM 388 CB HIS B 5 -4.867 -10.164 -7.077 1.00 25.00 C ATOM 389 CG HIS B 5 -5.434 -10.621 -5.773 1.00 25.00 C ATOM 390 ND1 HIS B 5 -4.904 -10.253 -4.536 1.00 25.00 N ATOM 391 CD2 HIS B 5 -6.496 -11.416 -5.471 1.00 25.00 C ATOM 392 CE1 HIS B 5 -5.638 -10.802 -3.578 1.00 25.00 C ATOM 393 NE2 HIS B 5 -6.589 -11.516 -4.114 1.00 25.00 N ATOM 0 H HIS B 5 -7.168 -9.660 -7.956 1.00 25.00 H new ATOM 0 HA HIS B 5 -5.137 -8.101 -6.644 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -5.152 -10.872 -7.855 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -3.779 -10.179 -7.015 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -4.087 -9.660 -4.392 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.154 -11.888 -6.185 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -5.474 -10.677 -2.518 1.00 25.00 H new ATOM 402 N LEU B 6 -3.617 -7.414 -8.551 1.00 25.00 N ATOM 403 CA LEU B 6 -2.837 -6.872 -9.660 1.00 25.00 C ATOM 404 C LEU B 6 -1.386 -6.824 -9.246 1.00 25.00 C ATOM 405 O LEU B 6 -1.070 -6.479 -8.123 1.00 25.00 O ATOM 406 CB LEU B 6 -3.328 -5.460 -10.004 1.00 25.00 C ATOM 407 CG LEU B 6 -4.699 -5.401 -10.693 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.302 -4.021 -10.499 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.574 -5.727 -12.185 1.00 25.00 C ATOM 0 H LEU B 6 -3.373 -7.022 -7.641 1.00 25.00 H new ATOM 0 HA LEU B 6 -2.953 -7.504 -10.540 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.374 -4.874 -9.086 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.592 -4.983 -10.651 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.354 -6.147 -10.242 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.275 -3.977 -10.988 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.421 -3.823 -9.434 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.643 -3.271 -10.936 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.558 -5.679 -12.652 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.911 -5.005 -12.661 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.164 -6.730 -12.305 1.00 25.00 H new ATOM 421 N CYS B 7 -0.501 -7.171 -10.164 1.00 25.00 N ATOM 422 CA CYS B 7 0.930 -7.209 -9.870 1.00 25.00 C ATOM 423 C CYS B 7 1.715 -6.856 -11.127 1.00 25.00 C ATOM 424 O CYS B 7 1.163 -6.931 -12.235 1.00 25.00 O ATOM 425 CB CYS B 7 1.305 -8.612 -9.381 1.00 25.00 C ATOM 426 SG CYS B 7 2.529 -8.622 -8.033 1.00 25.00 S ATOM 0 H CYS B 7 -0.743 -7.431 -11.120 1.00 25.00 H new ATOM 0 HA CYS B 7 1.171 -6.485 -9.092 1.00 25.00 H new ATOM 0 HB2 CYS B 7 0.403 -9.121 -9.043 1.00 25.00 H new ATOM 0 HB3 CYS B 7 1.699 -9.185 -10.220 1.00 25.00 H new ATOM 431 N GLY B 8 2.984 -6.494 -10.969 1.00 25.00 N ATOM 432 CA GLY B 8 3.859 -6.229 -12.108 1.00 25.00 C ATOM 433 C GLY B 8 3.289 -5.301 -13.171 1.00 25.00 C ATOM 434 O GLY B 8 2.630 -4.300 -12.881 1.00 25.00 O ATOM 