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 -170:sc= -0.0448 USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= -0.0226 F(o=-0.91,f=-0.067) USER MOD Set 2.1: A 5 GLN : amide:sc= -3.2! C(o=-3.2!,f=-5.5!) 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 173:sc= -0.499 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= -0.0505 F(o=-0.58,f=-0.05) USER MOD Single : A 21 ASN : amide:sc= -1.17! C(o=-1.2!,f=-1.1!) USER MOD Single : B 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 GLN :FLIP amide:sc=-0.00459 F(o=-1.2,f=-0.0046) USER MOD Single : B 26 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.5!) USER MOD Single : B 30 SER OG : rot 90:sc= -0.484! USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 60:sc= -0.0218 USER MOD Single : B 48 THR OG1 : rot 42:sc= 0.564 USER MOD Single : B 49 LYS NZ :NH3+ 152:sc= -0.125 (180deg=-0.779) USER MOD Single : B 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.321 19.691 -11.215 1.00 0.00 N ATOM 2 CA GLY A 1 -0.021 19.790 -12.016 1.00 0.00 C ATOM 3 C GLY A 1 1.085 18.823 -11.757 1.00 0.00 C ATOM 4 O GLY A 1 1.837 18.475 -12.645 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.976 20.437 -11.523 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.757 18.760 -11.374 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.115 19.808 -10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.282 19.710 -13.071 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.380 20.792 -11.862 1.00 0.00 H new ATOM 10 N ILE A 2 1.215 18.366 -10.541 1.00 0.00 N ATOM 11 CA ILE A 2 2.303 17.399 -10.220 1.00 0.00 C ATOM 12 C ILE A 2 2.044 16.075 -10.949 1.00 0.00 C ATOM 13 O ILE A 2 2.955 15.357 -11.293 1.00 0.00 O ATOM 14 CB ILE A 2 2.344 17.174 -8.696 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.375 16.077 -8.350 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.947 16.780 -8.184 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.441 15.870 -6.843 1.00 0.00 C ATOM 0 H ILE A 2 0.615 18.620 -9.756 1.00 0.00 H new ATOM 0 HA ILE A 2 3.263 17.796 -10.548 1.00 0.00 H new ATOM 0 HB ILE A 2 2.645 18.101 -8.208 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.101 15.143 -8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.357 16.359 -8.728 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.985 16.623 -7.106 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.239 17.577 -8.410 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.626 15.860 -8.673 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.172 15.094 -6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.737 16.801 -6.360 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.461 15.566 -6.474 1.00 0.00 H new ATOM 29 N VAL A 3 0.810 15.743 -11.179 1.00 0.00 N ATOM 30 CA VAL A 3 0.495 14.462 -11.867 1.00 0.00 C ATOM 31 C VAL A 3 1.148 14.412 -13.255 1.00 0.00 C ATOM 32 O VAL A 3 1.793 13.450 -13.607 1.00 0.00 O ATOM 33 CB VAL A 3 -1.024 14.345 -11.991 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.390 13.051 -12.713 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.636 14.332 -10.588 1.00 0.00 C ATOM 0 H VAL A 3 -0.000 16.305 -10.920 1.00 0.00 H new ATOM 0 HA VAL A 3 0.890 13.628 -11.287 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.408 15.191 -12.560 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.474 12.975 -12.797 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.948 13.053 -13.709 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.010 12.199 -12.149 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.720 14.249 -10.665 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.245 13.482 -10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.379 15.256 -10.070 1.00 0.00 H new ATOM 45 N GLU A 4 0.976 15.423 -14.054 1.00 0.00 N ATOM 46 CA GLU A 4 1.579 15.400 -15.422 1.00 0.00 C ATOM 47 C GLU A 4 3.072 15.058 -15.360 1.00 0.00 C ATOM 48 O GLU A 4 3.518 14.079 -15.918 1.00 0.00 O ATOM 49 CB GLU A 4 1.417 16.782 -16.066 1.00 0.00 C ATOM 50 CG GLU A 4 2.245 16.869 -17.363 1.00 0.00 C ATOM 51 CD GLU A 4 1.664 17.947 -18.283 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.928 18.785 -17.789 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.966 17.915 -19.464 1.00 0.00 O ATOM 0 H GLU A 4 0.447 16.264 -13.825 1.00 0.00 H new ATOM 0 HA GLU A 4 1.068 14.638 -16.010 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.365 16.968 -16.285 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.739 17.555 -15.369 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.283 17.102 -17.127 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.242 15.905 -17.872 1.00 0.00 H new ATOM 60 N GLN A 5 3.853 15.879 -14.728 1.00 0.00 N ATOM 61 CA GLN A 5 5.318 15.619 -14.693 1.00 0.00 C ATOM 62 C GLN A 5 5.646 14.275 -14.025 1.00 0.00 C ATOM 63 O GLN A 5 6.548 13.580 -14.442 1.00 0.00 O ATOM 64 CB GLN A 5 6.022 16.743 -13.925 1.00 0.00 C ATOM 65 CG GLN A 5 5.841 18.081 -14.658 1.00 0.00 C ATOM 66 CD GLN A 5 4.470 18.671 -14.329 0.50 0.00 C ATOM 67 OE1 GLN A 5 3.667 18.908 -15.209 0.50 0.00 O ATOM 68 NE2 GLN A 5 4.171 18.922 -13.087 0.50 0.00 N ATOM 0 H GLN A 5 3.545 16.717 -14.235 1.00 0.00 H new ATOM 0 HA GLN A 5 5.670 15.581 -15.724 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.615 16.815 -12.916 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.083 16.516 -13.825 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.627 18.777 -14.363 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.934 17.932 -15.734 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.847 18.722 -12.349 0.50 0.00 H new ATOM 0 HE22 GLN A 5 3.261 19.318 -12.852 0.50 0.00 H new ATOM 77 N CYS A 6 4.963 13.927 -12.970 1.00 0.00 N ATOM 78 CA CYS A 6 5.276 12.649 -12.247 1.00 0.00 C ATOM 79 C CYS A 6 4.537 11.448 -12.854 1.00 0.00 C