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: B 48 THR OG1 : rot 160:sc= -0.798! USER MOD Set 1.2: B 49 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.109) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.0516 USER MOD Set 2.2: A 15 GLN :FLIP amide:sc= 0.0373 F(o=-0.62,f=0.089) USER MOD Set 3.1: A 5 GLN :FLIP amide:sc= -5.83! C(o=-6.7!,f=-5.8!) 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 173:sc= -0.516 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= -0.59 X(o=-0.59,f=-0.12) USER MOD Single : A 21 ASN : amide:sc= -0.926! C(o=-0.93!,f=-1!) USER MOD Single : B 24 ASN : amide:sc= -0.0472 X(o=-0.047,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= 0.538 K(o=0.54,f=-3.5!) 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= -0.233 USER MOD Single : B 51 THR OG1 : rot 1:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.103 20.237 -13.665 1.00 0.00 N ATOM 2 CA GLY A 1 0.310 19.781 -12.219 1.00 0.00 C ATOM 3 C GLY A 1 1.360 18.771 -11.905 1.00 0.00 C ATOM 4 O GLY A 1 1.943 18.173 -12.787 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.664 20.939 -13.701 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.981 20.664 -14.023 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.149 19.418 -14.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.525 20.669 -11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.641 19.383 -11.864 1.00 0.00 H new ATOM 10 N ILE A 2 1.632 18.555 -10.646 1.00 0.00 N ATOM 11 CA ILE A 2 2.674 17.559 -10.268 1.00 0.00 C ATOM 12 C ILE A 2 2.432 16.250 -11.030 1.00 0.00 C ATOM 13 O ILE A 2 3.348 15.518 -11.328 1.00 0.00 O ATOM 14 CB ILE A 2 2.615 17.317 -8.746 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.619 16.211 -8.348 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.186 16.927 -8.328 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.582 15.976 -6.843 1.00 0.00 C ATOM 0 H ILE A 2 1.177 19.026 -9.864 1.00 0.00 H new ATOM 0 HA ILE A 2 3.663 17.937 -10.529 1.00 0.00 H new ATOM 0 HB ILE A 2 2.888 18.236 -8.228 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.378 15.287 -8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.625 16.498 -8.653 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.155 16.758 -7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.498 17.731 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.891 16.015 -8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.295 15.194 -6.579 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.846 16.898 -6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.579 15.668 -6.547 1.00 0.00 H new ATOM 29 N VAL A 3 1.208 15.944 -11.343 1.00 0.00 N ATOM 30 CA VAL A 3 0.918 14.678 -12.069 1.00 0.00 C ATOM 31 C VAL A 3 1.637 14.654 -13.425 1.00 0.00 C ATOM 32 O VAL A 3 2.319 13.710 -13.752 1.00 0.00 O ATOM 33 CB VAL A 3 -0.594 14.568 -12.269 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.926 13.296 -13.047 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.272 14.513 -10.899 1.00 0.00 C ATOM 0 H VAL A 3 0.392 16.517 -11.127 1.00 0.00 H new ATOM 0 HA VAL A 3 1.279 13.831 -11.485 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.950 15.432 -12.830 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.005 