0 H GLY B 8 3.432 -6.377 -10.060 1.00 25.00 H new ATOM 0 HA2 GLY B 8 4.789 -5.799 -11.737 1.00 25.00 H new ATOM 0 HA3 GLY B 8 4.112 -7.179 -12.578 1.00 25.00 H new ATOM 438 N SER B 9 3.513 -5.663 -14.429 1.00 25.00 N ATOM 439 CA SER B 9 3.006 -4.898 -15.556 1.00 25.00 C ATOM 440 C SER B 9 1.487 -4.784 -15.565 1.00 25.00 C ATOM 441 O SER B 9 0.947 -3.800 -16.034 1.00 25.00 O ATOM 442 CB SER B 9 3.475 -5.563 -16.843 1.00 25.00 C ATOM 443 OG SER B 9 4.651 -6.316 -16.576 1.00 25.00 O ATOM 0 H SER B 9 4.048 -6.490 -14.693 1.00 25.00 H new ATOM 0 HA SER B 9 3.395 -3.883 -15.470 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.694 -6.213 -17.237 1.00 25.00 H new ATOM 0 HB3 SER B 9 3.676 -4.809 -17.604 1.00 25.00 H new ATOM 0 HG SER B 9 4.957 -6.748 -17.401 1.00 25.00 H new ATOM 449 N HIS B 10 0.783 -5.760 -14.995 1.00 25.00 N ATOM 450 CA HIS B 10 -0.671 -5.677 -14.893 1.00 25.00 C ATOM 451 C HIS B 10 -1.058 -4.557 -13.923 1.00 25.00 C ATOM 452 O HIS B 10 -2.006 -3.809 -14.172 1.00 25.00 O ATOM 453 CB HIS B 10 -1.260 -7.018 -14.446 1.00 25.00 C ATOM 454 CG HIS B 10 -2.464 -7.421 -15.237 1.00 25.00 C ATOM 455 ND1 HIS B 10 -3.037 -8.695 -15.194 1.00 25.00 N ATOM 456 CD2 HIS B 10 -3.215 -6.733 -16.129 1.00 25.00 C ATOM 457 CE1 HIS B 10 -4.078 -8.719 -16.024 1.00 25.00 C ATOM 458 NE2 HIS B 10 -4.200 -7.551 -16.592 1.00 25.00 N ATOM 0 H HIS B 10 1.191 -6.608 -14.601 1.00 25.00 H new ATOM 0 HA HIS B 10 -1.083 -5.446 -15.875 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -0.497 -7.792 -14.536 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.529 -6.957 -13.391 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.059 -5.706 -16.424 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -4.719 -9.570 -16.199 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -4.916 -7.293 -17.271 1.00 25.00 H new ATOM 467 N LEU B 11 -0.292 -4.409 -12.847 1.00 25.00 N ATOM 468 CA LEU B 11 -0.499 -3.298 -11.910 1.00 25.00 C ATOM 469 C LEU B 11 -0.240 -1.972 -12.609 1.00 25.00 C ATOM 470 O LEU B 11 -1.018 -1.038 -12.485 1.00 25.00 O ATOM 471 CB LEU B 11 0.438 -3.399 -10.717 1.00 25.00 C ATOM 472 CG LEU B 11 -0.250 -3.393 -9.347 1.00 25.00 C ATOM 473 CD1 LEU B 11 0.829 -3.461 -8.274 1.00 25.00 C ATOM 474 CD2 LEU B 11 -1.146 -2.171 -9.156 1.00 25.00 C ATOM 0 H LEU B 11 0.473 -5.036 -12.599 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.530 -3.352 -11.562 1.00 25.00 H new ATOM 0 HB2 LEU B 11 1.021 -4.315 -10.809 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.142 -2.568 -10.756 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.908 -4.259 -9.273 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.363 -3.458 -7.289 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.409 -4.376 -8.398 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.489 -2.598 -8.366 