USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 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 46 23F H2 : B 46 23F N : B 45 PHE C :(H bumps) USER MOD NoAdj-H: B 46 23F H : B 46 23F N : B 45 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.0161 USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= 0.00869 F(o=-0.86,f=0.025) USER MOD Set 2.1: A 5 GLN : amide:sc= -5.4! C(o=-5.4!,f=-5.8!) 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 175:sc= -0.52 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0609 F(o=-0.57,f=-0.061) USER MOD Single : A 21 ASN : amide:sc= -1.94! C(o=-1.9!,f=-4!) USER MOD Single : B 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : B 26 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 30:sc= -0.24 USER MOD Single : B 48 THR OG1 : rot -44:sc= 0.0183! USER MOD Single : B 49 LYS NZ :NH3+ -159:sc=-0.00522 (180deg=-0.276) USER MOD Single : B 51 THR OG1 : rot 29:sc= 0.0595 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.051 20.002 -13.561 1.00 0.00 N ATOM 2 CA GLY A 1 -0.122 19.110 -12.319 1.00 0.00 C ATOM 3 C GLY A 1 1.014 18.203 -11.996 1.00 0.00 C ATOM 4 O GLY A 1 1.739 17.766 -12.867 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.922 20.566 -13.634 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.768 20.638 -13.485 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.049 19.409 -14.409 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.273 19.762 -11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.015 18.492 -12.412 1.00 0.00 H new ATOM 10 N ILE A 2 1.201 17.897 -10.742 1.00 0.00 N ATOM 11 CA ILE A 2 2.322 16.997 -10.351 1.00 0.00 C ATOM 12 C ILE A 2 2.183 15.653 -11.078 1.00 0.00 C ATOM 13 O ILE A 2 3.154 14.992 -11.368 1.00 0.00 O ATOM 14 CB ILE A 2 2.293 16.787 -8.826 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.384 15.774 -8.412 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.905 16.290 -8.384 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.386 15.589 -6.901 1.00 0.00 C ATOM 0 H ILE A 2 0.625 18.232 -9.970 1.00 0.00 H new ATOM 0 HA ILE A 2 3.274 17.448 -10.632 1.00 0.00 H new ATOM 0 HB ILE A 2 2.493 17.739 -8.334 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.206 14.817 -8.902 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.361 16.125 -8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.897 16.145 -7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.151 17.028 -8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.683 15.344 -8.878 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.159 14.873 -6.623 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.586 16.545 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.414 15.216 -6.579 1.00 0.00 H new ATOM 29 N VAL A 3 0.986 15.239 -11.366 1.00 0.00 N ATOM 30 CA VAL A 3 0.793 13.933 -12.053 1.00 0.00 C ATOM 31 C VAL A 3 1.500 13.922 -13.416 1.00 0.00 C ATOM 32 O VAL A 3 2.220 13.003 -13.739 1.00 0.00 O ATOM 33 CB VAL A 3 -0.706 13.702 -12.236 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.944 12.389 -12.978 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.367 13.632 -10.858 1.00 0.00 C ATOM 0 H VAL A 3 0.128 15.749 -11.155 1.00 0.00 H new ATOM 0 HA VAL A 3 1.226 13.136 -11.448 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.133 14.520 -12.816 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.015 12.232 -13.104 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.466 12.432 -13.956 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.521 11.565 -12.404 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.438 13.467 -10.976 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.934 12.810 -10.288 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.201 14.569 -10.327 1.00 0.00 H new ATOM 45 N GLU A 4 1.293 14.918 -14.224 1.00 0.00 N ATOM 46 CA GLU A 4 1.946 14.932 -15.569 1.00 0.00 C ATOM 47 C GLU A 4 3.456 14.702 -15.454 1.00 0.00 C ATOM 48 O GLU A 4 3.993 13.759 -15.994 1.00 0.00 O ATOM 49 CB GLU A 4 1.707 16.295 -16.231 1.00 0.00 C ATOM 50 CG GLU A 4 2.555 16.423 -17.513 1.00 0.00 C ATOM 51 CD GLU A 4 1.907 17.430 -18.469 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.100 18.220 -18.009 1.00 0.00 O ATOM 53 OE2 GLU A 4 2.231 17.393 -19.645 1.00 0.00 O ATOM 0 H GLU A 4 0.703 15.724 -14.018 1.00 0.00 H new ATOM 0 HA GLU A 4 1.513 14.130 -16.167 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.650 16.409 -16.473 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.963 17.095 -15.536 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.565 16.746 -17.261 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.643 15.452 -17.999 1.00 0.00 H new ATOM 60 N GLN A 5 4.153 15.579 -14.800 1.00 0.00 N ATOM 61 CA GLN A 5 5.630 15.427 -14.716 1.00 0.00 C ATOM 62 C GLN A 5 6.032 14.125 -14.008 1.00 0.00 C ATOM 63 O GLN A 5 7.000 13.494 -14.375 1.00 0.00 O ATOM 64 CB GLN A 5 6.225 16.616 -13.954 1.00 0.00 C ATOM 65 CG GLN A 5 5.834 17.931 -14.645 1.00 0.00 C ATOM 66 CD GLN A 5 4.424 18.342 -14.218 0.50 0.00 C ATOM 67 OE1 GLN A 5 3.609 18.714 -15.039 0.50 0.00 O ATOM 68 NE2 GLN A 5 4.103 18.288 -12.958 0.50 0.00 N ATOM 0 H GLN A 5 3.769 16.393 -14.320 1.00 0.00 H new ATOM 0 HA GLN A 5 6.017 15.393 -15.734 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.866 16.616 -12.925 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.310 16.526 -13.913 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.546 18.715 -14.385 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.875 17.810 -15.727 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.788 17.976 -12.270 0.50 0.00 H new ATOM 0 HE22 GLN A 5 3.166 18.558 -12.658 0.50 0.00 H new ATOM 77 N CYS A 6 5.334 13.745 -12.973 1.00 0.00 N ATOM 78 CA CYS A 6 5.711 12.507 -12.212 1.00 0.00 C ATOM 79 C CYS A 6 5.089 11.242 -12.821 1.00 0.00 C ATOM 80 O CYS A 6 5.742 10.227 -12.960 1.00 0.00 O ATOM 81 CB CYS A 6 5.230 12.679 -10.773 1.00 0.00 C ATOM 82 SG CYS A 6 5.495 14.396 -10.293 1.00 0.00 S ATOM 0 H CYS A 6 4.515 14.237 -12.616 1.00 0.00 H new ATOM 0 HA CYS A 6 6.793 12.381 -12.255 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.174 12.420 -10.691 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.775 12.010 -10.107 1.00 0.00 H new ATOM 87 N CYS A 7 3.827 11.270 -13.142 1.00 0.00 N ATOM 88 CA CYS A 7 3.177 10.045 -13.700 1.00 0.00 C ATOM 89 C CYS A 7 3.434 9.927 -15.208 1.00 0.00 C ATOM 90 O CYS A 7 3.900 8.909 -15.681 1.00 0.00 O ATOM 91 CB CYS A 7 1.675 10.112 -13.430 1.00 0.00 C ATOM 92 SG CYS A 7 0.907 8.538 -13.886 1.00 0.00 S ATOM 0 H CYS A 7 3.217 12.082 -13.044 1.00 0.00 H new ATOM 0 HA CYS A 7 3.603 9.166 -13.216 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.494 10.325 -12.377 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.228 10.926 -14.002 1.00 0.00 H new ATOM 97 N THR A 8 3.140 10.945 -15.971 1.00 0.00 N ATOM 98 CA THR A 8 3.381 10.854 -17.443 1.00 0.00 C ATOM 99 C THR A 8 4.889 10.864 -17.700 1.00 0.00 C ATOM 100 O THR A 8 5.375 10.306 -18.663 1.00 0.00 O ATOM 101 CB THR A 8 2.720 12.044 -18.149 1.00 0.00 C ATOM 102 OG1 THR A 8 1.442 12.279 -17.577 1.00 0.00 O ATOM 103 CG2 THR A 8 2.560 11.738 -19.636 1.00 0.00 C ATOM 0 H THR A 8 2.747 11.828 -15.645 1.00 0.00 H new ATOM 0 HA THR A 8 2.951 9.932 -17.833 1.00 0.00 H new ATOM 0 HB THR A 8 3.346 12.928 -18.028 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.052 13.088 -17.969 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.090 12.586 -20.134 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.540 11.556 -20.077 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.936 10.853 -19.760 1.00 0.00 H new ATOM 111 N SER A 9 5.627 11.492 -16.827 1.00 0.00 N ATOM 112 CA SER A 9 7.113 11.554 -16.970 1.00 0.00 C ATOM 113 C SER A 9 7.721 11.289 -15.597 1.00 0.00 C ATOM 114 O SER A 9 7.014 11.182 -14.621 1.00 0.00 O ATOM 115 CB SER A 9 7.523 12.944 -17.448 1.00 0.00 C ATOM 116 OG SER A 9 7.049 13.146 -18.773 1.00 0.00 O ATOM 0 H SER A 9 5.259 11.973 -16.006 1.00 0.00 H new ATOM 0 HA SER A 9 7.460 10.817 -17.694 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.113 13.705 -16.783 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.608 13.046 -17.419 1.00 0.00 H new ATOM 0 HG SER A 9 7.310 14.039 -19.081 1.00 0.00 H new ATOM 122 N ILE A 10 9.016 11.181 -15.493 1.00 0.00 N ATOM 123 CA ILE A 10 9.619 10.927 -14.149 1.00 0.00 C ATOM 124 C ILE A 10 9.853 12.265 -13.444 1.00 0.00 C ATOM 125 O ILE A 10 10.397 13.193 -14.007 1.00 0.00 O ATOM 126 CB ILE A 10 10.943 10.164 -14.297 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.688 8.876 -15.113 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.487 9.809 -12.901 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.806 7.850 -14.883 1.00 0.00 C ATOM 0 H ILE A 10 9.677 11.256 -16.266 1.00 0.00 H new ATOM 0 HA ILE A 10 8.938 10.318 -13.554 1.00 0.00 H new ATOM 0 HB ILE A 10 11.677 10.781 -14.815 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.729 8.444 -14.828 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.625 9.119 -16.174 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.427 9.267 -13.004 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.656 10.724 -12.333 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.764 9.184 -12.377 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.603 6.953 -15.468 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.760 8.276 -15.192 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.850 7.591 -13.825 1.00 0.00 H new ATOM 141 N CYS A 11 9.433 12.367 -12.210 1.00 0.00 N ATOM 142 CA CYS A 11 9.610 13.637 -11.444 1.00 0.00 C ATOM 143 C CYS A 11 10.879 13.563 -10.601 1.00 0.00 C ATOM 144 O CYS A 11 11.648 12.625 -10.669 1.00 0.00 O ATOM 145 CB CYS A 11 8.407 13.835 -10.502 1.00 0.00 C ATOM 146 SG CYS A 11 7.175 14.897 -11.281 1.00 0.00 S ATOM 0 H CYS A 11 8.971 11.618 -11.695 1.00 0.00 H new ATOM 0 HA CYS A 11 9.683 14.468 -12.146 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.964 12.869 -10.258 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.740 14.279 -9.564 1.00 0.00 H new ATOM 151 N SER A 12 11.067 14.555 -9.780 1.00 0.00 N ATOM 152 CA SER A 12 12.238 14.600 -8.875 1.00 0.00 C ATOM 153 C SER A 12 11.745 15.071 -7.507 1.00 0.00 C ATOM 154 O SER A 12 10.747 15.749 -7.389 1.00 0.00 O ATOM 155 CB SER A 12 13.291 15.574 -9.441 1.00 0.00 C ATOM 156 OG SER A 12 12.936 15.915 -10.775 1.00 0.00 O ATOM 0 H SER A 12 10.440 15.355 -9.699 1.00 0.00 H new ATOM 0 HA SER A 12 12.703 13.618 -8.785 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.344 16.471 -8.824 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.279 15.114 -9.420 1.00 0.00 H new ATOM 0 HG SER A 12 13.600 16.536 -11.142 1.00 0.00 H new ATOM 162 N LEU A 13 12.445 14.719 -6.482 1.00 0.00 N ATOM 163 CA LEU A 13 12.058 15.138 -5.110 1.00 0.00 C ATOM 164 C LEU A 13 11.671 16.610 -5.121 1.00 0.00 C ATOM 165 O LEU A 13 10.568 16.992 -4.798 1.00 0.00 O ATOM 166 CB LEU A 13 13.287 14.957 -4.223 1.00 0.00 C ATOM 167 CG LEU A 13 13.086 15.637 -2.867 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.734 15.229 -2.285 1.00 0.00 C ATOM 169 CD2 LEU A 13 14.194 15.195 -1.923 1.00 0.00 C ATOM 0 H LEU A 13 13.288 14.147 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 13 11.215 14.550 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.481 13.895 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.163 15.376 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 13 13.113 16.719 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.592 15.714 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.938 15.534 