13.225 -13.185 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.437 13.327 -14.021 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.574 12.427 -12.491 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.351 14.434 -11.030 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.909 13.645 -10.348 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.039 15.420 -10.341 1.00 0.00 H new ATOM 45 N GLU A 4 1.486 15.669 -14.222 1.00 0.00 N ATOM 46 CA GLU A 4 2.159 15.668 -15.556 1.00 0.00 C ATOM 47 C GLU A 4 3.648 15.340 -15.416 1.00 0.00 C ATOM 48 O GLU A 4 4.138 14.377 -15.967 1.00 0.00 O ATOM 49 CB GLU A 4 2.019 17.057 -16.193 1.00 0.00 C ATOM 50 CG GLU A 4 2.906 17.160 -17.450 1.00 0.00 C ATOM 51 CD GLU A 4 2.342 18.219 -18.404 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.188 18.095 -18.781 1.00 0.00 O ATOM 53 OE2 GLU A 4 3.075 19.135 -18.739 1.00 0.00 O ATOM 0 H GLU A 4 0.930 16.498 -14.014 1.00 0.00 H new ATOM 0 HA GLU A 4 1.687 14.910 -16.180 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.978 17.240 -16.458 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.304 17.825 -15.474 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.925 17.421 -17.165 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.953 16.194 -17.952 1.00 0.00 H new ATOM 60 N GLN A 5 4.380 16.157 -14.725 1.00 0.00 N ATOM 61 CA GLN A 5 5.843 15.920 -14.606 1.00 0.00 C ATOM 62 C GLN A 5 6.156 14.565 -13.953 1.00 0.00 C ATOM 63 O GLN A 5 7.080 13.886 -14.346 1.00 0.00 O ATOM 64 CB GLN A 5 6.472 17.038 -13.770 1.00 0.00 C ATOM 65 CG GLN A 5 6.197 18.397 -14.427 1.00 0.00 C ATOM 66 CD GLN A 5 4.772 18.849 -14.103 0.50 0.00 C ATOM 67 OE1 GLN A 5 4.321 18.705 -12.890 0.50 0.00 O flip ATOM 68 NE2 GLN A 5 4.065 19.337 -14.962 0.50 0.00 N flip ATOM 0 H GLN A 5 4.031 16.981 -14.235 1.00 0.00 H new ATOM 0 HA GLN A 5 6.260 15.911 -15.613 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.063 17.023 -12.760 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.546 16.878 -13.681 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.913 19.136 -14.069 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.328 18.323 -15.507 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.420 19.449 -15.912 0.50 0.00 H new ATOM 0 HE22 GLN A 5 3.117 19.635 -14.734 0.50 0.00 H new ATOM 77 N CYS A 6 5.431 14.190 -12.935 1.00 0.00 N ATOM 78 CA CYS A 6 5.721 12.898 -12.226 1.00 0.00 C ATOM 79 C CYS A 6 5.020 11.706 -12.894 1.00 0.00 C ATOM 80 O CYS A 6 5.600 10.651 -13.063 1.00 0.00 O ATOM 81 CB CYS A 6 5.239 13.042 -10.784 1.00 0.00 C ATOM 82 SG CYS A 6 5.610 14.715 -10.232 1.00 0.00 S ATOM 0 H CYS A 6 4.646 14.721 -12.558 1.00 0.00 H new ATOM 0 HA CYS A 6 6.792 12.700 -12.267 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.168 12.849 -10.720 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.733 12.312 -10.143 1.00 0.00 H new ATOM 87 N CYS A 7 3.771 11.841 -13.232 1.00 0.00 N ATOM 88 CA CYS A 7 3.038 10.694 -13.848 1.00 0.00 C ATOM 89 C CYS A 7 3.315 10.608 -15.354 1.00 0.00 C ATOM 90 O CYS A 7 3.706 9.573 -15.856 1.00 0.00 O ATOM 91 CB CYS A 7 1.540 10.875 -13.603 1.00 0.00 C ATOM 92 SG CYS A 7 0.652 9.391 -14.137 1.00 0.00 S ATOM 0 H CYS A 7 3.223 12.693 -13.110 1.00 0.00 H new ATOM 0 