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.611 -2.211 -8.171 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.547 -1.264 -9.237 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.920 -2.164 -9.923 1.00 25.00 H new ATOM 486 N VAL B 12 0.847 -1.912 -13.370 1.00 25.00 N ATOM 487 CA VAL B 12 1.181 -0.693 -14.116 1.00 25.00 C ATOM 488 C VAL B 12 0.078 -0.365 -15.130 1.00 25.00 C ATOM 489 O VAL B 12 -0.321 0.786 -15.248 1.00 25.00 O ATOM 490 CB VAL B 12 2.545 -0.839 -14.866 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.868 0.413 -15.694 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.679 -1.073 -13.855 1.00 25.00 C ATOM 0 H VAL B 12 1.508 -2.680 -13.490 1.00 25.00 H new ATOM 0 HA VAL B 12 1.266 0.118 -13.393 1.00 25.00 H new ATOM 0 HB VAL B 12 2.460 -1.691 -15.540 1.00 25.00 H new ATOM 0 HG11 VAL B 12 3.823 0.277 -16.202 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.083 0.573 -16.433 1.00 25.00 H new ATOM 0 HG13 VAL B 12 2.928 1.279 -15.035 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.625 -1.174 -14.387 1.00 25.00 H new ATOM 0 HG22 VAL B 12 3.736 -0.227 -13.170 1.00 25.00 H new ATOM 0 HG23 VAL B 12 3.481 -1.984 -13.291 1.00 25.00 H new ATOM 502 N GLU B 13 -0.434 -1.370 -15.820 1.00 25.00 N ATOM 503 CA GLU B 13 -1.512 -1.159 -16.783 1.00 25.00 C ATOM 504 C GLU B 13 -2.732 -0.581 -16.099 1.00 25.00 C ATOM 505 O GLU B 13 -3.320 0.366 -16.590 1.00 25.00 O ATOM 506 CB GLU B 13 -1.915 -2.478 -17.454 1.00 25.00 C ATOM 507 CG GLU B 13 -1.052 -2.859 -18.629 1.00 25.00 C ATOM 508 CD GLU B 13 -1.351 -4.243 -19.128 1.00 25.00 C ATOM 509 OE1 GLU B 13 -2.240 -4.497 -19.887 1.00 25.00 O ATOM 510 OE2 GLU B 13 -0.598 -5.161 -18.622 1.00 25.00 O ATOM 0 H GLU B 13 -0.125 -2.338 -15.735 1.00 25.00 H new ATOM 0 HA GLU B 13 -1.142 -0.463 -17.536 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.875 -3.277 -16.714 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.950 -2.403 -17.787 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.204 -2.143 -19.437 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.002 -2.797 -18.342 1.00 25.00 H new ATOM 518 N ALA B 14 -3.113 -1.131 -14.955 1.00 25.00 N ATOM 519 CA ALA B 14 -4.264 -0.611 -14.232 1.00 25.00 C ATOM 520 C ALA B 14 -4.028 0.840 -13.808 1.00 25.00 C ATOM 521 O ALA B 14 -4.913 1.675 -13.941 1.00 25.00 O ATOM 522 CB ALA B 14 -4.543 -1.484 -13.039 1.00 25.00 C ATOM 0 H ALA B 14 -2.650 -1.925 -14.513 1.00 25.00 H new ATOM 0 HA ALA B 14 -5.134 -0.623 -14.889 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -5.405 -1.095 -12.497 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -4.753 -2.500 -13.373 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -3.674 -1.490 -12.381 1.00 25.00 H new ATOM 528 N LEU B 15 -2.822 1.137 -13.340 1.00 25.00 N ATOM 529 CA LEU B 15 -2.469 2.493 -12.928 