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.705 14.147 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.059 15.675 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.157 14.113 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.161 15.481 -2.338 1.00 0.00 H new ATOM 181 N TYR A 14 12.601 17.417 -5.495 1.00 0.00 N ATOM 182 CA TYR A 14 12.375 18.889 -5.556 1.00 0.00 C ATOM 183 C TYR A 14 11.049 19.156 -6.248 1.00 0.00 C ATOM 184 O TYR A 14 10.239 19.937 -5.790 1.00 0.00 O ATOM 185 CB TYR A 14 13.525 19.522 -6.332 1.00 0.00 C ATOM 186 CG TYR A 14 14.791 18.775 -5.990 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.357 18.886 -4.714 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.383 17.960 -6.945 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.524 18.178 -4.404 1.00 0.00 C ATOM 190 CE2 TYR A 14 16.546 17.252 -6.644 1.00 0.00 C ATOM 191 CZ TYR A 14 17.120 17.359 -5.371 1.00 0.00 C ATOM 192 OH TYR A 14 18.271 16.659 -5.071 1.00 0.00 O ATOM 0 H TYR A 14 13.537 17.121 -5.771 1.00 0.00 H new ATOM 0 HA TYR A 14 12.339 19.319 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.333 19.474 -7.404 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.624 20.576 -6.073 1.00 0.00 H new ATOM 0 HD1 TYR A 14 14.894 19.517 -3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.941 17.874 -7.926 1.00 0.00 H new ATOM 0 HE1 TYR A 14 16.964 18.263 -3.421 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.004 16.622 -7.392 1.00 0.00 H new ATOM 0 HH TYR A 14 18.551 16.139 -5.853 1.00 0.00 H new ATOM 202 N GLN A 15 10.808 18.484 -7.330 1.00 0.00 N ATOM 203 CA GLN A 15 9.513 18.674 -8.024 1.00 0.00 C ATOM 204 C GLN A 15 8.421 18.180 -7.088 1.00 0.00 C ATOM 205 O GLN A 15 7.339 18.717 -7.051 1.00 0.00 O ATOM 206 CB GLN A 15 9.487 17.885 -9.336 1.00 0.00 C ATOM 207 CG GLN A 15 10.383 18.572 -10.367 1.00 0.00 C ATOM 208 CD GLN A 15 10.125 17.962 -11.732 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.904 17.896 -12.157 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 11.038 17.544 -12.416 1.00 0.00 N flip ATOM 0 H GLN A 15 11.446 17.816 -7.762 1.00 0.00 H new ATOM 0 HA GLN A 15 9.362 19.725 -8.270 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.829 16.864 -9.165 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.466 17.820 -9.713 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.179 19.643 -10.389 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.431 18.453 -10.094 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.998 17.599 -12.075 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.845 17.138 -13.331 1.00 0.00 H new ATOM 219 N LEU A 16 8.706 17.181 -6.295 1.00 0.00 N ATOM 220 CA LEU A 16 7.666 16.697 -5.343 1.00 0.00 C ATOM 221 C LEU A 16 7.537 17.716 -4.221 1.00 0.00 C ATOM 222 O LEU A 16 6.473 17.943 -3.681 1.00 0.00 O ATOM 223 CB LEU A 16 8.062 15.329 -4.747 1.00 0.00 C ATOM 224 CG LEU A 16 7.254 14.197 -5.388 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.648 14.058 -6.851 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.538 12.886 -4.649 1.00 0.00 C ATOM 0 H LEU A 16 9.598 16.687 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 16 6.720 16.579 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.127 15.155 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.895 15.335 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 16 6.190 14.425 -5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.073 13.252 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.442 14.992 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.712 13.830 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.963 12.080 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.601 12.655 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.252 12.989 -3.602 1.00 0.00 H new ATOM 238 N GLU A 17 8.626 18.313 -3.858 1.00 0.00 N ATOM 239 CA GLU A 17 8.600 19.294 -2.766 1.00 0.00 C ATOM 240 C GLU A 17 7.761 20.498 -3.155 1.00 0.00 C ATOM 241 O GLU A 17 7.060 21.084 -2.354 1.00 0.00 O ATOM 242 CB GLU A 17 10.015 19.769 -2.499 1.00 0.00 C ATOM 243 CG GLU A 17 10.907 18.601 -2.038 1.00 0.00 C ATOM 244 CD GLU A 17 12.042 19.125 -1.152 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.579 20.173 -1.469 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.354 18.467 -0.173 1.00 0.00 O ATOM 0 H GLU A 17 9.542 18.158 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 17 8.172 18.823 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.430 20.215 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.004 20.547 -1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.311 17.873 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.320 18.084 -2.904 1.00 0.00 H new ATOM 253 N ASN A 18 7.858 20.873 -4.381 1.00 0.00 N ATOM 254 CA ASN A 18 7.107 22.055 -4.882 1.00 0.00 C ATOM 255 C ASN A 18 5.642 21.962 -4.462 1.00 0.00 C ATOM 256 O ASN A 18 4.987 22.949 -4.191 1.00 0.00 O ATOM 257 CB ASN A 18 7.188 22.047 -6.421 1.00 0.00 C ATOM 258 CG ASN A 18 8.263 23.023 -6.914 1.00 0.00 C ATOM 259 OD1 ASN A 18 9.228 22.579 -7.673 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 8.223 24.197 -6.605 1.00 0.00 N flip ATOM 0 H ASN A 18 8.436 20.407 -5.080 1.00 0.00 H new ATOM 0 HA ASN A 18 7.534 22.970 -4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.415 21.041 -6.773 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.221 22.321 -6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.469 24.543 -6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.944 24.837 -6.939 1.00 0.00 H new ATOM 267 N TYR A 19 5.123 20.784 -4.475 1.00 0.00 N ATOM 268 CA TYR A 19 3.685 20.578 -4.156 1.00 0.00 C ATOM 269 C TYR A 19 3.433 20.393 -2.659 1.00 0.00 C ATOM 270 O TYR A 19 2.315 20.164 -2.256 1.00 0.00 O ATOM 271 CB TYR A 19 3.227 19.342 -4.912 1.00 0.00 C