HA CYS A 7 3.383 9.767 -13.391 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.354 11.061 -12.545 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.175 11.745 -14.148 1.00 0.00 H new ATOM 97 N THR A 8 3.119 11.672 -16.085 1.00 0.00 N ATOM 98 CA THR A 8 3.381 11.613 -17.555 1.00 0.00 C ATOM 99 C THR A 8 4.891 11.540 -17.789 1.00 0.00 C ATOM 100 O THR A 8 5.359 10.993 -18.768 1.00 0.00 O ATOM 101 CB THR A 8 2.808 12.862 -18.233 1.00 0.00 C ATOM 102 OG1 THR A 8 1.527 13.145 -17.691 1.00 0.00 O ATOM 103 CG2 THR A 8 2.680 12.620 -19.734 1.00 0.00 C ATOM 0 H THR A 8 2.792 12.572 -15.734 1.00 0.00 H new ATOM 0 HA THR A 8 2.902 10.731 -17.980 1.00 0.00 H new ATOM 0 HB THR A 8 3.476 13.706 -18.059 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.207 14.004 -18.039 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.272 13.510 -20.213 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.662 12.401 -20.152 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.014 11.776 -19.911 1.00 0.00 H new ATOM 111 N SER A 9 5.650 12.082 -16.879 1.00 0.00 N ATOM 112 CA SER A 9 7.139 12.058 -16.995 1.00 0.00 C ATOM 113 C SER A 9 7.703 11.688 -15.628 1.00 0.00 C ATOM 114 O SER A 9 6.973 11.581 -14.670 1.00 0.00 O ATOM 115 CB SER A 9 7.643 13.442 -17.395 1.00 0.00 C ATOM 116 OG SER A 9 7.219 13.735 -18.720 1.00 0.00 O ATOM 0 H SER A 9 5.297 12.550 -16.044 1.00 0.00 H new ATOM 0 HA SER A 9 7.453 11.337 -17.750 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.261 14.194 -16.705 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.731 13.477 -17.334 1.00 0.00 H new ATOM 0 HG SER A 9 7.541 14.624 -18.977 1.00 0.00 H new ATOM 122 N ILE A 10 8.986 11.491 -15.511 1.00 0.00 N ATOM 123 CA ILE A 10 9.549 11.135 -14.173 1.00 0.00 C ATOM 124 C ILE A 10 9.870 12.420 -13.409 1.00 0.00 C ATOM 125 O ILE A 10 10.507 13.320 -13.919 1.00 0.00 O ATOM 126 CB ILE A 10 10.816 10.284 -14.335 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.490 9.064 -15.226 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.293 9.816 -12.948 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.522 7.945 -15.023 1.00 0.00 C ATOM 0 H ILE A 10 9.664 11.559 -16.270 1.00 0.00 H new ATOM 0 HA ILE A 10 8.816 10.552 -13.615 1.00 0.00 H new ATOM 0 HB ILE A 10 11.607 10.870 -14.803 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.493 8.692 -14.989 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.477 9.367 -16.273 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.193 9.211 -13.058 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.513 10.684 -12.327 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.511 9.221 -12.476 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.270 7.098 -15.661 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.514 8.313 -15.284 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.515 7.628 -13.980 1.00 0.00 H new ATOM 141 N CYS A 11 9.421 12.510 -12.185 1.00 0.00 N ATOM 142 CA CYS A 11 9.678 13.731 -11.365 1.00 0.00 C ATOM 143 C CYS A 11 10.927 13.529 -10.512 1.00 0.00 C ATOM 144 O CYS A 11 11.628 12.541 -10.615 1.00 0.00 O ATOM 145 CB CYS A 11 8.480 13.974 -10.430 1.00 0.00 C ATOM 146 SG CYS A 11 7.332 15.143 -11.182 1.00 0.00 S ATOM 0 H CYS A 11 8.882 11.783 -11.714 1.00 0.00 H new ATOM 0 HA CYS A 11 9.820 14.583 -12.029 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.971 13.032 -10.227 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.829 14.360 -9.472 1.00 0.00 H new ATOM 151 N SER A 12 11.176 14.468 -9.647 1.00 0.00 N ATOM 152 CA SER A 12 12.336 14.387 -8.729 1.00 0.00 C ATOM 153 C SER A 12 11.865 14.843 -7.348 1.00 0.00 C ATOM 154 O SER A 12 10.927 15.600 -7.214 1.00 0.00 O ATOM 155 CB SER A 12 13.467 15.299 -9.251 1.00 0.00 C ATOM 156 OG SER A 12 13.117 15.778 -10.543 1.00 0.00 O ATOM 0 H SER A 12 10.608 15.308 -9.537 1.00 0.00 H new ATOM 0 HA SER A 12 12.723 13.370 -8.670 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.622 16.135 -8.569 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.406 14.747 -9.296 1.00 0.00 H new ATOM 0 HG SER A 12 13.830 16.360 -10.881 1.00 0.00 H new ATOM 162 N LEU A 13 12.515 14.390 -6.329 1.00 0.00 N ATOM 163 CA LEU A 13 12.144 14.785 -4.945 1.00 0.00 C ATOM 164 C LEU A 13 11.876 16.282 -4.901 1.00 0.00 C ATOM 165 O LEU A 13 10.803 16.740 -4.575 1.00 0.00 O ATOM 166 CB LEU A 13 13.342 14.474 -4.052 1.00 0.00 C ATOM 167 CG LEU A 13 13.174 15.112 -2.671 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.787 14.781 -2.123 1.00 0.00 C ATOM 169 CD2 LEU A 13 14.232 14.552 -1.732 1.00 0.00 C ATOM 0 H LEU A 13 13.306 13.749 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 13 11.253 14.251 -4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.452 13.395 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.255 14.844 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 13 13.285 16.193 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.667 15.235 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.026 15.172 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.677 13.700 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.118 15.002 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.113 13.471 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.223 14.781 -2.123 1.00 0.00 H new ATOM 181 N TYR A 14 12.874 17.026 -5.231 1.00 0.00 N ATOM 182 CA TYR A 14 12.769 18.513 -5.234 1.00 0.00 C ATOM 183 C TYR A 14 11.481 18.913 -5.932 1.00 0.00 C ATOM 184 O TYR A 14 10.729 19.739 -5.455 1.00 0.00 O ATOM 185 CB TYR A 14 13.978 19.082 -5.969 1.00 0.00 C ATOM 186 CG TYR A 14 15.176 18.223 -5.640 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.724 18.235 -4.351 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.722 17.407 -6.621 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.827 17.424 -4.056 1.00 0.00 C ATOM 190 CE2 TYR A 14 16.820 16.598 -6.334 1.00 0.00 C ATOM 191 CZ TYR A 14 17.377 16.604 -5.049 1.00 0.00 C ATOM 192 OH TYR A 14 18.464 15.804 -4.761 1.00 0.00 O ATOM 0 H TYR A 14 13.787 16.666 -5.508 1.00 0.00 H new ATOM 0 HA TYR A 14 12.753 18.904 -4.217 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.800 19.091 -7.044 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.156 20.114 -5.667 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.297 18.868 -3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.294 17.399 -7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.253 17.431 -3.064 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.241 