1.00 25.00 C ATOM 530 C LEU B 15 -2.479 3.455 -14.118 1.00 25.00 C ATOM 531 O LEU B 15 -2.908 4.598 -13.999 1.00 25.00 O ATOM 532 CB LEU B 15 -1.100 2.489 -12.255 1.00 25.00 C ATOM 533 CG LEU B 15 -1.105 2.842 -10.760 1.00 25.00 C ATOM 534 CD1 LEU B 15 0.252 2.501 -10.148 1.00 25.00 C ATOM 535 CD2 LEU B 15 -1.434 4.324 -10.532 1.00 25.00 C ATOM 0 H LEU B 15 -2.069 0.457 -13.236 1.00 25.00 H new ATOM 0 HA LEU B 15 -3.217 2.841 -12.216 1.00 25.00 H new ATOM 0 HB2 LEU B 15 -0.656 1.501 -12.377 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.454 3.196 -12.777 1.00 25.00 H new ATOM 0 HG LEU B 15 -1.883 2.254 -10.273 1.00 25.00 H new ATOM 0 HD11 LEU B 15 0.246 2.752 -9.087 1.00 25.00 H new ATOM 0 HD12 LEU B 15 0.448 1.435 -10.267 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.032 3.072 -10.652 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.429 4.538 -9.463 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -0.688 4.943 -11.030 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.420 4.545 -10.941 1.00 25.00 H new ATOM 547 N TYR B 16 -2.061 2.977 -15.278 1.00 25.00 N ATOM 548 CA TYR B 16 -2.115 3.769 -16.498 1.00 25.00 C ATOM 549 C TYR B 16 -3.571 4.033 -16.909 1.00 25.00 C ATOM 550 O TYR B 16 -3.909 5.136 -17.307 1.00 25.00 O ATOM 551 CB TYR B 16 -1.386 3.043 -17.634 1.00 25.00 C ATOM 552 CG TYR B 16 -1.803 3.529 -18.995 1.00 25.00 C ATOM 553 CD1 TYR B 16 -1.333 4.752 -19.507 1.00 25.00 C ATOM 554 CD2 TYR B 16 -2.703 2.776 -19.782 1.00 25.00 C ATOM 555 CE1 TYR B 16 -1.760 5.219 -20.790 1.00 25.00 C ATOM 556 CE2 TYR B 16 -3.121 3.233 -21.061 1.00 25.00 C ATOM 557 CZ TYR B 16 -2.645 4.451 -21.547 1.00 25.00 C ATOM 558 OH TYR B 16 -3.065 4.881 -22.777 1.00 25.00 O ATOM 0 H TYR B 16 -1.678 2.040 -15.402 1.00 25.00 H new ATOM 0 HA TYR B 16 -1.624 4.723 -16.306 1.00 25.00 H new ATOM 0 HB2 TYR B 16 -0.311 3.181 -17.517 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -1.580 1.973 -17.560 1.00 25.00 H new ATOM 0 HD1 TYR B 16 -0.642 5.345 -18.925 1.00 25.00 H new ATOM 0 HD2 TYR B 16 -3.080 1.837 -19.405 1.00 25.00 H new ATOM 0 HE1 TYR B 16 -1.399 6.163 -21.171 1.00 25.00 H new ATOM 0 HE2 TYR B 16 -3.803 2.641 -21.653 1.00 25.00 H new ATOM 0 HH TYR B 16 -3.678 4.221 -23.163 1.00 25.00 H new ATOM 568 N LEU B 17 -4.445 3.042 -16.784 1.00 25.00 N ATOM 569 CA LEU B 17 -5.829 3.212 -17.206 1.00 25.00 C ATOM 570 C LEU B 17 -6.535 4.218 -16.301 1.00 25.00 C ATOM 571 O LEU B 17 -7.289 5.058 -16.770 1.00 25.00 O ATOM 572 CB LEU B 17 -6.564 1.863 -17.186 1.00 25.00 C ATOM 573 CG LEU B 17 -6.086 0.845 -18.242 1.00 25.00 C ATOM 574 CD1 LEU B 17 -6.565 -0.560 -17.888 1.00 25.00 C ATOM 575 CD2 LEU B 17 -6.562 1.214 -19.644 1.00 25.00 C ATOM 0 H LEU B 17 -4.224 2.124 -16.399 1.00 25.00 H new ATOM 0 HA LEU B 17 -5.839 3.594 -18.227 