ATOM 80 O CYS A 6 5.104 10.389 -13.037 1.00 0.00 O ATOM 81 CB CYS A 6 4.862 12.824 -10.787 1.00 0.00 C ATOM 82 SG CYS A 6 5.253 14.510 -10.287 1.00 0.00 S ATOM 0 H CYS A 6 4.198 14.471 -12.571 1.00 0.00 H new ATOM 0 HA CYS A 6 6.343 12.445 -12.335 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.796 12.630 -10.669 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.388 12.109 -10.155 1.00 0.00 H new ATOM 87 N CYS A 7 3.270 11.581 -13.124 1.00 0.00 N ATOM 88 CA CYS A 7 2.502 10.425 -13.677 1.00 0.00 C ATOM 89 C CYS A 7 2.694 10.315 -15.195 1.00 0.00 C ATOM 90 O CYS A 7 3.055 9.272 -15.702 1.00 0.00 O ATOM 91 CB CYS A 7 1.022 10.613 -13.345 1.00 0.00 C ATOM 92 SG CYS A 7 0.104 9.115 -13.782 1.00 0.00 S ATOM 0 H CYS A 7 2.731 12.436 -12.987 1.00 0.00 H new ATOM 0 HA CYS A 7 2.870 9.503 -13.227 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.902 10.828 -12.283 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.623 11.468 -13.890 1.00 0.00 H new ATOM 97 N THR A 8 2.460 11.369 -15.930 1.00 0.00 N ATOM 98 CA THR A 8 2.640 11.285 -17.411 1.00 0.00 C ATOM 99 C THR A 8 4.134 11.188 -17.725 1.00 0.00 C ATOM 100 O THR A 8 4.541 10.617 -18.717 1.00 0.00 O ATOM 101 CB THR A 8 2.048 12.533 -18.075 1.00 0.00 C ATOM 102 OG1 THR A 8 0.801 12.841 -17.469 1.00 0.00 O ATOM 103 CG2 THR A 8 1.836 12.271 -19.563 1.00 0.00 C ATOM 0 H THR A 8 2.155 12.276 -15.576 1.00 0.00 H new ATOM 0 HA THR A 8 2.127 10.404 -17.796 1.00 0.00 H new ATOM 0 HB THR A 8 2.735 13.370 -17.949 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.474 13.699 -17.811 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.415 13.160 -20.033 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.791 12.032 -20.030 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.150 11.434 -19.691 1.00 0.00 H new ATOM 111 N SER A 9 4.950 11.738 -16.869 1.00 0.00 N ATOM 112 CA SER A 9 6.430 11.692 -17.068 1.00 0.00 C ATOM 113 C SER A 9 7.067 11.350 -15.725 1.00 0.00 C ATOM 114 O SER A 9 6.392 11.279 -14.724 1.00 0.00 O ATOM 115 CB SER A 9 6.926 13.058 -17.533 1.00 0.00 C ATOM 116 OG SER A 9 6.422 13.325 -18.835 1.00 0.00 O ATOM 0 H SER A 9 4.650 12.226 -16.025 1.00 0.00 H new ATOM 0 HA SER A 9 6.693 10.948 -17.820 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.599 13.832 -16.839 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.016 13.078 -17.542 1.00 0.00 H new ATOM 0 HG SER A 9 6.738 14.203 -19.135 1.00 0.00 H new ATOM 122 N ILE A 10 8.352 11.138 -15.676 1.00 0.00 N ATOM 123 CA ILE A 10 8.985 10.811 -14.362 1.00 0.00 C ATOM 124 C ILE A 10 9.357 12.114 -13.652 1.00 0.00 C ATOM 125 O ILE A 10 10.017 12.971 -14.204 1.00 0.00 O ATOM 126 CB ILE A 10 10.236 9.948 -14.572 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.850 8.701 -15.397 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.798 9.521 -13.202 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.909 7.600 -15.248 1.00 0.00 C ATOM 0 H ILE A 10 8.986 11.175 -16.474 1.00 0.00 H new ATOM 0 HA ILE A 10 8.281 10.248 -13.750 1.00 0.00 H new ATOM 0 HB ILE A 10 10.998 10.516 -15.106 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.881 8.327 -15.067 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.746 8.972 -16.448 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.687 8.908 -13.349 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.060 10.407 -12.624 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.045 8.946 -12.663 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.616 6.731 -15.838 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.871 7.971 -15.601 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.993 7.315 -14.199 1.00 0.00 H new ATOM 141 N CYS A 11 8.927 12.267 -12.428 1.00 0.00 N ATOM 142 CA CYS A 11 9.239 13.511 -11.666 1.00 0.00 C ATOM 143 C CYS A 11 10.555 13.344 -10.914 1.00 0.00 C ATOM 144 O CYS A 11 11.256 12.360 -11.044 1.00 0.00 O ATOM 145 CB CYS A 11 8.117 13.779 -10.646 1.00 0.00 C ATOM 146 SG CYS A 11 6.917 14.935 -11.335 1.00 0.00 S ATOM 0 H CYS A 11 8.370 11.580 -11.921 1.00 0.00 H new ATOM 0 HA CYS A 11 9.320 14.344 -12.364 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.623 12.844 -10.383 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.540 14.186 -9.727 1.00 0.00 H new ATOM 151 N SER A 12 10.863 14.312 -10.104 1.00 0.00 N ATOM 152 CA SER A 12 12.095 14.274 -9.284 1.00 0.00 C ATOM 153 C SER A 12 11.725 14.762 -7.883 1.00 0.00 C ATOM 154 O SER A 12 10.817 15.544 -7.705 1.00 0.00 O ATOM 155 CB SER A 12 13.158 15.193 -9.923 1.00 0.00 C ATOM 156 OG SER A 12 12.577 15.875 -11.026 1.00 0.00 O ATOM 0 H SER A 12 10.295 15.149 -9.974 1.00 0.00 H new ATOM 0 HA SER A 12 12.508 13.267 -9.229 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.526 15.910 -9.189 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.015 14.605 -10.253 1.00 0.00 H new ATOM 0 HG SER A 12 13.278 16.336 -11.532 1.00 0.00 H new ATOM 162 N LEU A 13 12.424 14.305 -6.895 1.00 0.00 N ATOM 163 CA LEU A 13 12.146 14.728 -5.497 1.00 0.00 C ATOM 164 C LEU A 13 11.876 16.226 -5.463 1.00 0.00 C ATOM 165 O LEU A 13 10.824 16.685 -5.074 1.00 0.00 O ATOM 166 CB LEU A 13 13.403 14.439 -4.678 1.00 0.00 C ATOM 167 CG LEU A 13 13.321 15.105 -3.302 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.974 14.787 -2.659 1.00 0.00 C ATOM 169 CD2 LEU A 13 14.438 14.567 -2.420 1.00 0.00 C ATOM 0 H LEU A 13 13.193 13.642 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 13 11.281 14.197 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.525 13.362 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.281 14.803 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 13 13.424 16.184 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.917 15.262 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.171 15.164 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.871 