USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=12 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: B 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 51 THR OG1 : rot 62:sc= 0.301 USER MOD Set 2.1: A 12 SER OG : rot 78:sc= 0.0509 USER MOD Set 2.2: A 15 GLN : amide:sc= -0.528 X(o=-0.48,f=-0.0065) USER MOD Set 3.1: A 5 GLN : amide:sc= -6.71! C(o=-6.7!,f=-6!) USER MOD Set 3.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.492 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 : amide:sc= -0.608 K(o=-0.61,f=-0.046) USER MOD Single : A 21 ASN : amide:sc= -2.13! C(o=-2.1!,f=-5.3!) USER MOD Single : B 24 ASN : amide:sc= -1.49! K(o=-1.5!,f=-0.055) USER MOD Single : B 25 GLN : amide:sc= -1.22! K(o=-1.2!,f=0) USER MOD Single : B 26 HIS : no HE2:sc= 0.702 K(o=0.7,f=-3.8!) 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= -0.193 USER MOD Single : B 49 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.286) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.303 20.018 -13.622 1.00 0.00 N ATOM 2 CA GLY A 1 -0.075 19.534 -12.188 1.00 0.00 C ATOM 3 C GLY A 1 0.997 18.538 -11.907 1.00 0.00 C ATOM 4 O GLY A 1 1.560 17.947 -12.807 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.083 20.705 -13.636 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.563 20.470 -13.978 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.544 19.208 -14.228 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.128 20.413 -11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.015 19.110 -11.834 1.00 0.00 H new ATOM 10 N ILE A 2 1.310 18.327 -10.658 1.00 0.00 N ATOM 11 CA ILE A 2 2.375 17.345 -10.311 1.00 0.00 C ATOM 12 C ILE A 2 2.123 16.030 -11.058 1.00 0.00 C ATOM 13 O ILE A 2 3.036 15.304 -11.380 1.00 0.00 O ATOM 14 CB ILE A 2 2.370 17.107 -8.788 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.403 16.017 -8.421 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.963 16.696 -8.321 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.421 15.790 -6.915 1.00 0.00 C ATOM 0 H ILE A 2 0.874 18.793 -9.862 1.00 0.00 H new ATOM 0 HA ILE A 2 3.349 17.734 -10.607 1.00 0.00 H new ATOM 0 HB ILE A 2 2.645 18.032 -8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.157 15.087 -8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.394 16.316 -8.762 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.971 16.530 -7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.254 17.488 -8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.666 15.778 -8.827 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.153 15.020 -6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.689 16.718 -6.410 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.433 15.469 -6.584 1.00 0.00 H new ATOM 29 N VAL A 3 0.893 15.711 -11.327 1.00 0.00 N ATOM 30 CA VAL A 3 0.592 14.438 -12.035 1.00 0.00 C ATOM 31 C VAL A 3 1.251 14.419 -13.421 1.00 0.00 C ATOM 32 O VAL A 3 1.928 13.481 -13.778 1.00 0.00 O ATOM 33 CB VAL A 3 -0.924 14.303 -12.166 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.269 13.023 -12.925 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.539 14.242 -10.766 1.00 0.00 C ATOM 0 H VAL A 3 0.079 16.277 -11.087 1.00 0.00 H new ATOM 0 HA VAL A 3 0.993 13.599 -11.465 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.320 15.159 -12.712 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.352 12.934 -13.014 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.824 13.059 -13.920 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.877 12.162 -12.383 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.622 14.146 -10.848 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.138 13.382 -10.229 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.296 15.155 -10.222 1.00 0.00 H new ATOM 45 N GLU A 4 1.056 15.431 -14.212 1.00 0.00 N ATOM 46 CA GLU A 4 1.670 15.434 -15.574 1.00 0.00 C ATOM 47 C GLU A 4 3.171 15.139 -15.496 1.00 0.00 C ATOM 48 O GLU A 4 3.657 14.181 -16.059 1.00 0.00 O ATOM 49 CB GLU A 4 1.472 16.815 -16.214 1.00 0.00 C ATOM 50 CG GLU A 4 2.306 16.932 -17.506 1.00 0.00 C ATOM 51 CD GLU A 4 1.681 17.973 -18.441 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.785 19.150 -18.139 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.109 17.573 -19.442 1.00 0.00 O ATOM 0 H GLU A 4 0.501 16.255 -13.981 1.00 0.00 H new ATOM 0 HA GLU A 4 1.188 14.661 -16.172 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.417 16.971 -16.439 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.767 17.594 -15.511 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.330 17.217 -17.263 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.355 15.965 -18.006 1.00 0.00 H new ATOM 60 N GLN A 5 3.914 15.978 -14.843 1.00 0.00 N ATOM 61 CA GLN A 5 5.386 15.771 -14.785 1.00 0.00 C ATOM 62 C GLN A 5 5.751 14.424 -14.140 1.00 0.00 C ATOM 63 O GLN A 5 6.670 13.760 -14.570 1.00 0.00 O ATOM 64 CB GLN A 5 6.028 16.904 -13.979 1.00 0.00 C ATOM 65 CG GLN A 5 5.713 18.253 -14.635 1.00 0.00 C ATOM 66 CD GLN A 5 4.289 18.682 -14.278 0.50 0.00 C ATOM 67 OE1 GLN A 5 3.537 19.110 -15.131 0.50 0.00 O ATOM 68 NE2 GLN A 5 3.888 18.585 -13.042 0.50 0.00 N ATOM 0 H GLN A 5 3.569 16.799 -14.346 1.00 0.00 H new ATOM 0 HA GLN A 5 5.762 15.768 -15.808 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.654 16.891 -12.955 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.107 16.758 -13.926 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.425 19.007 -14.298 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.819 18.175 -15.717 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.521 18.225 -12.327 0.50 0.00 H new ATOM 0 HE22 GLN A 5 2.941 18.869 -12.789 0.50 0.00 H new ATOM 77 N CYS A 6 5.078 14.043 -13.090 1.00 0.00 N ATOM 78 CA CYS A 6 5.420 12.762 -12.386 1.00 0.00 C ATOM 79 C CYS A 6 4.710 