ATOM 272 CG TYR A 19 3.690 19.462 -6.347 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.210 20.497 -7.146 1.00 0.00 C ATOM 274 CD2 TYR A 19 4.604 18.550 -6.870 1.00 0.00 C ATOM 275 CE1 TYR A 19 3.642 20.626 -8.471 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.042 18.672 -8.197 1.00 0.00 C ATOM 277 CZ TYR A 19 4.561 19.713 -8.997 1.00 0.00 C ATOM 278 OH TYR A 19 4.988 19.837 -10.303 1.00 0.00 O ATOM 0 H TYR A 19 5.637 19.932 -4.697 1.00 0.00 H new ATOM 0 HA TYR A 19 3.127 21.466 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.639 18.443 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.142 19.252 -4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.501 21.204 -6.741 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.977 17.747 -6.252 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.266 21.430 -9.086 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.750 17.963 -8.600 1.00 0.00 H new ATOM 0 HH TYR A 19 5.626 19.122 -10.508 1.00 0.00 H new ATOM 288 N CYS A 20 4.419 20.481 -1.815 1.00 0.00 N ATOM 289 CA CYS A 20 4.114 20.303 -0.370 1.00 0.00 C ATOM 290 C CYS A 20 3.414 21.544 0.170 1.00 0.00 C ATOM 291 O CYS A 20 3.986 22.331 0.898 1.00 0.00 O ATOM 292 CB CYS A 20 5.377 20.085 0.419 1.00 0.00 C ATOM 293 SG CYS A 20 6.265 18.675 -0.257 1.00 0.00 S ATOM 0 H CYS A 20 5.395 20.663 -2.051 1.00 0.00 H new ATOM 0 HA CYS A 20 3.468 19.431 -0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.003 20.977 0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.138 19.910 1.468 1.00 0.00 H new ATOM 298 N ASN A 21 2.178 21.711 -0.172 1.00 0.00 N ATOM 299 CA ASN A 21 1.413 22.886 0.322 1.00 0.00 C ATOM 300 C ASN A 21 2.199 24.167 0.036 1.00 0.00 C ATOM 301 O ASN A 21 1.761 25.218 0.474 1.00 0.00 O ATOM 302 CB ASN A 21 1.192 22.739 1.828 1.00 0.00 C ATOM 303 CG ASN A 21 0.442 23.961 2.361 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.231 24.648 1.618 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.527 24.261 3.628 1.00 0.00 N ATOM 306 OXT ASN A 21 3.226 24.075 -0.616 1.00 0.00 O ATOM 0 H ASN A 21 1.655 21.080 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 21 0.450 22.940 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.623 21.832 2.035 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.150 22.638 2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.029 25.072 3.995 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.092 23.685 4.252 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 16.727 10.402 -3.805 1.00 0.00 N ATOM 315 CA PHE B 22 15.297 10.026 -3.989 1.00 0.00 C ATOM 316 C PHE B 22 15.207 8.873 -4.996 1.00 0.00 C ATOM 317 O PHE B 22 15.935 7.905 -4.905 1.00 0.00 O ATOM 318 CB PHE B 22 14.515 11.250 -4.498 1.00 0.00 C ATOM 319 CG PHE B 22 13.050 11.129 -4.123 1.00 0.00 C ATOM 320 CD1 PHE B 22 12.669 11.215 -2.779 1.00 0.00 C ATOM 321 CD2 PHE B 22 12.077 10.927 -5.113 1.00 0.00 C ATOM 322 CE1 PHE B 22 11.321 11.099 -2.423 1.00 0.00 C ATOM 323 CE2 PHE B 22 10.727 10.812 -4.755 1.00 0.00 C ATOM 324 CZ PHE B 22 10.348 10.897 -3.409 1.00 0.00 C ATOM 0 HA PHE B 22 14.866 9.702 -3.042 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.933 12.161 -4.071 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.615 11.330 -5.580 1.00 0.00 H new ATOM 0 HD1 PHE B 22 13.417 11.371 -2.016 1.00 0.00 H new ATOM 0 HD2 PHE B 22 12.368 10.860 -6.151 1.00 0.00 H new ATOM 0 HE1 PHE B 22 11.030 11.165 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.978 10.658 -5.518 1.00 0.00 H new ATOM 0 HZ PHE B 22 9.308 10.807 -3.133 1.00 0.00 H new ATOM 336 N VAL B 23 14.320 8.961 -5.952 1.00 0.00 N ATOM 337 CA VAL B 23 14.187 7.863 -6.955 1.00 0.00 C ATOM 338 C VAL B 23 13.739 8.438 -8.301 1.00 0.00 C ATOM 339 O VAL B 23 13.294 9.564 -8.393 1.00 0.00 O ATOM 340 CB VAL B 23 13.150 6.862 -6.456 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.877 7.616 -6.101 1.00 0.00 C ATOM 342 CG2 VAL B 23 12.849 5.826 -7.546 1.00 0.00 C ATOM 0 H VAL B 23 13.682 9.746 -6.082 1.00 0.00 H new ATOM 0 HA VAL B 23 15.149 7.368 -7.085 1.00 0.00 H new ATOM 0 HB VAL B 23 13.535 6.343 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL B 23 11.126 6.913 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL B 23 12.092 8.346 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL B 23 11.500 8.130 -6.985 1.00 0.00 H new ATOM 0 HG21 VAL B 23 12.107 5.116 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL B 23 12.461 6.331 -8.431 1.00 0.00 H new ATOM 0 HG23 VAL B 23 13.764 5.293 -7.804 1.00 0.00 H new ATOM 352 N ASN B 24 13.849 7.654 -9.342 1.00 0.00 N ATOM 353 CA ASN B 24 13.432 8.103 -10.705 1.00 0.00 C ATOM 354 C ASN B 24 12.393 7.114 -11.239 1.00 0.00 C ATOM 355 O ASN B 24 12.671 6.325 -12.119 1.00 0.00 O ATOM 356 CB ASN B 24 14.659 8.109 -11.625 1.00 0.00 C ATOM 357 CG ASN B 24 15.466 9.390 -11.400 1.00 0.00 C ATOM 358 OD1 ASN B 24 16.224 9.487 -10.455 1.00 0.00 O ATOM 359 ND2 ASN B 24 15.336 10.384 -12.236 1.00 0.00 N ATOM 0 H ASN B 24 14.217 6.704 -9.304 1.00 0.00 H new ATOM 0 HA ASN B 24 13.006 9.106 -10.666 1.00 0.00 H new ATOM 0 HB2 ASN B 24 15.280 7.236 -11.424 1.00 0.00 H new ATOM 0 HB3 ASN B 24 14.345 8.044 -12.667 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.870 11.241 -12.096 1.00 0.00 H new ATOM 0 HD22 ASN B 24 14.700 10.303 -13.029 1.00 0.00 H new ATOM 366 N GLN B 25 11.203 7.139 -10.688 1.00 0.00 N ATOM 367 CA GLN B 25 10.129 6.192 -11.125 1.00 0.00 C ATOM 368 C GLN B 25 8.919 6.974 -11.648 1.00 0.00 C ATOM 369 O GLN B 25 8.816 8.174 -11.490 1.00 0.00 O ATOM 370 CB GLN B 25 9.697 5.354 -9.902 1.00 0.00 C ATOM 371 CG GLN B 25 10.533 4.071 -9.814 1.00 0.00 C ATOM 372 CD GLN B 25 10.030 3.215 -8.650 1.00 0.00 C ATOM 373 OE1 GLN B 25 9.127 3.699 -7.843 1.00 0.00 O flip ATOM 374 NE2 GLN B 25 10.464 2.093 -8.475 1.00 0.00 N flip