13.708 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.385 15.038 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.328 13.488 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.402 14.789 -2.877 1.00 0.00 H new ATOM 181 N TYR A 14 12.844 16.969 -5.875 1.00 0.00 N ATOM 182 CA TYR A 14 12.728 18.455 -5.897 1.00 0.00 C ATOM 183 C TYR A 14 11.395 18.832 -6.520 1.00 0.00 C ATOM 184 O TYR A 14 10.666 19.658 -6.008 1.00 0.00 O ATOM 185 CB TYR A 14 13.883 19.021 -6.715 1.00 0.00 C ATOM 186 CG TYR A 14 15.108 18.185 -6.436 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.722 18.224 -5.178 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.614 17.361 -7.430 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.849 17.432 -4.927 1.00 0.00 C ATOM 190 CE2 TYR A 14 16.736 16.569 -7.188 1.00 0.00 C ATOM 191 CZ TYR A 14 17.357 16.603 -5.934 1.00 0.00 C ATOM 192 OH TYR A 14 18.468 15.820 -5.691 1.00 0.00 O ATOM 0 H TYR A 14 13.738 16.609 -6.208 1.00 0.00 H new ATOM 0 HA TYR A 14 12.774 18.864 -4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.642 19.001 -7.778 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.064 20.062 -6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.327 18.864 -4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.136 17.332 -8.398 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.325 17.461 -3.958 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.125 15.930 -7.967 1.00 0.00 H new ATOM 0 HH TYR A 14 18.687 15.305 -6.495 1.00 0.00 H new ATOM 202 N GLN A 15 11.056 18.205 -7.603 1.00 0.00 N ATOM 203 CA GLN A 15 9.746 18.506 -8.227 1.00 0.00 C ATOM 204 C GLN A 15 8.667 18.073 -7.247 1.00 0.00 C ATOM 205 O GLN A 15 7.631 18.688 -7.146 1.00 0.00 O ATOM 206 CB GLN A 15 9.594 17.753 -9.552 1.00 0.00 C ATOM 207 CG GLN A 15 10.481 18.399 -10.616 1.00 0.00 C ATOM 208 CD GLN A 15 10.101 17.850 -11.979 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.856 17.888 -12.333 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 10.939 17.384 -12.724 1.00 0.00 N flip ATOM 0 H GLN A 15 11.622 17.504 -8.080 1.00 0.00 H new ATOM 0 HA GLN A 15 9.664 19.571 -8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.870 16.707 -9.421 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.553 17.770 -9.874 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.360 19.482 -10.600 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.531 18.193 -10.407 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.918 17.358 -12.438 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.664 17.019 -13.636 1.00 0.00 H new ATOM 219 N LEU A 16 8.915 17.041 -6.484 1.00 0.00 N ATOM 220 CA LEU A 16 7.887 16.619 -5.490 1.00 0.00 C ATOM 221 C LEU A 16 7.890 17.626 -4.349 1.00 0.00 C ATOM 222 O LEU A 16 6.871 17.926 -3.758 1.00 0.00 O ATOM 223 CB LEU A 16 8.204 15.213 -4.933 1.00 0.00 C ATOM 224 CG LEU A 16 7.272 14.161 -5.540 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.573 14.009 -7.023 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.487 12.821 -4.833 1.00 0.00 C ATOM 0 H LEU A 16 9.768 16.482 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 16 6.911 16.581 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.240 14.956 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.099 15.215 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 16 6.236 14.476 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.909 13.260 -7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.418 14.964 -7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.608 13.694 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.824 12.071 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.523 12.505 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.268 12.931 -3.771 1.00 0.00 H new ATOM 238 N GLU A 17 9.038 18.129 -4.026 1.00 0.00 N ATOM 239 CA GLU A 17 9.138 19.090 -2.920 1.00 0.00 C ATOM 240 C GLU A 17 8.374 20.361 -3.252 1.00 0.00 C ATOM 241 O GLU A 17 7.758 20.983 -2.409 1.00 0.00 O ATOM 242 CB GLU A 17 10.595 19.453 -2.713 1.00 0.00 C ATOM 243 CG GLU A 17 11.416 18.213 -2.311 1.00 0.00 C ATOM 244 CD GLU A 17 12.625 18.634 -1.469 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.468 18.762 -0.266 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.686 18.820 -2.042 1.00 0.00 O ATOM 0 H GLU A 17 9.920 17.910 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 17 8.718 18.637 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.001 19.882 -3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.678 20.216 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.792 17.521 -1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.751 17.684 -3.203 1.00 0.00 H new ATOM 253 N ASN A 18 8.440 20.748 -4.476 1.00 0.00 N ATOM 254 CA ASN A 18 7.756 21.991 -4.923 1.00 0.00 C ATOM 255 C ASN A 18 6.310 21.998 -4.431 1.00 0.00 C ATOM 256 O ASN A 18 5.743 23.027 -4.121 1.00 0.00 O ATOM 257 CB ASN A 18 7.762 22.004 -6.465 1.00 0.00 C ATOM 258 CG ASN A 18 8.879 22.911 -6.996 1.00 0.00 C ATOM 259 OD1 ASN A 18 9.789 22.407 -7.784 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 8.921 24.086 -6.692 1.00 0.00 N flip ATOM 0 H ASN A 18 8.947 20.252 -5.209 1.00 0.00 H new ATOM 0 HA ASN A 18 8.269 22.865 -4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.900 20.990 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.798 22.353 -6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.209 24.479 -6.076 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.668 24.680 -7.053 1.00 0.00 H new ATOM 267 N TYR A 19 5.708 20.861 -4.427 1.00 0.00 N ATOM 268 CA TYR A 19 4.276 20.755 -4.035 1.00 0.00 C ATOM 269 C TYR A 19 4.090 20.551 -2.532 1.00 0.00 C ATOM 270 O TYR A 19 2.982 20.379 -2.076 1.00 0.00 O ATOM 271 CB TYR A 19 3.687 19.574 -4.789 1.00 0.00 C ATOM 272 