11.550 -13.009 1.00 0.00 C ATOM 80 O CYS A 6 5.303 10.506 -13.197 1.00 0.00 O ATOM 81 CB CYS A 6 5.002 12.914 -10.924 1.00 0.00 C ATOM 82 SG CYS A 6 5.389 14.596 -10.405 1.00 0.00 S ATOM 0 H CYS A 6 4.301 14.563 -12.683 1.00 0.00 H new ATOM 0 HA CYS A 6 6.491 12.580 -12.477 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.936 12.716 -10.810 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.529 12.192 -10.300 1.00 0.00 H new ATOM 87 N CYS A 7 3.442 11.655 -13.290 1.00 0.00 N ATOM 88 CA CYS A 7 2.708 10.484 -13.861 1.00 0.00 C ATOM 89 C CYS A 7 2.921 10.389 -15.377 1.00 0.00 C ATOM 90 O CYS A 7 3.312 9.358 -15.887 1.00 0.00 O ATOM 91 CB CYS A 7 1.218 10.632 -13.554 1.00 0.00 C ATOM 92 SG CYS A 7 0.344 9.123 -14.043 1.00 0.00 S ATOM 0 H CYS A 7 2.881 12.495 -13.151 1.00 0.00 H new ATOM 0 HA CYS A 7 3.093 9.571 -13.408 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.073 10.820 -12.490 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.810 11.490 -14.088 1.00 0.00 H new ATOM 97 N THR A 8 2.670 11.442 -16.106 1.00 0.00 N ATOM 98 CA THR A 8 2.866 11.377 -17.585 1.00 0.00 C ATOM 99 C THR A 8 4.365 11.336 -17.887 1.00 0.00 C ATOM 100 O THR A 8 4.799 10.790 -18.882 1.00 0.00 O ATOM 101 CB THR A 8 2.236 12.610 -18.243 1.00 0.00 C ATOM 102 OG1 THR A 8 0.973 12.866 -17.647 1.00 0.00 O ATOM 103 CG2 THR A 8 2.050 12.357 -19.736 1.00 0.00 C ATOM 0 H THR A 8 2.340 12.338 -15.747 1.00 0.00 H new ATOM 0 HA THR A 8 2.388 10.481 -17.982 1.00 0.00 H new ATOM 0 HB THR A 8 2.890 13.470 -18.102 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.568 13.655 -18.064 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.602 13.235 -20.201 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.019 12.158 -20.195 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.396 11.497 -19.881 1.00 0.00 H new ATOM 111 N SER A 9 5.153 11.905 -17.019 1.00 0.00 N ATOM 112 CA SER A 9 6.635 11.913 -17.205 1.00 0.00 C ATOM 113 C SER A 9 7.273 11.570 -15.864 1.00 0.00 C ATOM 114 O SER A 9 6.593 11.450 -14.870 1.00 0.00 O ATOM 115 CB SER A 9 7.086 13.304 -17.642 1.00 0.00 C ATOM 116 OG SER A 9 6.582 13.577 -18.943 1.00 0.00 O ATOM 0 H SER A 9 4.829 12.374 -16.173 1.00 0.00 H new ATOM 0 HA SER A 9 6.930 11.191 -17.966 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.727 14.053 -16.936 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.174 13.362 -17.642 1.00 0.00 H new ATOM 0 HG SER A 9 6.869 14.471 -19.224 1.00 0.00 H new ATOM 122 N ILE A 10 8.564 11.408 -15.808 1.00 0.00 N ATOM 123 CA ILE A 10 9.201 11.076 -14.498 1.00 0.00 C ATOM 124 C ILE A 10 9.508 12.373 -13.746 1.00 0.00 C ATOM 125 O ILE A 10 10.026 13.322 -14.301 1.00 0.00 O ATOM 126 CB ILE A 10 10.488 10.271 -14.724 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.146 9.011 -15.557 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.088 9.867 -13.363 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.204 7.914 -15.364 1.00 0.00 C ATOM 0 H ILE A 10 9.202 11.489 -16.600 1.00 0.00 H new ATOM 0 HA ILE A 10 8.518 10.468 -13.904 1.00 0.00 H new ATOM 0 HB ILE A 10 11.220 10.873 -15.262 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.167 8.632 -15.263 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.081 9.276 -16.612 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.002 9.295 -13.524 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.317 10.763 -12.786 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.370 9.257 -12.816 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.937 7.042 -15.961 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.177 8.287 -15.682 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.249 7.633 -14.312 1.00 0.00 H new ATOM 141 N CYS A 11 9.182 12.416 -12.481 1.00 0.00 N ATOM 142 CA CYS A 11 9.437 13.641 -11.663 1.00 0.00 C ATOM 143 C CYS A 11 10.706 13.453 -10.836 1.00 0.00 C ATOM 144 O CYS A 11 11.415 12.474 -10.954 1.00 0.00 O ATOM 145 CB CYS A 11 8.254 13.862 -10.703 1.00 0.00 C ATOM 146 SG CYS A 11 7.073 15.018 -11.424 1.00 0.00 S ATOM 0 H CYS A 11 8.745 11.647 -11.973 1.00 0.00 H new ATOM 0 HA CYS A 11 9.552 14.498 -12.326 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.763 12.911 -10.495 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.617 14.248 -9.750 1.00 0.00 H new ATOM 151 N SER A 12 10.961 14.392 -9.973 1.00 0.00 N ATOM 152 CA SER A 12 12.141 14.320 -9.079 1.00 0.00 C ATOM 153 C SER A 12 11.702 14.782 -7.691 1.00 0.00 C ATOM 154 O SER A 12 10.749 15.514 -7.534 1.00 0.00 O ATOM 155 CB SER A 12 13.261 15.228 -9.622 1.00 0.00 C ATOM 156 OG SER A 12 13.000 15.524 -10.988 1.00 0.00 O ATOM 0 H SER A 12 10.386 15.225 -9.849 1.00 0.00 H new ATOM 0 HA SER A 12 12.527 13.302 -9.028 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.313 16.149 -9.041 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.227 14.733 -9.523 1.00 0.00 H new ATOM 0 HG SER A 12 12.305 16.212 -11.047 1.00 0.00 H new ATOM 162 N LEU A 13 12.401 14.363 -6.693 1.00 0.00 N ATOM 163 CA LEU A 13 12.070 14.765 -5.302 1.00 0.00 C ATOM 164 C LEU A 13 11.780 16.258 -5.266 1.00 0.00 C ATOM 165 O LEU A 13 10.711 16.702 -4.910 1.00 0.00 O ATOM 166 CB LEU A 13 13.304 14.482 -4.448 1.00 0.00 C ATOM 167 CG LEU A 13 13.176 15.134 -3.071 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.814 14.792 -2.470 1.00 0.00 C ATOM 169 CD2 LEU A 13 14.274 14.597 -2.164 1.00 0.00 C ATOM 0 H LEU A 13 13.208 13.744 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 13 11.200 14.221 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.434 13.406 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.194 14.859 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 13 13.269 16.216 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.722 15.257 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.024 15.164 