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -6.450 1.419 -16.197 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -7.629 2.044 -17.333 1.00 25.00 H new ATOM 0 HG LEU B 17 -4.996 0.867 -18.239 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -6.218 -1.264 -18.644 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -6.165 -0.846 -16.915 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -7.654 -0.575 -17.851 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -6.204 0.472 -20.357 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -7.652 1.240 -19.663 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -6.171 2.195 -19.914 1.00 25.00 H new ATOM 587 N VAL B 18 -6.284 4.136 -15.004 1.00 25.00 N ATOM 588 CA VAL B 18 -6.935 5.050 -14.058 1.00 25.00 C ATOM 589 C VAL B 18 -6.281 6.447 -13.992 1.00 25.00 C ATOM 590 O VAL B 18 -6.967 7.445 -13.768 1.00 25.00 O ATOM 591 CB VAL B 18 -7.040 4.399 -12.637 1.00 25.00 C ATOM 592 CG1 VAL B 18 -5.675 4.181 -12.035 1.00 25.00 C ATOM 593 CG2 VAL B 18 -7.898 5.223 -11.691 1.00 25.00 C ATOM 0 H VAL B 18 -5.647 3.461 -14.580 1.00 25.00 H new ATOM 0 HA VAL B 18 -7.941 5.218 -14.442 1.00 25.00 H new ATOM 0 HB VAL B 18 -7.525 3.432 -12.773 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.780 3.728 -11.049 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -5.095 3.519 -12.678 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -5.161 5.138 -11.942 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -7.942 4.732 -10.719 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -7.463 6.216 -11.577 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -8.905 5.312 -12.098 1.00 25.00 H new ATOM 603 N CYS B 19 -4.969 6.534 -14.172 1.00 25.00 N ATOM 604 CA CYS B 19 -4.258 7.816 -14.032 1.00 25.00 C ATOM 605 C CYS B 19 -3.463 8.317 -15.240 1.00 25.00 C ATOM 606 O CYS B 19 -3.355 9.524 -15.454 1.00 25.00 O ATOM 607 CB CYS B 19 -3.287 7.743 -12.862 1.00 25.00 C ATOM 608 SG CYS B 19 -2.988 9.390 -12.153 1.00 25.00 S ATOM 0 H CYS B 19 -4.372 5.743 -14.414 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.071 8.529 -13.892 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.687 7.081 -12.094 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -2.343 7.311 -13.195 1.00 25.00 H new ATOM 613 N GLY B 20 -2.897 7.424 -16.027 1.00 25.00 N ATOM 614 CA GLY B 20 -2.140 7.844 -17.195 1.00 25.00 C ATOM 615 C GLY B 20 -3.056 8.456 -18.228 1.00 25.00 C ATOM 616 O GLY B 20 -2.790 9.529 -18.748 1.00 25.00 O ATOM 0 H GLY B 20 -2.944 6.415 -15.884 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -1.379 8.567 -16.902 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -1.618 6.989 -17.624 1.00 25.00 H new ATOM 620 N GLU B 21 -4.192 7.814 -18.460 1.00 25.00 N ATOM 621 CA GLU B 21 -5.181 8.323 -19.415 1.00 25.00 C ATOM 622 C GLU B 21 -5.896 9.558 -18.872 