ATOM 0 H GLN B 25 10.927 7.782 -9.946 1.00 0.00 H new ATOM 0 HA GLN B 25 10.506 5.549 -11.921 1.00 0.00 H new ATOM 0 HB2 GLN B 25 9.819 5.939 -8.990 1.00 0.00 H new ATOM 0 HB3 GLN B 25 8.639 5.102 -9.980 1.00 0.00 H new ATOM 0 HG2 GLN B 25 10.462 3.513 -10.748 1.00 0.00 H new ATOM 0 HG3 GLN B 25 11.585 4.318 -9.670 1.00 0.00 H new ATOM 0 HE21 GLN B 25 11.170 1.715 -9.107 1.00 0.00 H new ATOM 0 HE22 GLN B 25 10.122 1.530 -7.697 1.00 0.00 H new ATOM 383 N HIS B 26 7.988 6.276 -12.244 1.00 0.00 N ATOM 384 CA HIS B 26 6.753 6.931 -12.758 1.00 0.00 C ATOM 385 C HIS B 26 5.716 6.887 -11.637 1.00 0.00 C ATOM 386 O HIS B 26 4.991 5.924 -11.483 1.00 0.00 O ATOM 387 CB HIS B 26 6.233 6.159 -13.983 1.00 0.00 C ATOM 388 CG HIS B 26 6.911 6.658 -15.232 1.00 0.00 C ATOM 389 ND1 HIS B 26 6.328 7.610 -16.057 1.00 0.00 N ATOM 390 CD2 HIS B 26 8.119 6.349 -15.810 1.00 0.00 C ATOM 391 CE1 HIS B 26 7.175 7.838 -17.076 1.00 0.00 C ATOM 392 NE2 HIS B 26 8.278 7.096 -16.970 1.00 0.00 N ATOM 0 H HIS B 26 8.033 5.269 -12.397 1.00 0.00 H new ATOM 0 HA HIS B 26 6.952 7.960 -13.058 1.00 0.00 H new ATOM 0 HB2 HIS B 26 6.422 5.093 -13.858 1.00 0.00 H new ATOM 0 HB3 HIS B 26 5.154 6.284 -14.071 1.00 0.00 H new ATOM 0 HD1 HIS B 26 5.421 8.056 -15.916 1.00 0.00 H new ATOM 0 HD2 HIS B 26 8.833 5.637 -15.423 1.00 0.00 H new ATOM 0 HE1 HIS B 26 6.986 8.535 -17.879 1.00 0.00 H new ATOM 400 N LEU B 27 5.664 7.908 -10.833 1.00 0.00 N ATOM 401 CA LEU B 27 4.705 7.916 -9.696 1.00 0.00 C ATOM 402 C LEU B 27 3.327 8.380 -10.163 1.00 0.00 C ATOM 403 O LEU B 27 3.207 9.296 -10.948 1.00 0.00 O ATOM 404 CB LEU B 27 5.195 8.873 -8.610 1.00 0.00 C ATOM 405 CG LEU B 27 6.696 8.688 -8.339 1.00 0.00 C ATOM 406 CD1 LEU B 27 7.212 9.876 -7.525 1.00 0.00 C ATOM 407 CD2 LEU B 27 6.917 7.403 -7.540 1.00 0.00 C ATOM 0 H LEU B 27 6.247 8.741 -10.914 1.00 0.00 H new ATOM 0 HA LEU B 27 4.636 6.902 -9.302 1.00 0.00 H new ATOM 0 HB2 LEU B 27 5.002 9.902 -8.915 1.00 0.00 H new ATOM 0 HB3 LEU B 27 4.634 8.702 -7.691 1.00 0.00 H new ATOM 0 HG LEU B 27 7.230 8.627 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU B 27 8.277 9.749 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU B 27 7.053 10.797 -8.085 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.674 9.930 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.982 7.272 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU B 27 6.383 7.468 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU B 27 6.544 6.552 -8.109 1.00 0.00 H new ATOM 419 N CYS B 28 2.279 7.773 -9.665 1.00 0.00 N ATOM 420 CA CYS B 28 0.907 8.199 -10.070 1.00 0.00 C ATOM 421 C CYS B 28 -0.036 8.120 -8.873 1.00 0.00 C ATOM 422 O CYS B 28 -0.197 7.085 -8.257 1.00 0.00 O ATOM 423 CB CYS B 28 0.397 7.282 -11.183 1.00 0.00 C ATOM 424 SG CYS B 28 1.613 7.226 -12.522 1.00 0.00 S ATOM 0 H CYS B 28 2.315 7.003 -8.997 1.00 0.00 H new ATOM 0 HA CYS B 28 0.942 9.227 -10.430 1.00 0.00 H new ATOM 0 HB2 CYS B 28 0.224 6.279 -10.792 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -0.559 7.646 -11.560 1.00 0.00 H new ATOM 429 N GLY B 29 -0.674 9.215 -8.562 1.00 0.00 N ATOM 430 CA GLY B 29 -1.637 9.252 -7.425 1.00 0.00 C ATOM 431 C GLY B 29 -1.135 8.425 -6.238 1.00 0.00 C ATOM 432 O GLY B 29 -0.237 8.819 -5.535 1.00 0.00 O ATOM 0 H GLY B 29 -0.567 10.101 -9.057 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -1.792 10.284 -7.111 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.604 8.870 -7.753 1.00 0.00 H new ATOM 436 N SER B 30 -1.738 7.292 -5.998 1.00 0.00 N ATOM 437 CA SER B 30 -1.333 6.439 -4.837 1.00 0.00 C ATOM 438 C SER B 30 0.188 6.442 -4.640 1.00 0.00 C ATOM 439 O SER B 30 0.683 6.845 -3.607 1.00 0.00 O ATOM 440 CB SER B 30 -1.808 5.006 -5.074 1.00 0.00 C ATOM 441 OG SER B 30 -3.212 5.008 -5.299 1.00 0.00 O ATOM 0 H SER B 30 -2.501 6.915 -6.560 1.00 0.00 H new ATOM 0 HA SER B 30 -1.793 6.849 -3.938 1.00 0.00 H new ATOM 0 HB2 SER B 30 -1.291 4.576 -5.932 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.567 4.383 -4.212 1.00 0.00 H new ATOM 0 HG SER B 30 -3.520 4.090 -5.453 1.00 0.00 H new ATOM 447 N ASP B 31 0.933 5.990 -5.608 1.00 0.00 N ATOM 448 CA ASP B 31 2.414 5.965 -5.450 1.00 0.00 C ATOM 449 C ASP B 31 2.944 7.394 -5.307 1.00 0.00 C ATOM 450 O ASP B 31 3.806 7.669 -4.501 1.00 0.00 O ATOM 451 CB ASP B 31 3.041 5.301 -6.680 1.00 0.00 C ATOM 452 CG ASP B 31 2.183 4.110 -7.108 1.00 0.00 C ATOM 453 OD1 ASP B 31 1.496 3.564 -6.260 1.00 0.00 O ATOM 454 OD2 ASP B 31 2.226 3.763 -8.277 1.00 0.00 O ATOM 0 H ASP B 31 0.583 5.638 -6.499 1.00 0.00 H new ATOM 0 HA ASP B 31 2.676 5.399 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP B 31 3.117 6.020 -7.496 1.00 0.00 H new ATOM 0 HB3 ASP B 31 4.054 4.970 -6.451 1.00 0.00 H new ATOM 459 N LEU B 32 2.430 8.296 -6.092 1.00 0.00 N ATOM 460 CA LEU B 32 2.885 9.716 -6.035 1.00 0.00 C ATOM 461 C LEU B 32 2.443 10.345 -4.729 1.00 0.00 C ATOM 462 O LEU B 32 3.252 10.729 -3.916 1.00 0.00 O ATOM 463 CB LEU B 32 2.260 10.439 -7.227 1.00 0.00 C ATOM 464 CG LEU B 32 2.432 11.957 -7.129 1.00 0.00 C ATOM 465 CD1 LEU B 32 3.931 12.321 -6.972 1.00 0.00 C ATOM 466 CD2 LEU B 32 1.837 12.580 -8.412 1.00 0.00 C ATOM 0 H LEU B 32 1.703 8.109 -6.782 1.00 0.00 H new ATOM 0 HA LEU B 32 3.972 9.784 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.717 10.081 -8.149 1.00 0.00 H new ATOM 0 HB3 LEU B 32 1.199 10.197 -7.283 1.00 0.00 H new ATOM 0 HG LEU B 32 1.914 12.348 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU B 32 4.037 13.404 -6.904 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.324 11.860 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.487 11.956 -7.836 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.944 13.664 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.366 12.194 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.781 