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.722 13.711 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.190 15.057 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.171 13.516 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.248 14.833 -2.593 1.00 0.00 H new ATOM 181 N TYR A 14 12.754 17.013 -5.640 1.00 0.00 N ATOM 182 CA TYR A 14 12.628 18.497 -5.660 1.00 0.00 C ATOM 183 C TYR A 14 11.310 18.870 -6.316 1.00 0.00 C ATOM 184 O TYR A 14 10.565 19.695 -5.825 1.00 0.00 O ATOM 185 CB TYR A 14 13.803 19.070 -6.446 1.00 0.00 C ATOM 186 CG TYR A 14 15.020 18.223 -6.160 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.625 18.255 -4.898 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.527 17.396 -7.154 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.746 17.455 -4.641 1.00 0.00 C ATOM 190 CE2 TYR A 14 16.643 16.597 -6.905 1.00 0.00 C ATOM 191 CZ TYR A 14 17.256 16.625 -5.647 1.00 0.00 C ATOM 192 OH TYR A 14 18.361 15.836 -5.398 1.00 0.00 O ATOM 0 H TYR A 14 13.663 16.663 -5.943 1.00 0.00 H new ATOM 0 HA TYR A 14 12.642 18.903 -4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.582 19.070 -7.513 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.984 20.105 -6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.228 18.895 -4.124 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.055 17.371 -8.125 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.216 17.478 -3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.034 15.957 -7.682 1.00 0.00 H new ATOM 0 HH TYR A 14 18.583 15.321 -6.202 1.00 0.00 H new ATOM 202 N GLN A 15 11.000 18.240 -7.406 1.00 0.00 N ATOM 203 CA GLN A 15 9.708 18.534 -8.069 1.00 0.00 C ATOM 204 C GLN A 15 8.604 18.080 -7.128 1.00 0.00 C ATOM 205 O GLN A 15 7.557 18.681 -7.055 1.00 0.00 O ATOM 206 CB GLN A 15 9.610 17.791 -9.403 1.00 0.00 C ATOM 207 CG GLN A 15 10.535 18.451 -10.426 1.00 0.00 C ATOM 208 CD GLN A 15 10.219 17.906 -11.806 1.00 0.00 C ATOM 209 OE1 GLN A 15 11.094 17.456 -12.519 1.00 0.00 O ATOM 210 NE2 GLN A 15 8.990 17.930 -12.212 1.00 0.00 N ATOM 0 H GLN A 15 11.581 17.538 -7.865 1.00 0.00 H new ATOM 0 HA GLN A 15 9.619 19.600 -8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.886 16.745 -9.269 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.582 17.806 -9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.403 19.533 -10.410 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.577 18.254 -10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.261 18.309 -11.608 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.751 17.570 -13.136 1.00 0.00 H new ATOM 219 N LEU A 16 8.840 17.043 -6.369 1.00 0.00 N ATOM 220 CA LEU A 16 7.788 16.597 -5.412 1.00 0.00 C ATOM 221 C LEU A 16 7.744 17.592 -4.262 1.00 0.00 C ATOM 222 O LEU A 16 6.707 17.864 -3.690 1.00 0.00 O ATOM 223 CB LEU A 16 8.108 15.191 -4.858 1.00 0.00 C ATOM 224 CG LEU A 16 7.217 14.131 -5.510 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.570 14.010 -6.985 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.434 12.784 -4.814 1.00 0.00 C ATOM 0 H LEU A 16 9.700 16.494 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 16 6.828 16.550 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.156 14.954 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.963 15.180 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 16 6.171 14.422 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.936 13.255 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.412 14.970 -7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.615 13.718 -7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.800 12.028 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.479 12.489 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.178 12.874 -3.758 1.00 0.00 H new ATOM 238 N GLU A 17 8.875 18.115 -3.911 1.00 0.00 N ATOM 239 CA GLU A 17 8.933 19.068 -2.794 1.00 0.00 C ATOM 240 C GLU A 17 8.167 20.332 -3.139 1.00 0.00 C ATOM 241 O GLU A 17 7.516 20.940 -2.312 1.00 0.00 O ATOM 242 CB GLU A 17 10.381 19.446 -2.545 1.00 0.00 C ATOM 243 CG GLU A 17 11.205 18.215 -2.124 1.00 0.00 C ATOM 244 CD GLU A 17 12.383 18.647 -1.243 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.138 19.289 -0.235 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.507 18.329 -1.594 1.00 0.00 O ATOM 0 H GLU A 17 9.770 17.918 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 17 8.493 18.603 -1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.808 19.883 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.434 20.208 -1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.573 17.513 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.573 17.694 -3.008 1.00 0.00 H new ATOM 253 N ASN A 18 8.268 20.731 -4.357 1.00 0.00 N ATOM 254 CA ASN A 18 7.586 21.970 -4.815 1.00 0.00 C ATOM 255 C ASN A 18 6.125 21.958 -4.371 1.00 0.00 C ATOM 256 O ASN A 18 5.538 22.976 -4.062 1.00 0.00 O ATOM 257 CB ASN A 18 7.642 21.998 -6.355 1.00 0.00 C ATOM 258 CG ASN A 18 8.770 22.917 -6.841 1.00 0.00 C ATOM 259 OD1 ASN A 18 8.795 24.090 -6.523 1.00 0.00 O ATOM 260 ND2 ASN A 18 9.710 22.427 -7.602 1.00 0.00 N ATOM 0 H ASN A 18 8.804 20.247 -5.078 1.00 0.00 H new ATOM 0 HA ASN A 18 8.077 22.845 -4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.799 20.989 -6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.688 22.344 -6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.466 23.028 -7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.689 21.443 -7.869 1.00 0.00 H new ATOM 267 N TYR A 19 5.534 20.815 -4.405 1.00 0.00 N ATOM 268 CA TYR A 19 4.092 20.691 -4.063 1.00 0.00 C ATOM 269 C TYR A 19 3.857 20.480 -2.567 1.00 0.00 C ATOM 270 O TYR A 19 2.736 20.306 -2.149 1.00 0.00 O ATOM 271 CB TYR A 19 3.541 19.507 -4.841 1.00 0.00 C ATOM 272 CG TYR A 19 3.987 19.635 -6.280 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.565 