1.00 25.00 C ATOM 623 O GLU B 21 -6.529 10.304 -19.608 1.00 25.00 O ATOM 624 CB GLU B 21 -6.200 7.227 -19.738 1.00 25.00 C ATOM 625 CG GLU B 21 -5.543 6.024 -20.393 1.00 25.00 C ATOM 626 CD GLU B 21 -6.541 5.036 -20.925 1.00 25.00 C ATOM 627 OE1 GLU B 21 -7.362 4.484 -20.253 1.00 25.00 O ATOM 628 OE2 GLU B 21 -6.393 4.801 -22.189 1.00 25.00 O ATOM 0 H GLU B 21 -4.457 6.941 -18.004 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.656 8.614 -20.325 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.701 6.914 -18.822 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.968 7.628 -20.400 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.904 6.363 -21.208 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.898 5.528 -19.668 1.00 25.00 H new ATOM 636 N ARG B 22 -5.764 9.769 -17.571 1.00 25.00 N ATOM 637 CA ARG B 22 -6.333 10.931 -16.889 1.00 25.00 C ATOM 638 C ARG B 22 -5.461 12.173 -17.100 1.00 25.00 C ATOM 639 O ARG B 22 -5.913 13.302 -16.926 1.00 25.00 O ATOM 640 CB ARG B 22 -6.419 10.605 -15.415 1.00 25.00 C ATOM 641 CG ARG B 22 -7.307 11.482 -14.596 1.00 25.00 C ATOM 642 CD ARG B 22 -7.055 11.100 -13.175 1.00 25.00 C ATOM 643 NE ARG B 22 -6.783 12.267 -12.327 1.00 25.00 N ATOM 644 CZ ARG B 22 -7.605 12.781 -11.425 1.00 25.00 C ATOM 645 NH1 ARG B 22 -8.785 12.281 -11.177 1.00 25.00 N ATOM 646 NH2 ARG B 22 -7.219 13.828 -10.748 1.00 25.00 N ATOM 0 H ARG B 22 -5.257 9.137 -16.951 1.00 25.00 H new ATOM 0 HA ARG B 22 -7.321 11.150 -17.295 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.764 9.576 -15.311 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.414 10.648 -14.996 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.080 12.535 -14.764 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -8.354 11.335 -14.861 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -7.921 10.564 -12.786 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -6.209 10.415 -13.129 1.00 25.00 H new ATOM 0 HE ARG B 22 -5.878 12.724 -12.443 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.108 11.460 -11.688 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.384 12.712 -10.472 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -6.299 14.235 -10.918 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -7.837 14.239 -10.049 1.00 25.00 H new ATOM 660 N GLY B 23 -4.206 11.936 -17.457 1.00 25.00 N ATOM 661 CA GLY B 23 -3.264 13.016 -17.733 1.00 25.00 C ATOM 662 C GLY B 23 -2.203 13.209 -16.663 1.00 25.00 C ATOM 663 O GLY B 23 -1.595 14.271 -16.585 1.00 25.00 O ATOM 0 H GLY B 23 -3.814 11.000 -17.563 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -2.771 12.818 -18.685 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -3.820 13.946 -17.849 1.00 25.00 H new ATOM 667 N GLY B 24 -1.983 12.193 -15.839 1.00 25.00 N ATOM 668 CA GLY B 24 -0.944 12.248 -14.820 