12.322 -8.486 1.00 0.00 H new ATOM 478 N VAL B 33 1.169 10.442 -4.518 1.00 0.00 N ATOM 479 CA VAL B 33 0.649 11.018 -3.251 1.00 0.00 C ATOM 480 C VAL B 33 1.504 10.510 -2.097 1.00 0.00 C ATOM 481 O VAL B 33 2.101 11.265 -1.357 1.00 0.00 O ATOM 482 CB VAL B 33 -0.786 10.529 -3.050 1.00 0.00 C ATOM 483 CG1 VAL B 33 -1.234 10.789 -1.600 1.00 0.00 C ATOM 484 CG2 VAL B 33 -1.697 11.256 -4.036 1.00 0.00 C ATOM 0 H VAL B 33 0.451 10.143 -5.178 1.00 0.00 H new ATOM 0 HA VAL B 33 0.677 12.107 -3.289 1.00 0.00 H new ATOM 0 HB VAL B 33 -0.842 9.456 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.257 10.437 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.575 10.256 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.188 11.858 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -2.724 10.915 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.645 12.330 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.374 11.043 -5.055 1.00 0.00 H new ATOM 494 N GLU B 34 1.582 9.221 -1.968 1.00 0.00 N ATOM 495 CA GLU B 34 2.420 8.643 -0.888 1.00 0.00 C ATOM 496 C GLU B 34 3.821 9.234 -1.031 1.00 0.00 C ATOM 497 O GLU B 34 4.464 9.587 -0.063 1.00 0.00 O ATOM 498 CB GLU B 34 2.475 7.120 -1.030 1.00 0.00 C ATOM 499 CG GLU B 34 1.127 6.522 -0.623 1.00 0.00 C ATOM 500 CD GLU B 34 1.188 4.998 -0.738 1.00 0.00 C ATOM 501 OE1 GLU B 34 1.968 4.515 -1.542 1.00 0.00 O ATOM 502 OE2 GLU B 34 0.454 4.340 -0.020 1.00 0.00 O ATOM 0 H GLU B 34 1.104 8.543 -2.561 1.00 0.00 H new ATOM 0 HA GLU B 34 2.003 8.877 0.092 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.710 6.848 -2.059 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.269 6.714 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.883 6.810 0.399 1.00 0.00 H new ATOM 0 HG3 GLU B 34 0.336 6.914 -1.262 1.00 0.00 H new ATOM 509 N ALA B 35 4.276 9.385 -2.248 1.00 0.00 N ATOM 510 CA ALA B 35 5.611 10.000 -2.469 1.00 0.00 C ATOM 511 C ALA B 35 5.572 11.400 -1.872 1.00 0.00 C ATOM 512 O ALA B 35 6.533 11.865 -1.313 1.00 0.00 O ATOM 513 CB ALA B 35 5.929 10.077 -3.978 1.00 0.00 C ATOM 0 H ALA B 35 3.779 9.108 -3.095 1.00 0.00 H new ATOM 0 HA ALA B 35 6.388 9.399 -1.997 1.00 0.00 H new ATOM 0 HB1 ALA B 35 6.910 10.530 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA B 35 5.928 9.073 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA B 35 5.174 10.683 -4.479 1.00 0.00 H new ATOM 519 N LEU B 36 4.462 12.081 -1.962 1.00 0.00 N ATOM 520 CA LEU B 36 4.413 13.434 -1.369 1.00 0.00 C ATOM 521 C LEU B 36 4.325 13.304 0.148 1.00 0.00 C ATOM 522 O LEU B 36 5.169 13.797 0.868 1.00 0.00 O ATOM 523 CB LEU B 36 3.212 14.181 -1.901 1.00 0.00 C ATOM 524 CG LEU B 36 3.457 14.560 -3.373 1.00 0.00 C ATOM 525 CD1 LEU B 36 2.110 14.920 -4.028 1.00 0.00 C ATOM 526 CD2 LEU B 36 4.464 15.746 -3.465 1.00 0.00 C ATOM 0 H LEU B 36 3.605 11.761 -2.413 1.00 0.00 H new ATOM 0 HA LEU B 36 5.312 13.990 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.319 13.562 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.035 15.078 -1.307 1.00 0.00 H new ATOM 0 HG LEU B 36 3.894 13.715 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.273 15.190 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.439 14.062 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.663 15.763 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.628 16.004 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.058 16.610 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.411 15.455 -3.010 1.00 0.00 H new ATOM 538 N TYR B 37 3.324 12.619 0.644 1.00 0.00 N ATOM 539 CA TYR B 37 3.203 12.428 2.119 1.00 0.00 C ATOM 540 C TYR B 37 4.570 12.022 2.664 1.00 0.00 C ATOM 541 O TYR B 37 4.937 12.332 3.778 1.00 0.00 O ATOM 542 CB TYR B 37 2.195 11.320 2.403 1.00 0.00 C ATOM 543 CG TYR B 37 2.079 11.153 3.892 1.00 0.00 C ATOM 544 CD1 TYR B 37 3.016 10.382 4.583 1.00 0.00 C ATOM 545 CD2 TYR B 37 1.043 11.783 4.579 1.00 0.00 C ATOM 546 CE1 TYR B 37 2.914 10.237 5.971 1.00 0.00 C ATOM 547 CE2 TYR B 37 0.938 11.643 5.965 1.00 0.00 C ATOM 548 CZ TYR B 37 1.873 10.868 6.664 1.00 0.00 C ATOM 549 OH TYR B 37 1.771 10.729 8.033 1.00 0.00 O ATOM 0 H TYR B 37 2.586 12.185 0.089 1.00 0.00 H new ATOM 0 HA TYR B 37 2.867 13.350 2.594 1.00 0.00 H new ATOM 0 HB2 TYR B 37 1.225 11.570 1.973 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.517 10.387 1.941 1.00 0.00 H new ATOM 0 HD1 TYR B 37 3.819 9.898 4.047 1.00 0.00 H new ATOM 0 HD2 TYR B 37 0.322 12.379 4.040 1.00 0.00 H new ATOM 0 HE1 TYR B 37 3.637 9.640 6.507 1.00 0.00 H new ATOM 0 HE2 TYR B 37 0.136 12.132 6.498 1.00 0.00 H new ATOM 0 HH TYR B 37 0.994 11.231 8.356 1.00 0.00 H new ATOM 559 N LEU B 38 5.329 11.347 1.856 1.00 0.00 N ATOM 560 CA LEU B 38 6.685 10.923 2.258 1.00 0.00 C ATOM 561 C LEU B 38 7.599 12.147 2.196 1.00 0.00 C ATOM 562 O LEU B 38 8.361 12.425 3.101 1.00 0.00 O ATOM 563 CB LEU B 38 7.146 9.859 1.256 1.00 0.00 C ATOM 564 CG LEU B 38 8.558 9.347 1.606 1.00 0.00 C ATOM 565 CD1 LEU B 38 8.726 7.913 1.084 1.00 0.00 C ATOM 566 CD2 LEU B 38 9.642 10.246 0.973 1.00 0.00 C ATOM 0 H LEU B 38 5.057 11.067 0.914 1.00 0.00 H new ATOM 0 HA LEU B 38 6.706 10.512 3.267 1.00 0.00 H new ATOM 0 HB2 LEU B 38 6.443 9.026 1.255 1.00 0.00 H new ATOM 0 HB3 LEU B 38 7.146 10.277 0.250 1.00 0.00 H new ATOM 0 HG LEU B 38 8.673 9.369 2.690 1.00 0.00 H new ATOM 0 HD11 LEU B 38 9.724 7.550 1.331 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.980 7.267 1.548 1.00 0.00 H new ATOM 0 HD13 LEU B 38 8.593 7.902 0.002 1.00 0.00 H new ATOM 0 HD21 LEU B 38 10.629 9.865 1.234 1.00 0.00 H new ATOM 0 HD22 LEU B 38 9.528 10.245 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU B 38 9.535 11.264 1.348 1.00 0.00 H new ATOM 578 N VAL B 39 7.513 12.877 1.121 1.00 0.00 N ATOM 579 CA VAL B 39 8.350 14.098 0.946 1.00 0.00 C ATOM 580 C VAL B 39 