20.722 -7.042 1.00 0.00 C ATOM 274 CD2 TYR A 19 4.828 18.678 -6.843 1.00 0.00 C ATOM 275 CE1 TYR A 19 3.983 20.857 -8.372 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.252 18.807 -8.174 1.00 0.00 C ATOM 277 CZ TYR A 19 4.830 19.900 -8.937 1.00 0.00 C ATOM 278 OH TYR A 19 5.244 20.030 -10.247 1.00 0.00 O ATOM 0 H TYR A 19 5.990 19.939 -4.659 1.00 0.00 H new ATOM 0 HA TYR A 19 3.587 21.620 -4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.901 18.571 -4.414 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.453 19.487 -4.781 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.913 21.464 -6.605 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.155 17.834 -6.253 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.651 21.700 -8.960 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.903 18.063 -8.609 1.00 0.00 H new ATOM 0 HH TYR A 19 5.829 19.280 -10.481 1.00 0.00 H new ATOM 288 N CYS A 20 4.862 20.489 -1.741 1.00 0.00 N ATOM 289 CA CYS A 20 4.574 20.292 -0.294 1.00 0.00 C ATOM 290 C CYS A 20 3.974 21.564 0.291 1.00 0.00 C ATOM 291 O CYS A 20 4.612 22.285 1.033 1.00 0.00 O ATOM 292 CB CYS A 20 5.832 19.966 0.462 1.00 0.00 C ATOM 293 SG CYS A 20 6.608 18.516 -0.265 1.00 0.00 S ATOM 0 H CYS A 20 5.842 20.620 -1.992 1.00 0.00 H new ATOM 0 HA CYS A 20 3.872 19.464 -0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.518 20.813 0.431 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.601 19.781 1.511 1.00 0.00 H new ATOM 298 N ASN A 21 2.751 21.833 -0.028 1.00 0.00 N ATOM 299 CA ASN A 21 2.085 23.048 0.510 1.00 0.00 C ATOM 300 C ASN A 21 2.987 24.266 0.286 1.00 0.00 C ATOM 301 O ASN A 21 3.646 24.308 -0.740 1.00 0.00 O ATOM 302 CB ASN A 21 1.833 22.852 2.006 1.00 0.00 C ATOM 303 CG ASN A 21 1.114 24.076 2.577 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.750 24.977 1.847 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.893 24.148 3.861 1.00 0.00 N ATOM 306 OXT ASN A 21 3.007 25.136 1.142 1.00 0.00 O ATOM 0 H ASN A 21 2.173 21.261 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 21 1.136 23.212 -0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.232 21.957 2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.779 22.699 2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.415 24.960 4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.198 23.392 4.474 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 16.477 9.744 -4.307 1.00 0.00 N ATOM 315 CA PHE B 22 15.023 9.459 -4.465 1.00 0.00 C ATOM 316 C PHE B 22 14.838 8.363 -5.522 1.00 0.00 C ATOM 317 O PHE B 22 15.486 7.337 -5.477 1.00 0.00 O ATOM 318 CB PHE B 22 14.302 10.750 -4.891 1.00 0.00 C ATOM 319 CG PHE B 22 12.842 10.693 -4.481 1.00 0.00 C ATOM 320 CD1 PHE B 22 12.499 10.742 -3.125 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.835 10.585 -5.452 1.00 0.00 C ATOM 322 CE1 PHE B 22 11.156 10.682 -2.737 1.00 0.00 C ATOM 323 CE2 PHE B 22 10.489 10.527 -5.063 1.00 0.00 C ATOM 324 CZ PHE B 22 10.149 10.575 -3.705 1.00 0.00 C ATOM 0 HA PHE B 22 14.599 9.113 -3.522 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.783 11.613 -4.431 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.380 10.880 -5.970 1.00 0.00 H new ATOM 0 HD1 PHE B 22 13.273 10.826 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE B 22 12.097 10.547 -6.499 1.00 0.00 H new ATOM 0 HE1 PHE B 22 10.895 10.718 -1.690 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.714 10.445 -5.811 1.00 0.00 H new ATOM 0 HZ PHE B 22 9.113 10.530 -3.405 1.00 0.00 H new ATOM 336 N VAL B 23 13.957 8.562 -6.468 1.00 0.00 N ATOM 337 CA VAL B 23 13.737 7.520 -7.513 1.00 0.00 C ATOM 338 C VAL B 23 13.280 8.177 -8.820 1.00 0.00 C ATOM 339 O VAL B 23 12.884 9.325 -8.851 1.00 0.00 O ATOM 340 CB VAL B 23 12.663 6.554 -7.023 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.452 7.359 -6.578 1.00 0.00 C ATOM 342 CG2 VAL B 23 12.260 5.596 -8.151 1.00 0.00 C ATOM 0 H VAL B 23 13.382 9.399 -6.561 1.00 0.00 H new ATOM 0 HA VAL B 23 14.667 6.983 -7.697 1.00 0.00 H new ATOM 0 HB VAL B 23 13.050 5.967 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.675 6.682 -6.225 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.740 8.033 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL B 23 11.072 7.940 -7.419 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.493 4.911 -7.790 1.00 0.00 H new ATOM 0 HG22 VAL B 23 11.869 6.168 -8.992 1.00 0.00 H new ATOM 0 HG23 VAL B 23 13.132 5.027 -8.474 1.00 0.00 H new ATOM 352 N ASN B 24 13.325 7.435 -9.895 1.00 0.00 N ATOM 353 CA ASN B 24 12.891 7.959 -11.227 1.00 0.00 C ATOM 354 C ASN B 24 11.789 7.042 -11.760 1.00 0.00 C ATOM 355 O ASN B 24 12.001 6.265 -12.669 1.00 0.00 O ATOM 356 CB ASN B 24 14.091 7.944 -12.189 1.00 0.00 C ATOM 357 CG ASN B 24 14.916 9.224 -12.029 1.00 0.00 C ATOM 358 OD1 ASN B 24 15.838 9.464 -12.783 1.00 0.00 O ATOM 359 ND2 ASN B 24 14.624 10.061 -11.073 1.00 0.00 N ATOM 0 H ASN B 24 13.651 6.468 -9.907 1.00 0.00 H new ATOM 0 HA ASN B 24 12.519 8.980 -11.138 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.715 7.073 -11.989 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.740 7.855 -13.217 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.169 10.916 -10.959 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.850 9.861 -10.439 1.00 0.00 H new ATOM 366 N GLN B 25 10.619 7.118 -11.177 1.00 0.00 N ATOM 367 CA GLN B 25 9.482 6.248 -11.611 1.00 0.00 C ATOM 368 C GLN B 25 8.308 7.117 -12.069 1.00 0.00 C ATOM 369 O GLN B 25 8.274 8.312 -11.851 1.00 0.00 O ATOM 370 CB GLN B 25 9.038 5.397 -10.403 1.00 0.00 C ATOM 371 CG GLN B 25 9.817 4.077 -10.370 1.00 0.00 C ATOM 372 CD GLN B 25 9.331 3.228 -9.195 1.00 0.00 C ATOM 373 OE1 GLN B 25 9.786 2.117 -9.004 1.00 0.00 O ATOM 374 NE2 GLN B 25 8.420 3.706 -8.392 1.00 0.00 N ATOM 0 H GLN B 25 10.400 7.753 -10.410 1.00 0.00 H new ATOM 0 HA GLN B 25 9.797 5.610 -12.437 1.00 0.00 H new ATOM 0 HB2 GLN B 25 9.205 5.950 -9.478 1.00 0.00 H new ATOM 0 HB3 GLN B 25 7.969 5.195 -10.465 1.00 0.00 H new ATOM 0 HG2 GLN B 25 9.677 3.536 -11.306 1.00 0.00 H new ATOM 0 HG3 GLN B 25 10.885 4.275 -10.273 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.038 4.638 -8.552 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.090 3.147 -7.605 1.00 0.00 H new ATOM 383 N HIS B 26 7.332 6.503 -12.679 1.00 0.00 N ATOM 384 CA HIS B 26 6.128 7.252 -13.133 1.00 0.00 C ATOM 385 C HIS B 26 5.113 7.211 -11.994 1.00 0.00 C ATOM 386 O HIS B 26 4.333 6.287 -11.874 1.00 0.00 O ATOM 387 CB HIS B 26 5.544 6.574 -14.382 1.00 0.00 C ATOM 388 CG HIS B 26 6.260 7.065 -15.611 1.00 0.00 C ATOM 389 ND1 HIS B 26 5.703 8.011 -16.461 1.00 0.00 N ATOM 390 CD2 HIS B 26 7.488 6.758 -16.145 1.00 0.00 C ATOM 391 CE1 HIS B 26 6.585 8.239 -17.451 1.00 0.00 C ATOM 392 NE2 HIS B 26 7.685 7.501 -17.303 1.00 0.00 N ATOM 0 H HIS B 26 7.318 5.504 -12.884 1.00 0.00 H new ATOM 0 HA HIS B 26 6.379 8.282 -13.386 1.00 0.00 H new ATOM 0 HB2 HIS B 26 5.644 5.492 -14.300 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.479 6.791 -14.460 1.00 0.00 H new ATOM 0 HD1 HIS B 26 4.790 8.453 -16.354 1.00 0.00 H new ATOM 0 HD2 HIS B 26 8.190 6.050 -15.730 1.00 0.00 H new ATOM 0 HE1 HIS B 26 6.422 8.932 -18.263 1.00 0.00 H new ATOM 400 N LEU B 27 5.141 8.190 -11.138 1.00 0.00 N ATOM 401 CA LEU B 27 4.206 8.195 -9.982 1.00 0.00 C ATOM 402 C LEU B 27 2.843 8.741 -10.396 1.00 0.00 C ATOM 403 O LEU B 27 2.749 9.702 -11.129 1.00 0.00 O ATOM 404 CB LEU B 27 4.761 9.080 -8.868 1.00 0.00 C ATOM 405 CG LEU B 27 6.250 8.799 -8.621 1.00 0.00 C ATOM 406 CD1 LEU B 27 6.836 9.918 -7.758 1.00 0.00 C ATOM 407 CD2 LEU B 27 6.404 7.468 -7.881 1.00 0.00 C ATOM 0 H LEU B 27 5.773 8.989 -11.189 1.00 0.00 H new ATOM 0 HA LEU B 27 4.097 7.169 -9.631 1.00 0.00 H new ATOM 0 HB2 LEU B 27 4.626 10.129 -9.133 1.00 0.00 H new ATOM 0 HB3 LEU B 27 4.199 8.908 -7.950 1.00 0.00 H new ATOM 0 HG LEU B 27 6.774 8.751 -9.576 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.894 9.724 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.724 10.872 -8.274 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.308 9.957 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.461 7.269 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU B 27 5.882 7.520 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU B 27 5.979 6.665 -8.484 1.00 0.00 H new ATOM 419 N CYS B 28 1.781 8.152 -9.907 1.00 0.00 N ATOM 420 CA CYS B 28 0.420 8.652 -10.256 1.00 0.00 C ATOM 421 C CYS B 28 -0.484 8.583 -9.028 1.00 0.00 C ATOM 422 O CYS B 28 -0.671 7.540 -8.434 1.00 0.00 O ATOM 423 CB CYS B 28 -0.167 7.792 -11.375 1.00 0.00 C ATOM 424 SG CYS B 28 1.006 7.718 -12.751 1.00 0.00 S ATOM 0 H CYS B 28 1.799 7.347 -9.281 1.00 0.00 H new ATOM 0 HA CYS B 28 0.490 9.687 -10.592 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.376 6.788 -11.006 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -1.115 8.211 -11.712 1.00 0.00 H new ATOM 429 N GLY B 29 -1.055 9.699 -8.666 1.00 0.00 N ATOM 430 CA GLY B 29 -1.972 9.754 -7.492 1.00 0.00 C ATOM 431 C GLY B 29 -1.474 8.862 -6.351 1.00 0.00 C ATOM 432 O GLY B 29 -0.497 9.156 -5.707 1.00 0.00 O ATOM 0 H GLY B 29 -0.922 10.591 -9.143 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -2.055 10.783 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.971 9.438 -7.793 1.00 0.00 H new ATOM 436 N SER B 30 -2.166 7.788 -6.085 1.00 0.00 N ATOM 437 CA SER B 30 -1.769 6.880 -4.964 1.00 0.00 C ATOM 438 C SER B 30 -0.245 6.735 -4.870 1.00 0.00 C ATOM 439 O SER B 30 0.342 6.977 -3.834 1.00 0.00 O ATOM 440 CB SER B 30 -2.394 5.502 -5.184 1.00 0.00 C ATOM 441 OG SER B 30 -3.803 5.640 -5.309 1.00 0.00 O ATOM 0 H SER B 30 -2.997 7.496 -6.599 1.00 0.00 H new ATOM 0 HA SER B 30 -2.127 7.316 -4.031 1.00 0.00 H new ATOM 0 HB2 SER B 30 -1.981 5.042 -6.082 1.00 0.00 H new ATOM 0 HB3 SER B 30 -2.154 4.844 -4.349 1.00 0.00 H new ATOM 0 HG SER B 30 -4.207 4.758 -5.452 1.00 0.00 H new ATOM 447 N ASP B 31 0.401 6.335 -5.927 1.00 0.00 N ATOM 448 CA ASP B 31 1.881 6.171 -5.868 1.00 0.00 C ATOM 449 C ASP B 31 2.549 7.540 -5.720 1.00 0.00 C ATOM 450 O ASP B 31 3.594 7.667 -5.122 1.00 0.00 O ATOM 451 CB ASP B 31 2.370 5.491 -7.153 1.00 0.00 C ATOM 452 CG ASP B 31 1.347 4.444 -7.597 1.00 0.00 C ATOM 453 OD1 ASP B 31 0.903 3.684 -6.752 1.00 0.00 O ATOM 454 OD2 ASP B 31 1.025 4.420 -8.773 1.00 0.00 O ATOM 0 H ASP B 31 -0.028 6.115 -6.826 1.00 0.00 H new ATOM 0 HA ASP B 31 2.143 5.553 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.511 6.233 -7.939 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.338 5.020 -6.982 1.00 0.00 H new ATOM 459 N LEU B 32 1.950 8.555 -6.272 1.00 0.00 N ATOM 460 CA LEU B 32 2.532 9.929 -6.192 1.00 0.00 C ATOM 461 C LEU B 32 2.164 10.562 -4.864 1.00 0.00 C ATOM 462 O LEU B 32 3.017 10.878 -4.066 1.00 0.00 O ATOM 463 CB LEU B 32 1.959 10.731 -7.359 1.00 0.00 C ATOM 464 CG LEU B 32 2.225 12.235 -7.215 1.00 0.00 C ATOM 465 CD1 LEU B 32 3.746 12.506 -7.065 1.00 0.00 C ATOM 466 CD2 LEU B 32 1.657 12.931 -8.472 1.00 0.00 C ATOM 0 H LEU B 32 1.069 8.494 -6.783 1.00 0.00 H new ATOM 0 HA LEU B 32 3.620 9.904 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.396 10.374 -8.292 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.885 10.558 -7.423 1.00 0.00 H new ATOM 0 HG LEU B 32 1.741 12.627 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.916 13.578 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.121 11.994 -6.179 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.270 12.137 -7.947 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.830 14.005 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.154 12.540 -9.360 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.586 