15.967 -7.102 1.00 0.00 H new ATOM 0 HH TYR A 14 18.719 15.298 -5.561 1.00 0.00 H new ATOM 202 N GLN A 15 11.204 18.304 -7.043 1.00 0.00 N ATOM 203 CA GLN A 15 9.941 18.626 -7.746 1.00 0.00 C ATOM 204 C GLN A 15 8.798 18.181 -6.848 1.00 0.00 C ATOM 205 O GLN A 15 7.760 18.800 -6.803 1.00 0.00 O ATOM 206 CB GLN A 15 9.877 17.900 -9.092 1.00 0.00 C ATOM 207 CG GLN A 15 10.845 18.556 -10.077 1.00 0.00 C ATOM 208 CD GLN A 15 10.567 18.031 -11.472 1.00 0.00 C ATOM 209 OE1 GLN A 15 9.354 18.086 -11.921 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 11.457 17.568 -12.158 1.00 0.00 N flip ATOM 0 H GLN A 15 11.792 17.602 -7.492 1.00 0.00 H new ATOM 0 HA GLN A 15 9.877 19.695 -7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.133 16.848 -8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.862 17.935 -9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.729 19.639 -10.053 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.875 18.340 -9.792 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.410 17.528 -11.798 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.251 17.220 -13.094 1.00 0.00 H new ATOM 219 N LEU A 16 8.991 17.133 -6.092 1.00 0.00 N ATOM 220 CA LEU A 16 7.900 16.695 -5.175 1.00 0.00 C ATOM 221 C LEU A 16 7.832 17.679 -4.016 1.00 0.00 C ATOM 222 O LEU A 16 6.779 17.965 -3.481 1.00 0.00 O ATOM 223 CB LEU A 16 8.177 15.278 -4.627 1.00 0.00 C ATOM 224 CG LEU A 16 7.292 14.239 -5.321 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.694 14.123 -6.783 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.462 12.882 -4.628 1.00 0.00 C ATOM 0 H LEU A 16 9.841 16.570 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 16 6.957 16.670 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.227 15.025 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.994 15.257 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 16 6.249 14.549 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.063 13.383 -7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.570 15.089 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.737 13.813 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.833 12.141 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.505 12.571 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.169 12.969 -3.582 1.00 0.00 H new ATOM 238 N GLU A 17 8.957 18.177 -3.617 1.00 0.00 N ATOM 239 CA GLU A 17 8.990 19.117 -2.488 1.00 0.00 C ATOM 240 C GLU A 17 8.258 20.399 -2.845 1.00 0.00 C ATOM 241 O GLU A 17 7.591 21.010 -2.033 1.00 0.00 O ATOM 242 CB GLU A 17 10.434 19.468 -2.182 1.00 0.00 C ATOM 243 CG GLU A 17 11.223 18.217 -1.752 1.00 0.00 C ATOM 244 CD GLU A 17 12.380 18.618 -0.831 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.121 18.888 0.330 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.505 18.647 -1.303 1.00 0.00 O ATOM 0 H GLU A 17 9.865 17.968 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 17 8.510 18.650 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.899 19.912 -3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.471 20.216 -1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.562 17.520 -1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.609 17.701 -2.631 1.00 0.00 H new ATOM 253 N ASN A 18 