7.798 15.236 1.818 1.00 0.00 C ATOM 581 O VAL B 39 8.474 15.771 2.674 1.00 0.00 O ATOM 582 CB VAL B 39 8.283 14.512 -0.537 1.00 0.00 C ATOM 583 CG1 VAL B 39 8.781 15.941 -0.731 1.00 0.00 C ATOM 584 CG2 VAL B 39 9.132 13.559 -1.379 1.00 0.00 C ATOM 0 H VAL B 39 6.887 12.676 0.341 1.00 0.00 H new ATOM 0 HA VAL B 39 9.379 13.895 1.242 1.00 0.00 H new ATOM 0 HB VAL B 39 7.242 14.462 -0.857 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.723 16.207 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.161 16.624 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.815 16.015 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL B 39 9.081 13.856 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL B 39 10.167 13.598 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL B 39 8.753 12.543 -1.271 1.00 0.00 H new ATOM 594 N CYS B 40 6.584 15.625 1.562 1.00 0.00 N ATOM 595 CA CYS B 40 5.956 16.752 2.308 1.00 0.00 C ATOM 596 C CYS B 40 5.699 16.395 3.774 1.00 0.00 C ATOM 597 O CYS B 40 6.009 17.155 4.668 1.00 0.00 O ATOM 598 CB CYS B 40 4.628 17.034 1.630 1.00 0.00 C ATOM 599 SG CYS B 40 4.923 17.180 -0.145 1.00 0.00 S ATOM 0 H CYS B 40 5.986 15.202 0.852 1.00 0.00 H new ATOM 0 HA CYS B 40 6.623 17.614 2.297 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.919 16.231 1.833 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.189 17.953 2.020 1.00 0.00 H new ATOM 604 N GLY B 41 5.136 15.253 4.032 1.00 0.00 N ATOM 605 CA GLY B 41 4.862 14.865 5.444 1.00 0.00 C ATOM 606 C GLY B 41 3.845 15.819 6.081 1.00 0.00 C ATOM 607 O GLY B 41 2.706 15.898 5.665 1.00 0.00 O ATOM 0 H GLY B 41 4.853 14.570 3.329 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.481 13.844 5.478 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.789 14.879 6.017 1.00 0.00 H new ATOM 611 N GLU B 42 4.243 16.518 7.109 1.00 0.00 N ATOM 612 CA GLU B 42 3.301 17.442 7.808 1.00 0.00 C ATOM 613 C GLU B 42 2.865 18.590 6.893 1.00 0.00 C ATOM 614 O GLU B 42 1.709 18.965 6.871 1.00 0.00 O ATOM 615 CB GLU B 42 3.992 18.018 9.048 1.00 0.00 C ATOM 616 CG GLU B 42 3.089 19.069 9.701 1.00 0.00 C ATOM 617 CD GLU B 42 3.600 19.378 11.109 1.00 0.00 C ATOM 618 OE1 GLU B 42 3.548 18.492 11.945 1.00 0.00 O ATOM 619 OE2 GLU B 42 4.036 20.497 11.327 1.00 0.00 O ATOM 0 H GLU B 42 5.186 16.489 7.498 1.00 0.00 H new ATOM 0 HA GLU B 42 2.413 16.878 8.093 1.00 0.00 H new ATOM 0 HB2 GLU B 42 4.210 17.220 9.758 1.00 0.00 H new ATOM 0 HB3 GLU B 42 4.946 18.466 8.769 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.077 19.978 9.099 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.063 18.704 9.747 1.00 0.00 H new ATOM 626 N ARG B 43 3.769 19.171 6.158 1.00 0.00 N ATOM 627 CA ARG B 43 3.379 20.311 5.281 1.00 0.00 C ATOM 628 C ARG B 43 2.129 19.957 4.472 1.00 0.00 C ATOM 629 O ARG B 43 1.474 20.824 3.933 1.00 0.00 O ATOM 630 CB ARG B 43 4.519 20.652 4.312 1.00 0.00 C ATOM 631 CG ARG B 43 5.866 20.491 5.003 1.00 0.00 C ATOM 632 CD ARG B 43 6.983 21.078 4.115 1.00 0.00 C ATOM 633 NE ARG B 43 7.777 19.959 3.534 1.00 0.00 N ATOM 634 CZ ARG B 43 8.653 20.195 2.596 1.00 0.00 C ATOM 635 NH1 ARG B 43 8.856 21.417 2.186 1.00 0.00 N ATOM 636 NH2 ARG B 43 9.327 19.210 2.069 1.00 0.00 N ATOM 0 H ARG B 43 4.754 18.910 6.125 1.00 0.00 H new ATOM 0 HA ARG B 43 3.170 21.172 5.916 1.00 0.00 H new ATOM 0 HB2 ARG B 43 4.470 20.001 3.439 1.00 0.00 H new ATOM 0 HB3 ARG B 43 4.407 21.675 3.953 1.00 0.00 H new ATOM 0 HG2 ARG B 43 5.853 20.997 5.968 1.00 0.00 H new ATOM 0 HG3 ARG B 43 6.061 19.437 5.199 1.00 0.00 H new ATOM 0 HD2 ARG B 43 6.552 21.686 3.320 1.00 0.00 H new ATOM 0 HD3 ARG B 43 7.627 21.732 4.703 1.00 0.00 H new ATOM 0 HE ARG B 43 7.636 19.006 3.870 1.00 0.00 H new ATOM 0 HH11 ARG B 43 8.330 22.187 2.599 1.00 0.00 H new ATOM 0 HH12 ARG B 43 9.541 21.602 1.453 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.169 18.255 2.390 1.00 0.00 H new ATOM 0 HH22 ARG B 43 10.012 19.395 1.336 1.00 0.00 H new ATOM 650 N GLY B 44 1.803 18.699 4.348 1.00 0.00 N ATOM 651 CA GLY B 44 0.609 18.344 3.530 1.00 0.00 C ATOM 652 C GLY B 44 0.986 18.553 2.064 1.00 0.00 C ATOM 653 O GLY B 44 2.112 18.881 1.763 1.00 0.00 O ATOM 0 H GLY B 44 2.301 17.915 4.769 1.00 0.00 H new ATOM 0 HA2 GLY B 44 0.315 17.310 3.708 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -0.242 18.969 3.801 1.00 0.00 H new ATOM 657 N PHE B 45 0.088 18.370 1.139 1.00 0.00 N ATOM 658 CA PHE B 45 0.493 18.569 -0.282 1.00 0.00 C ATOM 659 C PHE B 45 -0.741 18.634 -1.206 1.00 0.00 C ATOM 660 O PHE B 45 -1.846 18.348 -0.776 1.00 0.00 O ATOM 661 CB PHE B 45 1.367 17.390 -0.686 1.00 0.00 C ATOM 662 CG PHE B 45 0.698 16.102 -0.286 1.00 0.00 C ATOM 663 CD1 PHE B 45 -0.211 15.492 -1.144 1.00 0.00 C ATOM 664 CD2 PHE B 45 1.001 15.517 0.943 1.00 0.00 C ATOM 665 CE1 PHE B 45 -0.820 14.285 -0.774 1.00 0.00 C ATOM 666 CE2 PHE B 45 0.395 14.316 1.318 1.00 0.00 C ATOM 667 CZ PHE B 45 -0.513 13.699 0.460 1.00 0.00 C ATOM 0 H PHE B 45 -0.883 18.099 1.295 1.00 0.00 H new ATOM 0 HA PHE B 45 1.034 19.511 -0.379 1.00 0.00 H new ATOM 0 HB2 PHE B 45 1.538 17.403 -1.762 1.00 0.00 H new ATOM 0 HB3 PHE B 45 2.343 17.468 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.447 15.948 -2.094 1.00 0.00 H new ATOM 0 HD2 PHE B 45 1.707 15.994 1.607 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -1.524 13.808 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE B 45 0.630 13.866 2.271 1.00 0.00 H new ATOM 0 HZ PHE B 45 -0.980 12.768 0.747 1.00 0.00 H new HETATM 677 N 23F B 46 -0.577 19.020 -2.564 1.00 0.00 N HETATM 678 CA 23F B 46 -1.676 19.083 -3.450 1.00 0.00 C HETATM 679 C 23F B 46 -2.378 17.808 -3.830 1.00 0.00 C HETATM 680 CB 23F B 46 -2.118 20.296 -3.999 1.00 0.00 C HETATM 681 CG 23F B 46 -1.475 21.654 -3.803 1.00 0.00 C HETATM 682 CD1 23F B 46 -0.225 21.906 -3.040 1.00 0.00 C HETATM 