12.739 -8.542 1.00 0.00 H new ATOM 478 N VAL B 33 0.902 10.736 -4.618 1.00 0.00 N ATOM 479 CA VAL B 33 0.450 11.323 -3.329 1.00 0.00 C ATOM 480 C VAL B 33 1.300 10.740 -2.206 1.00 0.00 C ATOM 481 O VAL B 33 1.960 11.442 -1.468 1.00 0.00 O ATOM 482 CB VAL B 33 -1.009 10.924 -3.097 1.00 0.00 C ATOM 483 CG1 VAL B 33 -1.398 11.185 -1.632 1.00 0.00 C ATOM 484 CG2 VAL B 33 -1.901 11.728 -4.038 1.00 0.00 C ATOM 0 H VAL B 33 0.151 10.493 -5.264 1.00 0.00 H new ATOM 0 HA VAL B 33 0.546 12.409 -3.351 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.138 9.861 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.438 10.898 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.757 10.598 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.276 12.244 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -2.943 11.449 -3.879 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.775 12.792 -3.838 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.623 11.518 -5.071 1.00 0.00 H new ATOM 494 N GLU B 34 1.297 9.447 -2.101 1.00 0.00 N ATOM 495 CA GLU B 34 2.122 8.795 -1.053 1.00 0.00 C ATOM 496 C GLU B 34 3.552 9.307 -1.209 1.00 0.00 C ATOM 497 O GLU B 34 4.230 9.605 -0.246 1.00 0.00 O ATOM 498 CB GLU B 34 2.085 7.275 -1.230 1.00 0.00 C ATOM 499 CG GLU B 34 0.780 6.728 -0.651 1.00 0.00 C ATOM 500 CD GLU B 34 0.831 6.790 0.877 1.00 0.00 C ATOM 501 OE1 GLU B 34 1.843 7.229 1.399 1.00 0.00 O ATOM 502 OE2 GLU B 34 -0.142 6.396 1.499 1.00 0.00 O ATOM 0 H GLU B 34 0.761 8.813 -2.693 1.00 0.00 H new ATOM 0 HA GLU B 34 1.739 9.030 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.162 7.019 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.938 6.818 -0.728 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -0.065 7.309 -1.021 1.00 0.00 H new ATOM 0 HG3 GLU B 34 0.628 5.700 -0.978 1.00 0.00 H new ATOM 509 N ALA B 35 3.997 9.451 -2.431 1.00 0.00 N ATOM 510 CA ALA B 35 5.362 9.988 -2.663 1.00 0.00 C ATOM 511 C ALA B 35 5.424 11.372 -2.033 1.00 0.00 C ATOM 512 O ALA B 35 6.424 11.764 -1.485 1.00 0.00 O ATOM 513 CB ALA B 35 5.656 10.082 -4.175 1.00 0.00 C ATOM 0 H ALA B 35 3.472 9.219 -3.274 1.00 0.00 H new ATOM 0 HA ALA B 35 6.108 9.328 -2.219 1.00 0.00 H new ATOM 0 HB1 ALA B 35 6.660 10.477 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA B 35 5.585 9.090 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA B 35 4.930 10.745 -4.646 1.00 0.00 H new ATOM 519 N LEU B 36 4.357 12.123 -2.081 1.00 0.00 N ATOM 520 CA LEU B 36 4.405 13.460 -1.455 1.00 0.00 C ATOM 521 C LEU B 36 4.335 13.295 0.059 1.00 0.00 C ATOM 522 O LEU B 36 5.217 13.718 0.776 1.00 0.00 O ATOM 523 CB LEU B 36 3.247 14.297 -1.944 1.00 0.00 C ATOM 524 CG LEU B 36 3.487 14.692 -3.413 1.00 0.00 C ATOM 525 CD1 LEU B 36 2.153 15.153 -4.031 1.00 0.00 C ATOM 526 CD2 LEU B 36 4.568 15.810 -3.503 1.00 0.00 C ATOM 0 H LEU B 36 3.472 11.869 -2.520 1.00 0.00 H new ATOM 0 HA LEU B 36 5.333 13.964 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.316 13.738 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.144 15.190 -1.328 1.00 0.00 H new ATOM 0 HG LEU B 36 3.857 13.833 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.312 15.435 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.429 14.340 -3.982 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.773 16.011 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.727 16.079 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.232 16.687 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.503 15.448 -3.075 1.00 0.00 H new ATOM 538 N TYR B 37 3.305 12.655 0.553 1.00 0.00 N ATOM 539 CA TYR B 37 3.198 12.431 2.024 1.00 0.00 C ATOM 540 C TYR B 37 4.547 11.926 2.530 1.00 0.00 C ATOM 541 O TYR B 37 4.956 12.182 3.643 1.00 0.00 O ATOM 542 CB TYR B 37 2.128 11.381 2.298 1.00 0.00 C ATOM 543 CG TYR B 37 2.025 11.184 3.783 1.00 0.00 C ATOM 544 CD1 TYR B 37 2.920 10.334 4.437 1.00 0.00 C ATOM 545 CD2 TYR B 37 1.046 11.864 4.505 1.00 0.00 C ATOM 546 CE1 TYR B 37 2.832 10.160 5.822 1.00 0.00 C ATOM 547 CE2 TYR B 37 0.955 11.695 5.889 1.00 0.00 C ATOM 548 CZ TYR B 37 1.848 10.841 6.550 1.00 0.00 C ATOM 549 OH TYR B 37 1.759 10.673 7.917 1.00 0.00 O ATOM 0 H TYR B 37 2.535 12.279 0.000 1.00 0.00 H new ATOM 0 HA TYR B 37 2.928 13.358 2.530 1.00 0.00 H new ATOM 0 HB2 TYR B 37 1.169 11.702 1.891 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.384 10.442 1.808 1.00 0.00 H new ATOM 0 HD1 TYR B 37 3.679 9.812 3.874 1.00 0.00 H new ATOM 0 HD2 TYR B 37 0.358 12.522 3.995 1.00 0.00 H new ATOM 0 HE1 TYR B 37 3.522 9.502 6.329 1.00 0.00 H new ATOM 0 HE2 TYR B 37 0.197 12.222 6.449 1.00 0.00 H new ATOM 0 HH TYR B 37 1.023 11.218 8.266 1.00 0.00 H new ATOM 559 N LEU B 38 5.246 11.225 1.689 1.00 0.00 N ATOM 560 CA LEU B 38 6.580 10.706 2.050 1.00 0.00 C ATOM 561 C LEU B 38 7.568 11.873 2.006 1.00 0.00 C ATOM 562 O LEU B 38 8.359 12.077 2.905 1.00 0.00 O ATOM 563 CB LEU B 38 6.956 9.648 1.007 1.00 0.00 C ATOM 564 CG LEU B 38 8.328 9.017 1.327 1.00 0.00 C ATOM 565 CD1 LEU B 38 8.377 7.585 0.777 1.00 0.00 C ATOM 566 CD2 LEU B 38 9.470 9.833 0.690 1.00 0.00 C ATOM 0 H LEU B 38 4.938 10.987 0.746 1.00 0.00 H new ATOM 0 HA LEU B 38 6.593 10.263 3.046 1.00 0.00 H new ATOM 0 HB2 LEU B 38 6.192 8.871 0.980 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.983 10.102 0.017 1.00 0.00 H new ATOM 0 HG LEU B 38 8.456 9.011 2.409 1.00 0.00 H new ATOM 0 HD11 LEU B 38 9.346 7.141 1.004 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.589 6.991 1.239 1.00 0.00 H new ATOM 0 HD13 LEU B 38 8.231 7.605 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU B 38 10.427 9.369 0.930 1.00 0.00 H new ATOM 0 HD22 LEU B 38 9.340 9.858 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU B 38 9.452 10.850 1.081 1.00 0.00 H new ATOM 578 N VAL B 39 7.510 12.636 0.953 1.00 0.00 N ATOM 579 CA VAL