8.407 20.809 -4.054 1.00 0.00 N ATOM 254 CA ASN A 18 7.763 22.065 -4.521 1.00 0.00 C ATOM 255 C ASN A 18 6.288 22.074 -4.126 1.00 0.00 C ATOM 256 O ASN A 18 5.709 23.100 -3.829 1.00 0.00 O ATOM 257 CB ASN A 18 7.871 22.107 -6.058 1.00 0.00 C ATOM 258 CG ASN A 18 9.031 23.011 -6.495 1.00 0.00 C ATOM 259 OD1 ASN A 18 9.089 24.167 -6.127 1.00 0.00 O ATOM 260 ND2 ASN A 18 9.961 22.525 -7.271 1.00 0.00 N ATOM 0 H ASN A 18 8.958 20.323 -4.762 1.00 0.00 H new ATOM 0 HA ASN A 18 8.254 22.927 -4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.023 21.099 -6.445 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.937 22.474 -6.483 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.737 23.116 -7.569 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.912 21.554 -7.580 1.00 0.00 H new ATOM 267 N TYR A 19 5.679 20.943 -4.188 1.00 0.00 N ATOM 268 CA TYR A 19 4.225 20.840 -3.896 1.00 0.00 C ATOM 269 C TYR A 19 3.935 20.623 -2.412 1.00 0.00 C ATOM 270 O TYR A 19 2.797 20.466 -2.034 1.00 0.00 O ATOM 271 CB TYR A 19 3.683 19.671 -4.703 1.00 0.00 C ATOM 272 CG TYR A 19 4.177 19.805 -6.126 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.795 20.903 -6.892 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.023 18.841 -6.670 1.00 0.00 C ATOM 275 CE1 TYR A 19 4.256 21.044 -8.206 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.491 18.975 -7.986 1.00 0.00 C ATOM 277 CZ TYR A 19 5.108 20.080 -8.753 1.00 0.00 C ATOM 278 OH TYR A 19 5.565 20.215 -10.048 1.00 0.00 O ATOM 0 H TYR A 19 6.129 20.061 -4.433 1.00 0.00 H new ATOM 0 HA TYR A 19 3.743 21.779 -4.169 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.016 18.726 -4.273 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.593 19.666 -4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.139 21.650 -6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.319 17.988 -6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.954 21.896 -8.797 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.146 18.226 -8.406 1.00 0.00 H new ATOM 0 HH TYR A 19 6.147 19.459 -10.270 1.00 0.00 H new ATOM 288 N CYS A 20 4.909 20.608 -1.549 1.00 0.00 N ATOM 289 CA CYS A 20 4.563 20.408 -0.116 1.00 0.00 C ATOM 290 C CYS A 20 3.971 21.687 0.460 1.00 0.00 C ATOM 291 O CYS A 20 4.613 22.407 1.198 1.00 0.00 O ATOM 292 CB CYS A 20 5.781 20.047 0.690 1.00 0.00 C ATOM 293 SG CYS A 20 6.570 18.598 -0.025 1.00 0.00 S ATOM 0 H CYS A 20 5.900 20.722 -1.762 1.00 0.00 H new ATOM 0 HA CYS A 20 3.839 19.595 -0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.480 20.883 0.706 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.499 19.847 1.724 1.00 0.00 H new ATOM 298 N ASN A 21 2.749 21.963 0.134 1.00 0.00 N ATOM 299 CA ASN A 21 2.084 23.183 0.661 1.00 0.00 C ATOM 300 C ASN A 21 2.961 24.408 0.384 1.00 0.00 C ATOM 301 O ASN A 21 4.025 24.233 -0.186 1.00 0.00 O ATOM 302 CB ASN A 21 1.873 23.023 2.169 1.00 0.00 C ATOM 303 CG ASN A 21 1.344 24.333 2.758 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.365 24.874 2.285 1.00 0.00 O ATOM 305 ND2 ASN A 21 1.956 24.868 3.780 1.00 0.00 N ATOM 306 OXT ASN A 21 2.552 25.499 0.746 1.00 0.00 O ATOM 0 H ASN A 21 2.172 21.391 -0.482 1.00 0.00 H new ATOM 0 HA ASN A 21 1.121 23.320 