683 CD2 23F B 46 -2.116 22.795 -4.479 1.00 0.00 C HETATM 684 CE1 23F B 46 0.331 23.236 -2.985 1.00 0.00 C HETATM 685 CE2 23F B 46 -1.550 24.092 -4.407 1.00 0.00 C HETATM 686 CZ 23F B 46 -0.328 24.329 -3.667 1.00 0.00 C HETATM 687 O 23F B 46 -2.012 17.188 -4.810 1.00 0.00 O HETATM 0 HZ 23F B 46 0.096 25.332 -3.624 1.00 0.00 H new HETATM 0 HE2 23F B 46 -2.041 24.922 -4.915 1.00 0.00 H new HETATM 0 HE1 23F B 46 1.250 23.418 -2.428 1.00 0.00 H new HETATM 0 HD2 23F B 46 -3.037 22.640 -5.041 1.00 0.00 H new HETATM 0 HD1 23F B 46 0.272 21.086 -2.522 1.00 0.00 H new HETATM 0 HB 23F B 46 -3.009 20.258 -4.626 1.00 0.00 H new ATOM 695 N TYR B 47 -3.465 17.342 -3.079 1.00 0.00 N ATOM 696 CA TYR B 47 -4.193 16.078 -3.464 1.00 0.00 C ATOM 697 C TYR B 47 -5.330 15.852 -2.455 1.00 0.00 C ATOM 698 O TYR B 47 -5.108 15.392 -1.352 1.00 0.00 O ATOM 699 CB TYR B 47 -3.229 14.847 -3.458 1.00 0.00 C ATOM 700 CG TYR B 47 -3.126 14.222 -4.840 1.00 0.00 C ATOM 701 CD1 TYR B 47 -4.263 13.658 -5.431 1.00 0.00 C ATOM 702 CD2 TYR B 47 -1.893 14.182 -5.518 1.00 0.00 C ATOM 703 CE1 TYR B 47 -4.175 13.063 -6.695 1.00 0.00 C ATOM 704 CE2 TYR B 47 -1.809 13.582 -6.779 1.00 0.00 C ATOM 705 CZ TYR B 47 -2.949 13.024 -7.368 1.00 0.00 C ATOM 706 OH TYR B 47 -2.864 12.432 -8.611 1.00 0.00 O ATOM 0 H TYR B 47 -3.830 17.807 -2.248 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.589 16.184 -4.474 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.240 15.158 -3.122 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.588 14.104 -2.746 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.209 13.682 -4.911 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.013 14.614 -5.065 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.055 12.633 -7.151 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.863 13.549 -7.299 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.722 12.524 -9.076 1.00 0.00 H new ATOM 716 N THR B 48 -6.543 16.170 -2.820 1.00 0.00 N ATOM 717 CA THR B 48 -7.678 15.967 -1.874 1.00 0.00 C ATOM 718 C THR B 48 -9.005 16.085 -2.628 1.00 0.00 C ATOM 719 O THR B 48 -9.793 15.161 -2.667 1.00 0.00 O ATOM 720 CB THR B 48 -7.615 17.029 -0.767 1.00 0.00 C ATOM 721 OG1 THR B 48 -6.262 17.216 -0.374 1.00 0.00 O ATOM 722 CG2 THR B 48 -8.437 16.572 0.443 1.00 0.00 C ATOM 0 H THR B 48 -6.796 16.560 -3.728 1.00 0.00 H new ATOM 0 HA THR B 48 -7.607 14.975 -1.429 1.00 0.00 H new ATOM 0 HB THR B 48 -8.024 17.966 -1.144 1.00 0.00 H new ATOM 0 HG1 THR B 48 -5.824 16.344 -0.284 1.00 0.00 H new ATOM 0 HG21 THR B 48 -8.387 17.331 1.224 1.00 0.00 H new ATOM 0 HG22 THR B 48 -9.475 16.427 0.144 1.00 0.00 H new ATOM 0 HG23 THR B 48 -8.034 15.633 0.823 1.00 0.00 H new ATOM 730 N LYS B 49 -9.258 17.217 -3.227 1.00 0.00 N ATOM 731 CA LYS B 49 -10.534 17.406 -3.982 1.00 0.00 C ATOM 732 C LYS B 49 -10.285 18.316 -5.192 1.00 0.00 C ATOM 733 O LYS B 49 -10.699 19.459 -5.194 1.00 0.00 O ATOM 734 CB LYS B 49 -11.567 18.065 -3.076 1.00 0.00 C ATOM 735 CG LYS B 49 -11.564 17.382 -1.707 1.00 0.00 C ATOM 736 CD LYS B 49 -12.703 17.941 -0.851 1.00 0.00 C ATOM 737 CE LYS B 49 -12.937 17.024 0.351 1.00 0.00 C ATOM 738 NZ LYS B 49 -13.626 15.781 -0.099 1.00 0.00 N ATOM 0 H LYS B 49 -8.634 18.024 -3.227 1.00 0.00 H new ATOM 0 HA LYS B 49 -10.899 16.435 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -11.343 19.126 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.557 17.994 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.681 16.305 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.608 17.546 -1.210 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.457 18.947 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -13.614 18.019 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -11.986 16.775 0.823 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -13.540 17.536 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -14.097 15.332 0.712 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -14.334 16.019 -0.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -12.928 15.123 -0.501 1.00 0.00 H new ATOM 752 N PRO B 50 -9.605 17.797 -6.182 1.00 0.00 N ATOM 753 CA PRO B 50 -9.288 18.569 -7.387 1.00 0.00 C ATOM 754 C PRO B 50 -10.570 19.115 -8.030 1.00 0.00 C ATOM 755 O PRO B 50 -10.800 20.307 -8.067 1.00 0.00 O ATOM 756 CB PRO B 50 -8.560 17.569 -8.307 1.00 0.00 C ATOM 757 CG PRO B 50 -8.195 16.349 -7.430 1.00 0.00 C ATOM 758 CD PRO B 50 -9.094 16.418 -6.184 1.00 0.00 C ATOM 0 HA PRO B 50 -8.670 19.443 -7.180 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -9.199 17.271 -9.139 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -7.665 18.019 -8.737 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -8.358 15.418 -7.974 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -7.142 16.375 -7.150 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -9.906 15.693 -6.238 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -8.532 16.200 -5.275 1.00 0.00 H new ATOM 766 N THR B 51 -11.401 18.248 -8.537 1.00 0.00 N ATOM 767 CA THR B 51 -12.667 18.707 -9.179 1.00 0.00 C ATOM 768 C THR B 51 -12.370 19.869 -10.130 1.00 0.00 C ATOM 769 O THR B 51 -12.959 20.922 -9.950 1.00 0.00 O ATOM 770 CB THR B 51 -13.650 19.170 -8.100 1.00 0.00 C ATOM 771 OG1 THR B 51 -13.013 20.118 -7.255 1.00 0.00 O ATOM 772 CG2 THR B 51 -14.105 17.968 -7.270 1.00 0.00 C ATOM 773 OXT THR B 51 -11.558 19.686 -11.022 1.00 0.00 O ATOM 0 H THR B 51 -11.259 17.238 -8.535 1.00 0.00 H new ATOM 0 HA THR B 51 -13.105 17.882 -9.741 1.00 0.00 H new ATOM 0 HB THR B 51 -14.517 19.630 -8.573 1.00 0.00 H new ATOM 0 HG1 THR B 51 -12.321 20.594 -7.760 1.00 0.00 H new ATOM 0 HG21 THR B 51 -14.805 18.300 -6.503 1.00 0.00 H new ATOM 0 HG22 THR B 51 -14.595 17.242 -7.919 1.00 0.00 H new ATOM 0 HG23 THR B 51 -13.240 17.504 -6.796 1.00 0.00 H new TER 781 THR B 51