B 39 8.420 13.807 0.795 1.00 0.00 C ATOM 580 C VAL B 39 7.956 14.953 1.705 1.00 0.00 C ATOM 581 O VAL B 39 8.678 15.423 2.562 1.00 0.00 O ATOM 582 CB VAL B 39 8.355 14.262 -0.676 1.00 0.00 C ATOM 583 CG1 VAL B 39 8.940 15.661 -0.845 1.00 0.00 C ATOM 584 CG2 VAL B 39 9.128 13.280 -1.555 1.00 0.00 C ATOM 0 H VAL B 39 6.859 12.497 0.180 1.00 0.00 H new ATOM 0 HA VAL B 39 9.439 13.533 1.068 1.00 0.00 H new ATOM 0 HB VAL B 39 7.308 14.286 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.881 15.956 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.375 16.367 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.982 15.660 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL B 39 9.079 13.606 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL B 39 10.169 13.246 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL B 39 8.688 12.287 -1.465 1.00 0.00 H new ATOM 594 N CYS B 40 6.765 15.423 1.482 1.00 0.00 N ATOM 595 CA CYS B 40 6.220 16.565 2.267 1.00 0.00 C ATOM 596 C CYS B 40 5.964 16.186 3.728 1.00 0.00 C ATOM 597 O CYS B 40 6.334 16.901 4.635 1.00 0.00 O ATOM 598 CB CYS B 40 4.901 16.945 1.620 1.00 0.00 C ATOM 599 SG CYS B 40 5.172 17.111 -0.157 1.00 0.00 S ATOM 0 H CYS B 40 6.130 15.056 0.773 1.00 0.00 H new ATOM 0 HA CYS B 40 6.939 17.384 2.266 1.00 0.00 H new ATOM 0 HB2 CYS B 40 4.146 16.184 1.820 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.529 17.881 2.037 1.00 0.00 H new ATOM 604 N GLY B 41 5.333 15.075 3.966 1.00 0.00 N ATOM 605 CA GLY B 41 5.055 14.669 5.371 1.00 0.00 C ATOM 606 C GLY B 41 4.103 15.663 6.043 1.00 0.00 C ATOM 607 O GLY B 41 2.966 15.819 5.643 1.00 0.00 O ATOM 0 H GLY B 41 4.997 14.430 3.251 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.617 13.671 5.387 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.989 14.616 5.931 1.00 0.00 H new ATOM 611 N GLU B 42 4.552 16.313 7.082 1.00 0.00 N ATOM 612 CA GLU B 42 3.673 17.274 7.813 1.00 0.00 C ATOM 613 C GLU B 42 3.298 18.468 6.930 1.00 0.00 C ATOM 614 O GLU B 42 2.167 18.913 6.930 1.00 0.00 O ATOM 615 CB GLU B 42 4.410 17.779 9.057 1.00 0.00 C ATOM 616 CG GLU B 42 3.574 18.859 9.750 1.00 0.00 C ATOM 617 CD GLU B 42 4.100 19.084 11.169 1.00 0.00 C ATOM 618 OE1 GLU B 42 4.045 18.152 11.954 1.00 0.00 O ATOM 619 OE2 GLU B 42 4.548 20.184 11.447 1.00 0.00 O ATOM 0 H GLU B 42 5.495 16.220 7.459 1.00 0.00 H new ATOM 0 HA GLU B 42 2.756 16.756 8.095 1.00 0.00 H new ATOM 0 HB2 GLU B 42 4.594 16.952 9.743 1.00 0.00 H new ATOM 0 HB3 GLU B 42 5.383 18.183 8.776 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.620 19.789 9.183 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.527 18.557 9.783 1.00 0.00 H new ATOM 626 N ARG B 43 4.229 19.010 6.199 1.00 0.00 N ATOM 627 CA ARG B 43 3.901 20.192 5.354 1.00 0.00 C ATOM 628 C ARG B 43 2.623 19.938 4.552 1.00 0.00 C ATOM 629 O ARG B 43 2.027 20.857 4.030 1.00 0.00 O ATOM 630 CB ARG B 43 5.051 20.486 4.378 1.00 0.00 C ATOM 631 CG ARG B 43 6.393 20.226 5.048 1.00 0.00 C ATOM 632 CD ARG B 43 7.534 20.752 4.151 1.00 0.00 C ATOM 633 NE ARG B 43 8.243 19.591 3.543 1.00 0.00 N ATOM 634 CZ ARG B 43 9.118 19.781 2.593 1.00 0.00 C ATOM 635 NH1 ARG B 43 9.388 20.992 2.186 1.00 0.00 N ATOM 636 NH2 ARG B 43 9.721 18.760 2.049 1.00 0.00 N ATOM 0 H ARG B 43 5.196 18.690 6.149 1.00 0.00 H new ATOM 0 HA ARG B 43 3.753 21.047 6.013 1.00 0.00 H new ATOM 0 HB2 ARG B 43 4.953 19.861 3.491 1.00 0.00 H new ATOM 0 HB3 ARG B 43 4.998 21.522 4.045 1.00 0.00 H new ATOM 0 HG2 ARG B 43 6.426 20.718 6.020 1.00 0.00 H new ATOM 0 HG3 ARG B 43 6.520 19.158 5.226 1.00 0.00 H new ATOM 0 HD2 ARG B 43 7.133 21.399 3.371 1.00 0.00 H new ATOM 0 HD3 ARG B 43 8.229 21.353 4.738 1.00 0.00 H new ATOM 0 HE ARG B 43 8.044 18.645 3.870 1.00 0.00 H new ATOM 0 HH11 ARG B 43 8.915 21.790 2.610 1.00 0.00 H new ATOM 0 HH12 ARG B 43 10.072 21.140 1.444 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.509 17.814 2.366 1.00 0.00 H new ATOM 0 HH22 ARG B 43 10.405 18.908 1.307 1.00 0.00 H new ATOM 650 N GLY B 44 2.204 18.709 4.415 1.00 0.00 N ATOM 651 CA GLY B 44 0.980 18.455 3.602 1.00 0.00 C ATOM 652 C GLY B 44 1.355 18.677 2.139 1.00 0.00 C ATOM 653 O GLY B 44 2.503 18.914 1.832 1.00 0.00 O ATOM 0 H GLY B 44 2.646 17.885 4.822 1.00 0.00 H new ATOM 0 HA2 GLY B 44 0.620 17.438 3.757 1.00 0.00 H new ATOM 0 HA3 GLY B 44 0.175 19.127 3.899 1.00 0.00 H new ATOM 657 N PHE B 45 0.435 18.604 1.219 1.00 0.00 N ATOM 658 CA PHE B 45 0.847 18.812 -0.199 1.00 0.00 C ATOM 659 C PHE B 45 -0.379 18.988 -1.121 1.00 0.00 C ATOM 660 O PHE B 45 -1.501 18.754 -0.704 1.00 0.00 O ATOM 661 CB PHE B 45 1.636 17.587 -0.638 1.00 0.00 C ATOM 662 CG PHE B 45 0.887 16.338 -0.256 1.00 0.00 C ATOM 663 CD1 PHE B 45 -0.081 15.816 -1.109 1.00 0.00 C ATOM 664 CD2 PHE B 45 1.176 15.699 0.950 1.00 0.00 C ATOM 665 CE1 PHE B 45 -0.764 14.644 -0.757 1.00 0.00 C ATOM 666 CE2 PHE B 45 0.496 14.532 1.307 1.00 0.00 C ATOM 667 CZ PHE B 45 -0.472 14.003 0.454 1.00 0.00 C ATOM 0 H PHE B 45 -0.555 18.415 1.377 1.00 0.00 H new ATOM 0 HA PHE B 45 1.449 19.718 -0.270 1.00 0.00 H new ATOM 0 HB2 PHE B 45 1.795 17.612 -1.716 1.00 0.00 H new ATOM 0 HB3 PHE B 45 2.621 17.590 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.305 16.313 -2.041 1.00 0.00 H new ATOM 0 HD2 PHE B 45 1.927 16.108 1.609 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -1.514 14.236 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE B 45 0.720 14.040 2.242 1.00 0.00 H new ATOM 0 HZ PHE B 45 -0.997 13.099 0.727 1.00 0.00 H new HETATM 677 N 23F B 46 -0.184 19.409 -2.464 1.00 0.00 N HETATM 678 CA 23F B 46 -1.270 19.571 -3.355 1.00 0.00 C HETATM 679 C 23F B 46 -2.066 18.361 -3.762 1.00 0.00 C HETATM 680 CB 23F B 46 -1.619 20.823 -3.886 1.00 0.00 C HETATM 681 CG 23F B 46 -0.883 22.128 -3.661 1.00 0.00 C HETATM 682 CD1 23F B 46 0.369 22.278 -2.876 1.00 0.00 C HETATM 