CG TYR A 19 4.089 19.687 -6.243 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.655 20.774 -6.998 1.00 0.00 C ATOM 274 CD2 TYR A 19 4.901 18.718 -6.825 1.00 0.00 C ATOM 275 CE1 TYR A 19 4.032 20.896 -8.341 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.283 18.833 -8.170 1.00 0.00 C ATOM 277 CZ TYR A 19 4.849 19.925 -8.927 1.00 0.00 C ATOM 278 OH TYR A 19 5.223 20.042 -10.250 1.00 0.00 O ATOM 0 H TYR A 19 6.148 19.977 -4.682 1.00 0.00 H new ATOM 0 HA TYR A 19 3.772 21.689 -4.284 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.049 18.636 -4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.601 19.568 -4.695 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.025 21.526 -6.546 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.238 17.875 -6.240 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.692 21.739 -8.923 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.912 18.079 -8.620 1.00 0.00 H new ATOM 0 HH TYR A 19 5.791 19.283 -10.498 1.00 0.00 H new ATOM 288 N CYS A 20 5.121 20.561 -1.739 1.00 0.00 N ATOM 289 CA CYS A 20 4.881 20.370 -0.282 1.00 0.00 C ATOM 290 C CYS A 20 4.312 21.646 0.324 1.00 0.00 C ATOM 291 O CYS A 20 4.979 22.359 1.047 1.00 0.00 O ATOM 292 CB CYS A 20 6.162 20.033 0.432 1.00 0.00 C ATOM 293 SG CYS A 20 6.892 18.565 -0.308 1.00 0.00 S ATOM 0 H CYS A 20 6.092 20.689 -2.023 1.00 0.00 H new ATOM 0 HA CYS A 20 4.174 19.549 -0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.858 20.870 0.368 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.967 19.861 1.490 1.00 0.00 H new ATOM 298 N ASN A 21 3.082 21.927 0.042 1.00 0.00 N ATOM 299 CA ASN A 21 2.441 23.145 0.603 1.00 0.00 C ATOM 300 C ASN A 21 3.322 24.365 0.313 1.00 0.00 C ATOM 301 O ASN A 21 3.267 25.311 1.081 1.00 0.00 O ATOM 302 CB ASN A 21 2.278 22.965 2.113 1.00 0.00 C ATOM 303 CG ASN A 21 1.574 24.185 2.710 1.00 0.00 C ATOM 304 OD1 ASN A 21 2.079 24.806 3.624 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.419 24.557 2.228 1.00 0.00 N ATOM 306 OXT ASN A 21 4.037 24.330 -0.675 1.00 0.00 O ATOM 0 H ASN A 21 2.482 21.362 -0.559 1.00 0.00 H new ATOM 0 HA ASN A 21 1.463 23.298 0.146 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.701 22.064 2.320 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.254 22.833 2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.059 25.369 2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.005 24.036 1.461 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 16.407 9.543 -4.278 1.00 0.00 N ATOM 315 CA PHE B 22 14.945 9.302 -4.438 1.00 0.00 C ATOM 316 C PHE B 22 14.731 8.175 -5.456 1.00 0.00 C ATOM 317 O PHE B 22 15.364 7.141 -5.390 1.00 0.00 O ATOM 318 CB PHE B 22 14.271 10.597 -4.922 1.00 0.00 C ATOM 319 CG PHE B 22 12.804 10.598 -4.535 1.00 0.00 C ATOM 320 CD1 PHE B 22 12.439 10.683 -3.185 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.811 10.512 -5.522 1.00 0.00 C ATOM 322 CE1 PHE B 22 11.087 10.682 -2.823 1.00 0.00 C ATOM 323 CE2 PHE B 22 10.459 10.511 -5.158 1.00 0.00 C ATOM 324 CZ PHE B 22 10.097 10.596 -3.808 1.00 0.00 C ATOM 0 HA PHE B 22 14.504 9.008 -3.486 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.771 11.461 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.370 10.685 -6.004 1.00 0.00 H new ATOM 0 HD1 PHE B 22 13.202 10.749 -2.423 1.00 0.00 H new ATOM 0 HD2 PHE B 22 12.090 10.447 -6.563 1.00 0.00 H new ATOM 0 HE1 PHE B 22 10.808 10.748 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.695 10.445 -5.919 1.00 0.00 H new ATOM 0 HZ PHE B 22 9.054 10.595 -3.527 1.00 0.00 H new ATOM 336 N VAL B 23 13.839 8.361 -6.394 1.00 0.00 N ATOM 337 CA VAL B 23 13.584 7.296 -7.406 1.00 0.00 C ATOM 338 C VAL B 23 13.145 7.931 -8.729 1.00 0.00 C ATOM 339 O VAL B 23 12.795 9.092 -8.790 1.00 0.00 O ATOM 340 CB VAL B 23 12.478 6.381 -6.890 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.285 7.236 -6.489 1.00 0.00 C ATOM 342 CG2 VAL B 23 12.060 5.390 -7.983 1.00 0.00 C ATOM 0 H VAL B 23 13.277 9.205 -6.502 1.00 0.00 H new ATOM 0 HA VAL B 23 14.496 6.722 -7.572 1.00 0.00 H new ATOM 0 HB VAL B 23 12.840 5.818 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.486 6.594 -6.118 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.584 7.933 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.930 7.794 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.270 4.742 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL B 23 11.694 5.939 -8.851 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.919 4.784 -8.273 1.00 0.00 H new ATOM 352 N ASN B 24 13.154 7.158 -9.784 1.00 0.00 N ATOM 353 CA ASN B 24 12.733 7.664 -11.125 1.00 0.00 C ATOM 354 C ASN B 24 11.600 6.771 -11.634 1.00 0.00 C ATOM 355 O ASN B 24 11.782 5.972 -12.531 1.00 0.00 O ATOM 356 CB ASN B 24 13.923 7.582 -12.086 1.00 0.00 C ATOM 357 CG ASN B 24 14.862 8.766 -11.845 1.00 0.00 C ATOM 358 OD1 ASN B 24 15.904 8.616 -11.239 1.00 0.00 O ATOM 359 ND2 ASN B 24 14.534 9.945 -12.298 1.00 0.00 N ATOM 0 H ASN B 24 13.441 6.179 -9.772 1.00 0.00 H new ATOM 0 HA ASN B 24 12.396 8.698 -11.059 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.459 6.644 -11.938 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.571 7.588 -13.118 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.153 10.741 -12.143 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.659 10.071 -12.807 1.00 0.00 H new ATOM 366 N GLN B 25 10.436 6.884 -11.040 1.00 0.00 N ATOM 367 CA GLN B 25 9.275 6.031 -11.447 1.00 0.00 C ATOM 368 C GLN B 25 8.106 6.910 -11.905 1.00 0.00 C ATOM 369 O GLN B 25 8.096 8.110 -11.718 1.00 0.00 O ATOM 370 CB GLN B 25 8.837 5.206 -10.220 1.00 0.00 C ATOM 371 CG GLN B 25 9.601 3.878 -10.175 1.00 0.00 C ATOM 372 CD GLN B 25 9.163 3.077 -8.950 1.00 0.00 C ATOM 373 OE1 GLN B 25 8.616 3.697 -7.943 1.00 0.00 O flip ATOM 374 NE2 GLN B 25 9.322 1.873 -8.909 1.00 0.00 N flip ATOM 0 H GLN B 25 10.239 7.538 -10.282 1.00 0.00 H new ATOM 0 HA GLN B 25 9.566 5.379 -12.271 1.00 0.00 H new ATOM 0 HB2 GLN B 25 9.023 5.772 -9.307 1.00 0.00 H new ATOM 0 HB3 GLN B 25 7.765 5.016 -10.265 1.00 0.00 H new ATOM 0 HG2 GLN B 25 9.411 3.306 -11.083 1.00 0.00 H new ATOM 0 HG3 GLN B 25 10.674 4.065 -10.135 1.00 0.00 H new ATOM 0 HE21 GLN B 25 9.750 1.388 -9.698 1.00 0.00 H new ATOM 0 HE22 GLN B 25 9.027 1.347 -8.086 1.00 0.00 H new ATOM 383 N HIS B 26 7.106 6.294 -12.478 1.00 0.00 N ATOM 384 CA HIS B 26 5.902 7.047 -12.929 1.00 0.00 C ATOM 385 C HIS B 26 4.909 7.053 -11.768 1.00 0.00 C ATOM 386 O HIS B 26 4.136 6.133 -11.593 1.00 0.00 O ATOM 387 CB HIS B 26 5.281 6.341 -14.146 1.00 0.00 C ATOM 388 CG HIS B 26 5.955 6.805 -15.410 1.00 0.00 C ATOM 389 ND1 HIS B 26 5.418 7.807 -16.206 1.00 0.00 N ATOM 390 CD2 HIS B 26 7.119 6.417 -16.028 1.00 0.00 C ATOM 391 CE1 HIS B 26 6.248 7.987 -17.249 1.00 0.00 C ATOM 392 NE2 HIS B 26 7.296 7.165 -17.186 1.00 0.00 N ATOM 0 H HIS B 26 7.073 5.290 -12.654 1.00 0.00 H new ATOM 0 HA HIS B 26 6.163 8.066 -13.217 1.00 0.00 H new ATOM 0 HB2 HIS B 26 5.387 5.261 -14.043 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.213 6.554 -14.194 1.00 0.00 H new ATOM 0 HD1 HIS B 26 4.551 8.315 -16.032 1.00 0.00 H new ATOM 0 HD2 HIS B 26 7.791 5.651 -15.670 1.00 0.00 H new ATOM 0 HE1 HIS B 26 6.086 8.707 -18.038 1.00 0.00 H new ATOM 400 N LEU B 27 4.951 8.067 -10.955 1.00 0.00 N ATOM 401 CA LEU B 27 4.040 8.121 -9.780 1.00 0.00 C ATOM 402 C LEU B 27 2.683 8.697 -10.178 1.00 0.00 C ATOM 403 O LEU B 27 2.600 9.632 -10.943 1.00 0.00 O ATOM 404 CB LEU B 27 4.645 9.016 -8.698 1.00 0.00 C ATOM 405 CG LEU B 27 6.137 8.714 -8.495 1.00 0.00 C ATOM 406 CD1 LEU B 27 6.774 9.843 -7.682 1.00 0.00 C ATOM 407 CD2 LEU B 27 6.292 7.400 -7.728 1.00 0.00 C ATOM 0 H LEU B 27 5.579 8.865 -11.053 1.00 0.00 H new ATOM 0 HA LEU B 27 3.909 7.106 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU B 27 4.518 10.062 -8.975 1.00 0.00 H new ATOM 0 HB3 LEU B 27 4.111 8.868 -7.760 1.00 0.00 H new ATOM 0 HG LEU B 27 6.626 8.633 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.833 9.633 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.662 10.785 -8.218 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.281 9.916 -6.713 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.351 7.186 -7.584 1.00 0.00 H new ATOM 0 HD22 LEU B 27 5.804 7.486 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU B 27 5.832 6.591 -8.295 1.00 0.00 H new ATOM 419 N CYS B 28 1.613 8.161 -9.643 1.00 0.00 N ATOM 420 CA CYS B 28 0.261 8.697 -9.983 1.00 0.00 C ATOM 421 C CYS B 28 -0.635 8.678 -8.747 1.00 0.00 C ATOM 422 O CYS B 28 -0.850 7.652 -8.133 1.00 0.00 O ATOM 423 CB CYS B 28 -0.366 7.836 -11.081 1.00 0.00 C ATOM 424 SG CYS B 28 0.775 7.722 -12.481 1.00 0.00 S ATOM 0 H CYS B 28 1.618 7.379 -8.988 1.00 0.00 H new ATOM 0 HA CYS B 28 0.362 9.724 -10.334 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.587 6.841 -10.696 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -1.312 8.271 -11.403 1.00 0.00 H new ATOM 429 N GLY B 29 -1.175 9.817 -8.401 1.00 0.00 N ATOM 430 CA GLY B 29 -2.085 9.914 -7.225 1.00 0.00 C ATOM 431 C GLY B 29 -1.604 9.034 -6.068 1.00 0.00 C ATOM 432 O GLY B 29 -0.649 9.347 -5.397 1.00 0.00 O ATOM 0 H GLY B 29 -1.020 10.697 -8.893 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -2.144 10.951 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -3.092 9.614 -7.517 1.00 0.00 H new ATOM 436 N SER B 30 -2.285 7.948 -5.820 1.00 0.00 N ATOM 437 CA SER B 30 -1.906 7.046 -4.689 1.00 0.00 C ATOM 438 C SER B 30 -0.383 6.930 -4.554 1.00 0.00 C ATOM 439 O SER B 30 0.181 7.265 -3.532 1.00 0.00 O ATOM 440 CB SER B 30 -2.500 5.658 -4.931 1.00 0.00 C ATOM 441 OG SER B 30 -1.649 4.930 -5.807 1.00 0.00 O ATOM 0 H SER B 30 -3.096 7.642 -6.357 1.00 0.00 H new ATOM 0 HA SER B 30 -2.299 7.471 -3.765 1.00 0.00 H new ATOM 0 HB2 SER B 30 -2.609 5.126 -3.986 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.497 5.746 -5.364 1.00 0.00 H new ATOM 0 HG SER B 30 -0.984 4.437 -5.282 1.00 0.00 H new ATOM 447 N ASP B 31 0.286 6.455 -5.564 1.00 0.00 N ATOM 448 CA ASP B 31 1.766 6.318 -5.471 1.00 0.00 C ATOM 449 C ASP B 31 2.403 7.704 -5.332 1.00 0.00 C ATOM 450 O ASP B 31 3.300 7.909 -4.541 1.00 0.00 O ATOM 451 CB ASP B 31 2.291 5.631 -6.735 1.00 0.00 C ATOM 452 CG ASP B 31 1.325 4.521 -7.152 1.00 0.00 C ATOM 453 OD1 ASP B 31 1.324 3.488 -6.502 1.00 0.00 O ATOM 454 OD2 ASP B 31 0.602 4.721 -8.114 1.00 0.00 O ATOM 0 H ASP B 31 -0.125 6.156 -6.448 1.00 0.00 H new ATOM 0 HA ASP B 31 2.023 5.718 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.395 6.358 -7.540 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.282 5.215 -6.551 1.00 0.00 H new ATOM 459 N LEU B 32 1.942 8.648 -6.101 1.00 0.00 N ATOM 460 CA LEU B 32 2.504 10.030 -6.044 1.00 0.00 C ATOM 461 C LEU B 32 2.180 10.662 -4.706 1.00 0.00 C ATOM 462 O LEU B 32 3.058 10.969 -3.932 1.00 0.00 O ATOM 463 CB LEU B 32 1.876 10.826 -7.186 1.00 0.00 C ATOM 464 CG LEU B 32 2.182 12.322 -7.074 1.00 0.00 C ATOM 465 CD1 LEU B 32 3.713 12.555 -6.990 1.00 0.00 C ATOM 466 CD2 LEU B 32 1.578 13.018 -8.314 1.00 0.00 C ATOM 0 H LEU B 32 1.189 8.522 -6.777 1.00 0.00 H new ATOM 0 HA LEU B 32 3.589 10.016 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.248 10.450 -8.139 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.797 10.675 -7.183 1.00 0.00 H new ATOM 0 HG LEU B 32 1.744 12.738 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.915 13.623 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.111 12.045 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.191 12.161 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.779 14.088 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.027 12.606 -9.218 