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.168 22.215 2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.812 22.750 2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.612 25.740 4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.778 24.413 4.177 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 16.463 9.701 -3.803 1.00 0.00 N ATOM 315 CA PHE B 22 15.013 9.425 -4.010 1.00 0.00 C ATOM 316 C PHE B 22 14.858 8.329 -5.071 1.00 0.00 C ATOM 317 O PHE B 22 15.522 7.313 -5.022 1.00 0.00 O ATOM 318 CB PHE B 22 14.316 10.718 -4.467 1.00 0.00 C ATOM 319 CG PHE B 22 12.840 10.674 -4.114 1.00 0.00 C ATOM 320 CD1 PHE B 22 12.444 10.714 -2.772 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.871 10.589 -5.126 1.00 0.00 C ATOM 322 CE1 PHE B 22 11.085 10.669 -2.440 1.00 0.00 C ATOM 323 CE2 PHE B 22 10.510 10.545 -4.792 1.00 0.00 C ATOM 324 CZ PHE B 22 10.117 10.585 -3.448 1.00 0.00 C ATOM 0 HA PHE B 22 14.555 9.085 -3.081 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.785 11.580 -3.992 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.436 10.843 -5.543 1.00 0.00 H new ATOM 0 HD1 PHE B 22 13.188 10.780 -1.992 1.00 0.00 H new ATOM 0 HD2 PHE B 22 12.174 10.557 -6.162 1.00 0.00 H new ATOM 0 HE1 PHE B 22 10.782 10.699 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.765 10.480 -5.571 1.00 0.00 H new ATOM 0 HZ PHE B 22 9.069 10.551 -3.190 1.00 0.00 H new ATOM 336 N VAL B 23 13.986 8.518 -6.027 1.00 0.00 N ATOM 337 CA VAL B 23 13.794 7.479 -7.081 1.00 0.00 C ATOM 338 C VAL B 23 13.410 8.144 -8.406 1.00 0.00 C ATOM 339 O VAL B 23 13.037 9.299 -8.452 1.00 0.00 O ATOM 340 CB VAL B 23 12.681 6.532 -6.644 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.459 7.357 -6.267 1.00 0.00 C ATOM 342 CG2 VAL B 23 12.325 5.574 -7.787 1.00 0.00 C ATOM 0 H VAL B 23 13.399 9.347 -6.123 1.00 0.00 H new ATOM 0 HA VAL B 23 14.722 6.924 -7.220 1.00 0.00 H new ATOM 0 HB VAL B 23 13.014 5.945 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.654 6.692 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.713 8.031 -5.449 1.00 0.00 H new ATOM 0 HG13 VAL B 23 11.133 7.939 -7.129 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.529 4.902 -7.464 1.00 0.00 H new ATOM 0 HG22 VAL B 23 11.988 6.147 -8.651 1.00 0.00 H new ATOM 0 HG23 VAL B 23 13.204 4.990 -8.060 1.00 0.00 H new ATOM 352 N ASN B 24 13.492 7.403 -9.480 1.00 0.00 N ATOM 353 CA ASN B 24 13.131 7.939 -10.828 1.00 0.00 C ATOM 354 C ASN B 24 12.019 7.062 -11.407 1.00 0.00 C ATOM 355 O ASN B 24 12.239 6.289 -12.318 1.00 0.00 O ATOM 356 CB ASN B 24 14.364 7.873 -11.736 1.00 0.00 C ATOM 357 CG ASN B 24 15.288 9.056 -11.436 1.00 0.00 C ATOM 358 OD1 ASN B 24 16.413 8.873 -11.014 1.00 0.00 O ATOM 359 ND2 ASN B 24 14.858 10.271 -11.638 1.00 0.00 N ATOM 0 H ASN B 24 13.800 6.431 -9.480 1.00 0.00 H new ATOM 0 HA ASN B 24 12.793 8.973 -10.755 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.895 6.935 -11.577 1.00 0.00 H new ATOM 0 HB3 ASN B 24 14.059 7.893 -12.782 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.466 11.066 -11.442 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.914 10.426 -11.992 1.00 0.00 H new ATOM 366 N GLN B 25 10.832 7.160 -10.859 1.00 0.00 N ATOM 367 CA GLN B 25 9.689 6.320 -11.338 1.00 0.00 C ATOM 368 