1.00 25.00 C ATOM 669 C GLY B 24 0.047 11.123 -15.034 1.00 25.00 C ATOM 670 O GLY B 24 0.471 10.874 -16.161 1.00 25.00 O ATOM 0 H GLY B 24 -2.511 11.320 -15.857 1.00 25.00 H new ATOM 0 HA2 GLY B 24 -0.431 13.209 -14.862 1.00 25.00 H new ATOM 0 HA3 GLY B 24 -1.390 12.168 -13.829 1.00 25.00 H new ATOM 674 N PHE B 25 0.332 10.393 -13.954 1.00 25.00 N ATOM 675 CA PHE B 25 1.188 9.192 -13.959 1.00 25.00 C ATOM 676 C PHE B 25 2.674 9.483 -14.232 1.00 25.00 C ATOM 677 O PHE B 25 3.052 10.606 -14.533 1.00 25.00 O ATOM 678 CB PHE B 25 0.615 8.152 -14.946 1.00 25.00 C ATOM 679 CG PHE B 25 1.061 6.749 -14.694 1.00 25.00 C ATOM 680 CD1 PHE B 25 0.988 6.198 -13.401 1.00 25.00 C ATOM 681 CD2 PHE B 25 1.543 5.957 -15.751 1.00 25.00 C ATOM 682 CE1 PHE B 25 1.398 4.887 -13.160 1.00 25.00 C ATOM 683 CE2 PHE B 25 1.954 4.627 -15.521 1.00 25.00 C ATOM 684 CZ PHE B 25 1.888 4.090 -14.215 1.00 25.00 C ATOM 0 H PHE B 25 -0.031 10.620 -13.028 1.00 25.00 H new ATOM 0 HA PHE B 25 1.170 8.782 -12.949 1.00 25.00 H new ATOM 0 HB2 PHE B 25 -0.473 8.188 -14.901 1.00 25.00 H new ATOM 0 HB3 PHE B 25 0.901 8.435 -15.959 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.610 6.797 -12.586 1.00 25.00 H new ATOM 0 HD2 PHE B 25 1.599 6.370 -16.747 1.00 25.00 H new ATOM 0 HE1 PHE B 25 1.340 4.480 -12.161 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.317 4.022 -16.339 1.00 25.00 H new ATOM 0 HZ PHE B 25 2.211 3.077 -14.027 1.00 25.00 H new ATOM 694 N TYR B 26 3.515 8.479 -14.015 1.00 25.00 N ATOM 695 CA TYR B 26 4.975 8.634 -14.097 1.00 25.00 C ATOM 696 C TYR B 26 5.604 7.780 -15.192 1.00 25.00 C ATOM 697 O TYR B 26 6.766 7.949 -15.507 1.00 25.00 O ATOM 698 CB TYR B 26 5.602 8.258 -12.747 1.00 25.00 C ATOM 699 CG TYR B 26 5.302 6.825 -12.323 1.00 25.00 C ATOM 700 CD1 TYR B 26 6.130 5.761 -12.735 1.00 25.00 C ATOM 701 CD2 TYR B 26 4.194 6.531 -11.496 1.00 25.00 C ATOM 702 CE1 TYR B 26 5.851 4.428 -12.336 1.00 25.00 C ATOM 703 CE2 TYR B 26 3.914 5.195 -11.098 1.00 25.00 C ATOM 704 CZ TYR B 26 4.743 4.160 -11.529 1.00 25.00 C ATOM 705 OH TYR B 26 4.472 2.864 -11.162 1.00 25.00 O ATOM 0 H TYR B 26 3.212 7.534 -13.777 1.00 25.00 H new ATOM 0 HA TYR B 26 5.172 9.677 -14.345 1.00 25.00 H new ATOM 0 HB2 TYR B 26 6.682 8.394 -12.805 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.235 8.941 -11.981 1.00 25.00 H new ATOM 0 HD1 TYR B 26 6.986 5.963 -13.361 1.00 25.00 H new ATOM 0 HD2 TYR B 26 3.551 7.332 -11.162 1.00 25.00 H new ATOM 0 HE1 TYR B 26 6.495 3.622 -12.656 1.00 25.00 H new ATOM 0 HE2 TYR B 26 3.064 4.983 -10.466 1.00 25.00 H new ATOM 0 HH TYR B 26 3.669 2.844 -10.600 1.00 25.00 H new HETATM 715 N NVA B 27 4.794 6.837 -15.726 1.00 25.00 N HETATM 716 CA NVA B 27 5.118 5.870 -16.822 1.00 25.00 C HETATM 717 CB NVA B 27 4.844 6.511 -18.219 1.00 25.00 C HETATM 718 CG NVA B 27 4.291 