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.501 12.852 -8.336 1.00 0.00 H new ATOM 478 N VAL B 33 0.930 10.851 -4.425 1.00 0.00 N ATOM 479 CA VAL B 33 0.524 11.442 -3.124 1.00 0.00 C ATOM 480 C VAL B 33 1.400 10.853 -2.025 1.00 0.00 C ATOM 481 O VAL B 33 2.091 11.550 -1.310 1.00 0.00 O ATOM 482 CB VAL B 33 -0.928 11.057 -2.846 1.00 0.00 C ATOM 483 CG1 VAL B 33 -1.277 11.348 -1.376 1.00 0.00 C ATOM 484 CG2 VAL B 33 -1.836 11.848 -3.784 1.00 0.00 C ATOM 0 H VAL B 33 0.158 10.618 -5.049 1.00 0.00 H new ATOM 0 HA VAL B 33 0.631 12.526 -3.153 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.071 9.991 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.314 11.071 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.622 10.769 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.143 12.411 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -2.876 11.581 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.698 12.915 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.584 11.613 -4.818 1.00 0.00 H new ATOM 494 N GLU B 34 1.386 9.560 -1.913 1.00 0.00 N ATOM 495 CA GLU B 34 2.234 8.904 -0.888 1.00 0.00 C ATOM 496 C GLU B 34 3.666 9.385 -1.103 1.00 0.00 C ATOM 497 O GLU B 34 4.389 9.670 -0.168 1.00 0.00 O ATOM 498 CB GLU B 34 2.160 7.384 -1.045 1.00 0.00 C ATOM 499 CG GLU B 34 0.794 6.888 -0.567 1.00 0.00 C ATOM 500 CD GLU B 34 0.735 5.364 -0.675 1.00 0.00 C ATOM 501 OE1 GLU B 34 1.438 4.709 0.078 1.00 0.00 O ATOM 502 OE2 GLU B 34 -0.012 4.876 -1.507 1.00 0.00 O ATOM 0 H GLU B 34 0.825 8.929 -2.486 1.00 0.00 H new ATOM 0 HA GLU B 34 1.892 9.157 0.115 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.315 7.107 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.954 6.909 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.625 7.196 0.465 1.00 0.00 H new ATOM 0 HG3 GLU B 34 0.003 7.336 -1.168 1.00 0.00 H new ATOM 509 N ALA B 35 4.064 9.517 -2.342 1.00 0.00 N ATOM 510 CA ALA B 35 5.429 10.026 -2.633 1.00 0.00 C ATOM 511 C ALA B 35 5.542 11.414 -2.019 1.00 0.00 C ATOM 512 O ALA B 35 6.571 11.794 -1.522 1.00 0.00 O ATOM 513 CB ALA B 35 5.662 10.100 -4.156 1.00 0.00 C ATOM 0 H ALA B 35 3.500 9.293 -3.162 1.00 0.00 H new ATOM 0 HA ALA B 35 6.180 9.357 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA B 35 6.666 10.475 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA B 35 5.554 9.106 -4.589 1.00 0.00 H new ATOM 0 HB3 ALA B 35 4.930 10.772 -4.604 1.00 0.00 H new ATOM 519 N LEU B 36 4.487 12.182 -2.025 1.00 0.00 N ATOM 520 CA LEU B 36 4.584 13.524 -1.413 1.00 0.00 C ATOM 521 C LEU B 36 4.564 13.372 0.103 1.00 0.00 C ATOM 522 O LEU B 36 5.476 13.788 0.786 1.00 0.00 O ATOM 523 CB LEU B 36 3.422 14.378 -1.865 1.00 0.00 C ATOM 524 CG LEU B 36 3.619 14.772 -3.339 1.00 0.00 C ATOM 525 CD1 LEU B 36 2.273 15.254 -3.911 1.00 0.00 C ATOM 526 CD2 LEU B 36 4.710 15.877 -3.461 1.00 0.00 C ATOM 0 H LEU B 36 3.579 11.939 -2.422 1.00 0.00 H new ATOM 0 HA LEU B 36 5.511 14.008 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.487 13.831 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.350 15.272 -1.245 1.00 0.00 H new ATOM 0 HG LEU B 36 3.959 13.909 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.402 15.536 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.539 14.451 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.924 16.116 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.839 16.146 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.402 16.756 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.653 15.502 -3.064 1.00 0.00 H new ATOM 538 N TYR B 37 3.542 12.750 0.636 1.00 0.00 N ATOM 539 CA TYR B 37 3.480 12.537 2.109 1.00 0.00 C ATOM 540 C TYR B 37 4.839 12.015 2.573 1.00 0.00 C ATOM 541 O TYR B 37 5.287 12.269 3.671 1.00 0.00 O ATOM 542 CB TYR B 37 2.406 11.502 2.423 1.00 0.00 C ATOM 543 CG TYR B 37 2.349 11.315 3.912 1.00 0.00 C ATOM 544 CD1 TYR B 37 3.260 10.465 4.543 1.00 0.00 C ATOM 545 CD2 TYR B 37 1.396 12.005 4.660 1.00 0.00 C ATOM 546 CE1 TYR B 37 3.215 10.301 5.931 1.00 0.00 C ATOM 547 CE2 TYR B 37 1.348 11.845 6.047 1.00 0.00 C ATOM 548 CZ TYR B 37 2.258 10.992 6.685 1.00 0.00 C ATOM 549 OH TYR B 37 2.213 10.833 8.055 1.00 0.00 O ATOM 0 H TYR B 37 2.749 12.381 0.112 1.00 0.00 H new ATOM 0 HA TYR B 37 3.239 13.470 2.618 1.00 0.00 H new ATOM 0 HB2 TYR B 37 1.439 11.833 2.045 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.635 10.557 1.931 1.00 0.00 H new ATOM 0 HD1 TYR B 37 3.998 9.935 3.960 1.00 0.00 H new ATOM 0 HD2 TYR B 37 0.695 12.663 4.167 1.00 0.00 H new ATOM 0 HE1 TYR B 37 3.917 9.643 6.421 1.00 0.00 H new ATOM 0 HE2 TYR B 37 0.610 12.379 6.627 1.00 0.00 H new ATOM 0 HH TYR B 37 1.492 11.384 8.425 1.00 0.00 H new ATOM 559 N LEU B 38 5.499 11.305 1.709 1.00 0.00 N ATOM 560 CA LEU B 38 6.839 10.767 2.024 1.00 0.00 C ATOM 561 C LEU B 38 7.841 11.920 1.954 1.00 0.00 C ATOM 562 O LEU B 38 8.662 12.111 2.829 1.00 0.00 O ATOM 563 CB LEU B 38 7.169 9.712 0.958 1.00 0.00 C ATOM 564 CG LEU B 38 8.503 8.998 1.276 1.00 0.00 C ATOM 565 CD1 LEU B 38 8.414 7.524 0.858 1.00 0.00 C ATOM 566 CD2 LEU B 38 9.667 9.654 0.506 1.00 0.00 C ATOM 0 H LEU B 38 5.156 11.071 0.777 1.00 0.00 H new ATOM 0 HA LEU B 38 6.877 10.318 3.017 1.00 0.00 H new ATOM 0 HB2 LEU B 38 6.364 8.979 0.906 1.00 0.00 H new ATOM 0 HB3 LEU B 38 7.231 10.187 -0.021 1.00 0.00 H new ATOM 0 HG LEU B 38 8.685 9.078 2.348 1.00 0.00 H new ATOM 0 HD11 LEU B 38 9.356 7.024 1.084 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.606 7.039 1.405 1.00 0.00 H new ATOM 0 HD13 LEU B 38 8.217 7.461 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU B 38 10.597 9.137 0.743 1.00 0.00 H new ATOM 0 HD22 LEU B 38 9.478 9.587 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU B 38 9.750 10.702 0.795 1.00 0.00 H new ATOM 578 N VAL B 39 7.761 12.686 0.903 1.00 0.00 N