683 CD2 23F B 46 -1.431 23.323 -4.328 1.00 0.00 C HETATM 684 CE1 23F B 46 1.018 23.563 -2.792 1.00 0.00 C HETATM 685 CE2 23F B 46 -0.775 24.574 -4.227 1.00 0.00 C HETATM 686 CZ 23F B 46 0.449 24.711 -3.466 1.00 0.00 C HETATM 687 O 23F B 46 -1.739 17.726 -4.746 1.00 0.00 O HETATM 0 HZ 23F B 46 0.943 25.680 -3.400 1.00 0.00 H new HETATM 0 HE2 23F B 46 -1.197 25.445 -4.729 1.00 0.00 H new HETATM 0 HE1 23F B 46 1.939 23.670 -2.220 1.00 0.00 H new HETATM 0 HD2 23F B 46 -2.352 23.243 -4.906 1.00 0.00 H new HETATM 0 HD1 23F B 46 0.797 21.417 -2.363 1.00 0.00 H new HETATM 0 HB 23F B 46 -2.504 20.860 -4.521 1.00 0.00 H new ATOM 695 N TYR B 47 -3.198 17.983 -3.033 1.00 0.00 N ATOM 696 CA TYR B 47 -4.031 16.796 -3.441 1.00 0.00 C ATOM 697 C TYR B 47 -5.230 16.715 -2.482 1.00 0.00 C ATOM 698 O TYR B 47 -5.220 15.984 -1.511 1.00 0.00 O ATOM 699 CB TYR B 47 -3.193 15.478 -3.391 1.00 0.00 C ATOM 700 CG TYR B 47 -3.128 14.822 -4.762 1.00 0.00 C ATOM 701 CD1 TYR B 47 -4.297 14.315 -5.341 1.00 0.00 C ATOM 702 CD2 TYR B 47 -1.902 14.704 -5.444 1.00 0.00 C ATOM 703 CE1 TYR B 47 -4.249 13.696 -6.595 1.00 0.00 C ATOM 704 CE2 TYR B 47 -1.858 14.081 -6.697 1.00 0.00 C ATOM 705 CZ TYR B 47 -3.031 13.579 -7.273 1.00 0.00 C ATOM 706 OH TYR B 47 -2.985 12.965 -8.508 1.00 0.00 O ATOM 0 H TYR B 47 -3.530 18.468 -2.200 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.374 16.916 -4.469 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.184 15.697 -3.040 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.637 14.787 -2.674 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.238 14.402 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.997 15.093 -5.001 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.153 13.308 -7.040 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.918 13.988 -7.220 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.838 13.097 -8.971 1.00 0.00 H new ATOM 716 N THR B 48 -6.258 17.477 -2.744 1.00 0.00 N ATOM 717 CA THR B 48 -7.452 17.462 -1.850 1.00 0.00 C ATOM 718 C THR B 48 -8.407 16.349 -2.284 1.00 0.00 C ATOM 719 O THR B 48 -8.059 15.488 -3.066 1.00 0.00 O ATOM 720 CB THR B 48 -8.170 18.811 -1.939 1.00 0.00 C ATOM 721 OG1 THR B 48 -8.613 19.022 -3.273 1.00 0.00 O ATOM 722 CG2 THR B 48 -7.210 19.931 -1.535 1.00 0.00 C ATOM 0 H THR B 48 -6.322 18.111 -3.541 1.00 0.00 H new ATOM 0 HA THR B 48 -7.132 17.284 -0.823 1.00 0.00 H new ATOM 0 HB THR B 48 -9.027 18.812 -1.266 1.00 0.00 H new ATOM 0 HG1 THR B 48 -9.074 19.885 -3.332 1.00 0.00 H new ATOM 0 HG21 THR B 48 -7.723 20.891 -1.599 1.00 0.00 H new ATOM 0 HG22 THR B 48 -6.871 19.768 -0.512 1.00 0.00 H new ATOM 0 HG23 THR B 48 -6.351 19.933 -2.206 1.00 0.00 H new ATOM 730 N LYS B 49 -9.611 16.363 -1.780 1.00 0.00 N ATOM 731 CA LYS B 49 -10.591 15.308 -2.161 1.00 0.00 C ATOM 732 C LYS B 49 -11.061 15.526 -3.616 1.00 0.00 C ATOM 733 O LYS B 49 -10.892 14.641 -4.431 1.00 0.00 O ATOM 734 CB LYS B 49 -11.786 15.328 -1.176 1.00 0.00 C ATOM 735 CG LYS B 49 -11.682 14.170 -0.170 1.00 0.00 C ATOM 736 CD LYS B 49 -10.446 14.364 0.715 1.00 0.00 C ATOM 737 CE LYS B 49 -10.553 13.467 1.950 1.00 0.00 C ATOM 738 NZ LYS B 49 -10.758 12.055 1.522 1.00 0.00 N ATOM 0 H LYS B 49 -9.958 17.060 -1.121 1.00 0.00 H new ATOM 0 HA LYS B 49 -10.116 14.328 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -11.808 16.278 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.722 15.252 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -12.580 14.129 0.447 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -11.616 13.220 -0.700 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -9.543 14.122 0.154 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.363 15.408 1.017 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.647 13.548 2.551 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -11.383 13.792 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -10.530 11.417 2.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -11.750 11.918 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -10.138 11.843 0.715 1.00 0.00 H new ATOM 752 N PRO B 50 -11.635 16.678 -3.927 1.00 0.00 N ATOM 753 CA PRO B 50 -12.101 16.942 -5.295 1.00 0.00 C ATOM 754 C PRO B 50 -11.052 16.492 -6.320 1.00 0.00 C ATOM 755 O PRO B 50 -11.284 15.600 -7.113 1.00 0.00 O ATOM 756 CB PRO B 50 -12.328 18.463 -5.339 1.00 0.00 C ATOM 757 CG PRO B 50 -12.411 18.942 -3.871 1.00 0.00 C ATOM 758 CD PRO B 50 -11.871 17.797 -2.986 1.00 0.00 C ATOM 0 HA PRO B 50 -13.009 16.393 -5.544 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -11.512 18.961 -5.863 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -13.246 18.702 -5.877 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -11.823 19.849 -3.728 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -13.439 19.183 -3.603 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -10.952 18.088 -2.478 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -12.589 17.521 -2.213 1.00 0.00 H new ATOM 766 N THR B 51 -9.903 17.105 -6.307 1.00 0.00 N ATOM 767 CA THR B 51 -8.839 16.718 -7.275 1.00 0.00 C ATOM 768 C THR B 51 -8.152 15.438 -6.794 1.00 0.00 C ATOM 769 O THR B 51 -8.857 14.494 -6.479 1.00 0.00 O ATOM 770 CB THR B 51 -7.808 17.845 -7.376 1.00 0.00 C ATOM 771 OG1 THR B 51 -7.206 18.047 -6.105 1.00 0.00 O ATOM 772 CG2 THR B 51 -8.498 19.133 -7.827 1.00 0.00 C ATOM 773 OXT THR B 51 -6.933 15.425 -6.748 1.00 0.00 O ATOM 0 H THR B 51 -9.653 17.859 -5.667 1.00 0.00 H new ATOM 0 HA THR B 51 -9.284 16.544 -8.255 1.00 0.00 H new ATOM 0 HB THR B 51 -7.042 17.574 -8.103 1.00 0.00 H new ATOM 0 HG1 THR B 51 -6.735 17.232 -5.833 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.762 19.934 -7.898 1.00 0.00 H new ATOM 0 HG22 THR B 51 -8.960 18.976 -8.802 1.00 0.00 H new ATOM 0 HG23 THR B 51 -9.265 19.408 -7.103 1.00 0.00 H new TER 781 THR B 51