5.454 -19.235 1.00 25.00 C HETATM 719 CD NVA B 27 4.666 5.769 -20.712 1.00 25.00 C HETATM 720 C NVA B 27 6.544 5.176 -16.742 1.00 25.00 C HETATM 721 O NVA B 27 7.541 5.719 -17.190 1.00 25.00 O HETATM 0 HG3 NVA B 27 4.677 4.469 -18.971 1.00 25.00 H new HETATM 0 HG2 NVA B 27 3.206 5.406 -19.145 1.00 25.00 H new HETATM 0 HD3 NVA B 27 4.257 6.740 -20.992 1.00 25.00 H new HETATM 0 HD1 NVA B 27 4.253 4.999 -21.364 1.00 25.00 H new HETATM 0 HB3 NVA B 27 4.127 7.325 -18.113 1.00 25.00 H new HETATM 0 HB2 NVA B 27 5.765 6.945 -18.609 1.00 25.00 H new HETATM 0 HA NVA B 27 4.435 5.034 -16.670 1.00 25.00 H new ATOM 730 N PRO B 28 6.656 3.899 -16.185 1.00 25.00 N ATOM 731 CA PRO B 28 7.942 3.177 -16.132 1.00 25.00 C ATOM 732 C PRO B 28 8.302 2.519 -17.475 1.00 25.00 C ATOM 733 O PRO B 28 8.075 1.322 -17.695 1.00 25.00 O ATOM 734 CB PRO B 28 7.705 2.150 -15.028 1.00 25.00 C ATOM 735 CG PRO B 28 6.251 1.816 -15.150 1.00 25.00 C ATOM 736 CD PRO B 28 5.558 3.094 -15.598 1.00 25.00 C ATOM 0 HA PRO B 28 8.791 3.832 -15.933 1.00 25.00 H new ATOM 0 HB2 PRO B 28 8.330 1.267 -15.163 1.00 25.00 H new ATOM 0 HB3 PRO B 28 7.939 2.559 -14.045 1.00 25.00 H new ATOM 0 HG2 PRO B 28 6.095 1.015 -15.872 1.00 25.00 H new ATOM 0 HG3 PRO B 28 5.850 1.469 -14.198 1.00 25.00 H new ATOM 0 HD2 PRO B 28 4.775 2.891 -16.329 1.00 25.00 H new ATOM 0 HD3 PRO B 28 5.087 3.609 -14.761 1.00 25.00 H new HETATM 744 N HIX B 29 8.837 3.345 -18.392 1.00 25.00 N HETATM 745 CA HIX B 29 9.201 2.959 -19.780 1.00 25.00 C HETATM 746 C HIX B 29 10.381 2.000 -19.847 1.00 25.00 C HETATM 747 O HIX B 29 11.390 2.147 -19.185 1.00 25.00 O HETATM 748 CB HIX B 29 9.423 4.205 -20.689 1.00 25.00 C HETATM 749 CG HIX B 29 8.072 4.702 -21.127 1.00 25.00 C HETATM 750 CD2 HIX B 29 7.039 5.016 -20.283 1.00 25.00 C HETATM 751 ND1 HIX B 29 7.593 4.911 -22.397 1.00 25.00 N HETATM 752 NE1 HIX B 29 6.259 5.352 -22.462 1.00 25.00 N HETATM 753 NE2 HIX B 29 6.023 5.380 -21.083 1.00 25.00 N ATOM 760 N THR B 30 10.170 0.965 -20.698 1.00 25.00 N ATOM 761 CA THR B 30 11.078 -0.175 -21.014 1.00 25.00 C ATOM 762 C THR B 30 12.477 -0.112 -20.383 1.00 25.00 C ATOM 763 O THR B 30 13.458 0.382 -20.898 1.00 25.00 O ATOM 764 CB THR B 30 11.168 -0.336 -22.544 1.00 25.00 C ATOM 765 OG1 THR B 30 9.882 -0.040 -23.085 1.00 25.00 O ATOM 766 CG2 THR B 30 11.532 -1.772 -22.946 1.00 25.00 C ATOM 767 OXT THR B 30 12.550 -0.716 -19.239 1.00 25.00 O ATOM 0 H THR B 30 9.297 0.897 -21.222 1.00 25.00 H new ATOM 0 HA THR B 30 10.627 -1.052 -20.551 1.00 25.00 H new ATOM 0 HB THR B 30 11.943 0.332 -22.921 1.00 25.00 H new ATOM 0 HG1 THR B 30 9.908 -0.132 -24.060 1.00 25.00 H new ATOM 0 HG21 THR B 30 11.585 -1.843 -24.032 1.00 25.00 H new ATOM 0 HG22 THR B 30 12.499 -2.036 -22.517 1.00 25.00 H new ATOM 0 HG23 THR B 30 10.771 -2.458 -22.574 1.00 25.00 H new TER 776 THR B 30