ATOM 579 CA VAL B 39 8.679 13.845 0.715 1.00 0.00 C ATOM 580 C VAL B 39 8.256 14.997 1.636 1.00 0.00 C ATOM 581 O VAL B 39 9.009 15.459 2.471 1.00 0.00 O ATOM 582 CB VAL B 39 8.569 14.297 -0.753 1.00 0.00 C ATOM 583 CG1 VAL B 39 9.169 15.687 -0.946 1.00 0.00 C ATOM 584 CG2 VAL B 39 9.293 13.298 -1.657 1.00 0.00 C ATOM 0 H VAL B 39 7.085 12.555 0.151 1.00 0.00 H new ATOM 0 HA VAL B 39 9.703 13.561 0.956 1.00 0.00 H new ATOM 0 HB VAL B 39 7.513 14.337 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL B 39 9.078 15.981 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.637 16.403 -0.320 1.00 0.00 H new ATOM 0 HG13 VAL B 39 10.222 15.671 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL B 39 9.213 13.622 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL B 39 10.344 13.246 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL B 39 8.839 12.313 -1.548 1.00 0.00 H new ATOM 594 N CYS B 40 7.065 15.482 1.446 1.00 0.00 N ATOM 595 CA CYS B 40 6.561 16.632 2.247 1.00 0.00 C ATOM 596 C CYS B 40 6.348 16.253 3.714 1.00 0.00 C ATOM 597 O CYS B 40 6.757 16.962 4.610 1.00 0.00 O ATOM 598 CB CYS B 40 5.227 17.030 1.643 1.00 0.00 C ATOM 599 SG CYS B 40 5.441 17.182 -0.143 1.00 0.00 S ATOM 0 H CYS B 40 6.405 15.124 0.756 1.00 0.00 H new ATOM 0 HA CYS B 40 7.289 17.443 2.222 1.00 0.00 H new ATOM 0 HB2 CYS B 40 4.467 16.283 1.873 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.884 17.974 2.067 1.00 0.00 H new ATOM 604 N GLY B 41 5.712 15.150 3.971 1.00 0.00 N ATOM 605 CA GLY B 41 5.477 14.745 5.385 1.00 0.00 C ATOM 606 C GLY B 41 4.590 15.770 6.100 1.00 0.00 C ATOM 607 O GLY B 41 3.443 15.966 5.751 1.00 0.00 O ATOM 0 H GLY B 41 5.344 14.510 3.267 1.00 0.00 H new ATOM 0 HA2 GLY B 41 5.004 13.764 5.414 1.00 0.00 H new ATOM 0 HA3 GLY B 41 6.430 14.655 5.906 1.00 0.00 H new ATOM 611 N GLU B 42 5.108 16.399 7.118 1.00 0.00 N ATOM 612 CA GLU B 42 4.299 17.387 7.891 1.00 0.00 C ATOM 613 C GLU B 42 3.905 18.588 7.025 1.00 0.00 C ATOM 614 O GLU B 42 2.789 19.064 7.090 1.00 0.00 O ATOM 615 CB GLU B 42 5.118 17.875 9.089 1.00 0.00 C ATOM 616 CG GLU B 42 4.354 18.980 9.823 1.00 0.00 C ATOM 617 CD GLU B 42 4.982 19.211 11.198 1.00 0.00 C ATOM 618 OE1 GLU B 42 5.391 18.239 11.812 1.00 0.00 O ATOM 619 OE2 GLU B 42 5.044 20.356 11.614 1.00 0.00 O ATOM 0 H GLU B 42 6.064 16.271 7.451 1.00 0.00 H new ATOM 0 HA GLU B 42 3.385 16.896 8.226 1.00 0.00 H new ATOM 0 HB2 GLU B 42 5.317 17.045 9.767 1.00 0.00 H new ATOM 0 HB3 GLU B 42 6.084 18.250 8.752 1.00 0.00 H new ATOM 0 HG2 GLU B 42 4.379 19.901 9.241 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.306 18.700 9.933 1.00 0.00 H new ATOM 626 N ARG B 43 4.806 19.103 6.239 1.00 0.00 N ATOM 627 CA ARG B 43 4.461 20.293 5.410 1.00 0.00 C ATOM 628 C ARG B 43 3.142 20.068 4.666 1.00 0.00 C ATOM 629 O ARG B 43 2.532 21.004 4.193 1.00 0.00 O ATOM 630 CB ARG B 43 5.571 20.569 4.385 1.00 0.00 C ATOM 631 CG ARG B 43 6.937 20.285 4.995 1.00 0.00 C ATOM 632 CD ARG B 43 8.046 20.804 4.055 1.00 0.00 C ATOM 633 NE ARG B 43 8.703 19.643 3.391 1.00 0.00 N ATOM 634 CZ ARG B 43 9.527 19.837 2.398 1.00 0.00 C ATOM 635 NH1 ARG B 43 9.796 21.050 2.000 1.00 0.00 N ATOM 636 NH2 ARG B 43 10.081 18.817 1.801 1.00 0.00 N ATOM 0 H ARG B 43 5.759 18.756 6.133 1.00 0.00 H new ATOM 0 HA ARG B 43 4.358 21.149 6.077 1.00 0.00 H new ATOM 0 HB2 ARG B 43 5.423 19.947 3.502 1.00 0.00 H new ATOM 0 HB3 ARG B 43 5.521 21.607 4.055 1.00 0.00 H new ATOM 0 HG2 ARG B 43 7.018 20.767 5.969 1.00 0.00 H new ATOM 0 HG3 ARG B 43 7.057 19.214 5.158 1.00 0.00 H new ATOM 0 HD2 ARG B 43 7.622 21.475 3.308 1.00 0.00 H new ATOM 0 HD3 ARG B 43 8.780 21.379 4.620 1.00 0.00 H new ATOM 0 HE ARG B 43 8.508 18.695 3.713 1.00 0.00 H new ATOM 0 HH11 ARG B 43 9.362 21.847 2.465 1.00 0.00 H new ATOM 0 HH12 ARG B 43 10.440 21.201 1.224 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.870 17.868 2.111 1.00 0.00 H new ATOM 0 HH22 ARG B 43 10.725 18.969 1.025 1.00 0.00 H new ATOM 650 N GLY B 44 2.703 18.847 4.524 1.00 0.00 N ATOM 651 CA GLY B 44 1.437 18.622 3.766 1.00 0.00 C ATOM 652 C GLY B 44 1.752 18.834 2.286 1.00 0.00 C ATOM 653 O GLY B 44 2.885 19.078 1.932 1.00 0.00 O ATOM 0 H GLY B 44 3.155 18.010 4.892 1.00 0.00 H new ATOM 0 HA2 GLY B 44 1.060 17.614 3.938 1.00 0.00 H new ATOM 0 HA3 GLY B 44 0.662 19.314 4.097 1.00 0.00 H new ATOM 657 N PHE B 45 0.796 18.746 1.403 1.00 0.00 N ATOM 658 CA PHE B 45 1.149 18.945 -0.032 1.00 0.00 C ATOM 659 C PHE B 45 -0.111 19.142 -0.902 1.00 0.00 C ATOM 660 O PHE B 45 -1.221 18.952 -0.434 1.00 0.00 O ATOM 661 CB PHE B 45 1.897 17.707 -0.505 1.00 0.00 C ATOM 662 CG PHE B 45 1.143 16.470 -0.095 1.00 0.00 C ATOM 663 CD1 PHE B 45 0.141 15.959 -0.915 1.00 0.00 C ATOM 664 CD2 PHE B 45 1.462 15.831 1.103 1.00 0.00 C ATOM 665 CE1 PHE B 45 -0.547 14.798 -0.536 1.00 0.00 C ATOM 666 CE2 PHE B 45 0.779 14.675 1.487 1.00 0.00 C ATOM 667 CZ PHE B 45 -0.224 14.157 0.668 1.00 0.00 C ATOM 0 H PHE B 45 -0.185 18.551 1.602 1.00 0.00 H new ATOM 0 HA PHE B 45 1.763 19.841 -0.128 1.00 0.00 H new ATOM 0 HB2 PHE B 45 2.012 17.732 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE B 45 2.900 17.691 -0.078 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.106 16.456 -1.841 1.00 0.00 H new ATOM 0 HD2 PHE B 45 2.240 16.232 1.736 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -1.324 14.398 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE B 45 1.027 14.183 2.416 1.00 0.00 H new ATOM 0 HZ PHE B 45 -0.752 13.262 0.962 1.00 0.00 H new HETATM 677 N 23F B 46 0.040 19.534 -2.259 1.00 0.00 N HETATM 678 CA 23F B 46 -1.076 19.715 -3.107 1.00 0.00 C HETATM 679 C 23F B 46 -1.900 18.518 -3.493 1.00 0.00 C HETATM 680 CB 23F B 46 -1.424 20.975 -3.622 1.00 0.00 C HETATM 681 CG 23F B 46 -0.657 22.266 -3.424 1.00 0.00 C HETATM 682 CD1 23F B 46 0.626 22.394 -2.686 1.00 0.00 C HETATM 683 CD2 23F B 46 -1.203 23.469 -4.077 1.00 0.00 C HETATM 684 CE1 23F B 46 1.306 23.666 -2.636 1.00 0.00 C HETATM 685 CE2 23F B 46 -0.517 24.706 -4.010 1.00 0.00 C HETATM 686 CZ 23F B 46 0.738 24.821 -3.297 1.00 0.00 C HETATM 687 O 23F B 46 -1.609 17.883 -4.488 1.00 0.00 O HETATM 0 HZ 23F B 46 1.256 25.779 -3.258 1.00 0.00 H new HETATM 0 HE2 23F B 46 -0.939 25.583 -4.501 1.00 0.00 H new HETATM 0 HE1 23F B 46 2.250 23.757 -2.099 1.00 0.00 H new HETATM 0 HD2 23F B 46 -2.147 23.406 -4.618 1.00 0.00 H new HETATM 0 HD1 23F B 46 1.054 21.527 -2.182 1.00 0.00 H new HETATM 0 HB 23F B 46 -2.333 21.029 -4.221 1.00 0.00 H new ATOM 695 N TYR B 47 -3.019 18.145 -2.736 1.00 0.00 N ATOM 696 CA TYR B 47 -3.869 16.966 -3.139 1.00 0.00 C ATOM 697 C TYR B 47 -5.056 16.871 -2.169 1.00 0.00 C ATOM 698 O TYR B 47 -4.959 16.287 -1.108 1.00 0.00 O ATOM 699 CB TYR B 47 -3.042 15.641 -3.105 1.00 0.00 C ATOM 700 CG TYR B 47 -3.039 14.969 -4.468 1.00 0.00 C ATOM 701 CD1 TYR B 47 -4.234 14.458 -4.989 1.00 0.00 C ATOM 702 CD2 TYR B 47 -1.844 14.841 -5.201 1.00 0.00 C ATOM 703 CE1 TYR B 47 -4.241 13.825 -6.237 1.00 0.00 C ATOM 704 CE2 TYR B 47 -1.855 14.204 -6.447 1.00 0.00 C ATOM 705 CZ TYR B 47 -3.053 13.698 -6.965 1.00 0.00 C ATOM 706 OH TYR B 47 -3.062 13.070 -8.194 1.00 0.00 O ATOM 0 H TYR B 47 -3.328 18.625 -1.891 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.224 17.108 -4.160 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.018 15.854 -2.798 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.463 14.964 -2.362 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.151 14.553 -4.427 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.920 15.234 -4.802 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.164 13.434 -6.639 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.939 14.103 -7.009 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.663 13.549 -8.802 1.00 0.00 H new ATOM 716 N THR B 48 -6.176 17.440 -2.529 1.00 0.00 N ATOM 717 CA THR B 48 -7.369 17.385 -1.633 1.00 0.00 C ATOM 718 C THR B 48 -8.641 17.492 -2.477 1.00 0.00 C ATOM 719 O THR B 48 -8.925 18.517 -3.064 1.00 0.00 O ATOM 720 CB THR B 48 -7.319 18.549 -0.640 1.00 0.00 C ATOM 721 OG1 THR B 48 -7.164 19.769 -1.351 1.00 0.00 O ATOM 722 CG2 THR B 48 -6.141 18.361 0.318 1.00 0.00 C ATOM 0 H THR B 48 -6.317 17.941 -3.406 1.00 0.00 H new ATOM 0 HA THR B 48 -7.370 16.442 -1.086 1.00 0.00 H new ATOM 0 HB THR B 48 -8.246 18.576 -0.067 1.00 0.00 H new ATOM 0 HG1 THR B 48 -7.733 19.757 -2.149 1.00 0.00 H new ATOM 0 HG21 THR B 48 -6.109 19.192 1.023 1.00 0.00 H new ATOM 0 HG22 THR B 48 -6.262 17.426 0.864 1.00 0.00 H new ATOM 0 HG23 THR B 48 -5.211 18.331 -0.250 1.00 0.00 H new ATOM 730 N LYS B 49 -9.410 16.439 -2.543 1.00 0.00 N ATOM 731 CA LYS B 49 -10.663 16.476 -3.349 1.00 0.00 C ATOM 732 C LYS B 49 -10.378 17.082 -4.729 1.00 0.00 C ATOM 733 O LYS B 49 -10.783 18.194 -5.005 1.00 0.00 O ATOM 734 CB LYS B 49 -11.697 17.337 -2.637 1.00 0.00 C ATOM 735 CG LYS B 49 -11.727 16.982 -1.149 1.00 0.00 C ATOM 736 CD LYS B 49 -12.975 17.587 -0.504 1.00 0.00 C ATOM 737 CE LYS B 49 -13.084 17.109 0.945 1.00 0.00 C ATOM 738 NZ LYS B 49 -11.781 17.322 1.636 1.00 0.00 N ATOM 0 H LYS B 49 -9.224 15.553 -2.073 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.040 15.460 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -11.455 18.392 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.681 17.180 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.728 15.899 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.831 17.359 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.922 18.675 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -13.864 17.294 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -13.875 17.654 1.461 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -13.354 16.053 0.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -11.946 17.462 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -11.173 16.490 1.495 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -11.313 18.163 1.243 1.00 0.00 H new ATOM 752 N PRO B 50 -9.680 16.346 -5.556 1.00 0.00 N ATOM 753 CA PRO B 50 -9.331 16.817 -6.900 1.00 0.00 C ATOM 754 C PRO B 50 -10.596 17.191 -7.683 1.00 0.00 C ATOM 755 O PRO B 50 -10.742 18.300 -8.157 1.00 0.00 O ATOM 756 CB PRO B 50 -8.584 15.632 -7.544 1.00 0.00 C ATOM 757 CG PRO B 50 -8.252 14.646 -6.400 1.00 0.00 C ATOM 758 CD PRO B 50 -9.179 15.003 -5.227 1.00 0.00 C ATOM 0 HA PRO B 50 -8.716 17.717 -6.888 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -9.201 15.151 -8.303 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -7.674 15.971 -8.040 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -8.410 13.616 -6.719 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -7.206 14.732 -6.107 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -9.995 14.286 -5.132 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -8.641 15.000 -4.279 1.00 0.00 H new ATOM 766 N THR B 51 -11.507 16.270 -7.819 1.00 0.00 N ATOM 767 CA THR B 51 -12.762 16.562 -8.568 1.00 0.00 C ATOM 768 C THR B 51 -13.595 17.582 -7.790 1.00 0.00 C ATOM 769 O THR B 51 -13.584 17.522 -6.572 1.00 0.00 O ATOM 770 CB THR B 51 -13.565 15.270 -8.738 1.00 0.00 C ATOM 771 OG1 THR B 51 -14.806 15.564 -9.365 1.00 0.00 O ATOM 772 CG2 THR B 51 -13.819 14.640 -7.368 1.00 0.00 C ATOM 773 OXT THR B 51 -14.232 18.406 -8.426 1.00 0.00 O ATOM 0 H THR B 51 -11.437 15.324 -7.443 1.00 0.00 H new ATOM 0 HA THR B 51 -12.515 16.969 -9.549 1.00 0.00 H new ATOM 0 HB THR B 51 -13.002 14.571 -9.357 1.00 0.00 H new ATOM 0 HG1 THR B 51 -15.320 14.737 -9.476 1.00 0.00 H new ATOM 0 HG21 THR B 51 -14.391 13.720 -7.491 1.00 0.00 H new ATOM 0 HG22 THR B 51 -12.866 14.414 -6.889 1.00 0.00 H new ATOM 0 HG23 THR B 51 -14.381 15.336 -6.746 1.00 0.00 H new TER 781 THR B 51