C GLN B 25 8.555 7.213 -11.851 1.00 0.00 C ATOM 369 O GLN B 25 8.541 8.411 -11.648 1.00 0.00 O ATOM 370 CB GLN B 25 9.172 5.487 -10.147 1.00 0.00 C ATOM 371 CG GLN B 25 9.920 4.151 -10.071 1.00 0.00 C ATOM 372 CD GLN B 25 9.471 3.383 -8.827 1.00 0.00 C ATOM 373 OE1 GLN B 25 8.583 3.915 -8.033 1.00 0.00 O flip ATOM 374 NE2 GLN B 25 9.935 2.289 -8.573 1.00 0.00 N flip ATOM 0 H GLN B 25 10.604 7.793 -10.092 1.00 0.00 H new ATOM 0 HA GLN B 25 10.023 5.673 -12.149 1.00 0.00 H new ATOM 0 HB2 GLN B 25 9.309 6.042 -9.219 1.00 0.00 H new ATOM 0 HB3 GLN B 25 8.102 5.308 -10.256 1.00 0.00 H new ATOM 0 HG2 GLN B 25 9.723 3.561 -10.966 1.00 0.00 H new ATOM 0 HG3 GLN B 25 10.995 4.326 -10.035 1.00 0.00 H new ATOM 0 HE21 GLN B 25 10.629 1.873 -9.194 1.00 0.00 H new ATOM 0 HE22 GLN B 25 9.630 1.787 -7.739 1.00 0.00 H new ATOM 383 N HIS B 26 7.586 6.612 -12.489 1.00 0.00 N ATOM 384 CA HIS B 26 6.414 7.376 -12.999 1.00 0.00 C ATOM 385 C HIS B 26 5.348 7.349 -11.905 1.00 0.00 C ATOM 386 O HIS B 26 4.559 6.430 -11.815 1.00 0.00 O ATOM 387 CB HIS B 26 5.877 6.703 -14.272 1.00 0.00 C ATOM 388 CG HIS B 26 6.638 7.197 -15.473 1.00 0.00 C ATOM 389 ND1 HIS B 26 6.126 8.168 -16.322 1.00 0.00 N ATOM 390 CD2 HIS B 26 7.873 6.868 -15.978 1.00 0.00 C ATOM 391 CE1 HIS B 26 7.040 8.389 -17.284 1.00 0.00 C ATOM 392 NE2 HIS B 26 8.118 7.623 -17.119 1.00 0.00 N ATOM 0 H HIS B 26 7.558 5.610 -12.680 1.00 0.00 H new ATOM 0 HA HIS B 26 6.690 8.402 -13.243 1.00 0.00 H new ATOM 0 HB2 HIS B 26 5.973 5.620 -14.190 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.815 6.921 -14.389 1.00 0.00 H new ATOM 0 HD1 HIS B 26 5.221 8.630 -16.233 1.00 0.00 H new ATOM 0 HD2 HIS B 26 8.547 6.138 -15.555 1.00 0.00 H new ATOM 0 HE1 HIS B 26 6.916 9.098 -18.089 1.00 0.00 H new ATOM 400 N LEU B 27 5.345 8.331 -11.053 1.00 0.00 N ATOM 401 CA LEU B 27 4.361 8.347 -9.937 1.00 0.00 C ATOM 402 C LEU B 27 3.027 8.926 -10.401 1.00 0.00 C ATOM 403 O LEU B 27 2.981 9.900 -11.121 1.00 0.00 O ATOM 404 CB LEU B 27 4.888 9.213 -8.794 1.00 0.00 C ATOM 405 CG LEU B 27 6.361 8.903 -8.490 1.00 0.00 C ATOM 406 CD1 LEU B 27 6.939 10.015 -7.612 1.00 0.00 C ATOM 407 CD2 LEU B 27 6.460 7.574 -7.738 1.00 0.00 C ATOM 0 H LEU B 27 5.983 9.126 -11.080 1.00 0.00 H new ATOM 0 HA LEU B 27 4.216 7.320 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU B 27 4.782 10.266 -9.055 1.00 0.00 H new ATOM 0 HB3 LEU B 27 4.287 9.044 -7.900 1.00 0.00 H new ATOM 0 HG LEU B 27 6.918 8.838 -9.425 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.985 9.799 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.867 10.968 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.378 10.071 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.506 7.355 -7.523 1.00 0.00 H new ATOM 0 HD22 LEU B 27 5.904 7.643 -6.803 1.00 0.00 H new ATOM 0 HD23 LEU B 27 6.041 6.777 -8.352 1.00 0.00 H new ATOM 419 N CYS B 28 1.935 8.349 -9.965 1.00 0.00 N ATOM 420 CA CYS B 28 0.597 8.880 -10.360 1.00 0.00 C ATOM 421 C CYS B 28 -0.353 8.823 -9.167 1.00 0.00 C ATOM 422 O CYS B 28 -0.583 7.782 -8.585 1.00 0.00 O ATOM 423 CB CYS B 28 0.033 8.037 -11.505 1.00 0.00 C ATOM 424 SG CYS B 28 1.247 7.957 -12.844 1.00 0.00 S ATOM 0 H CYS B 28 1.914 7.533 -9.353 1.00 0.00 H new ATOM 0 HA CYS B 28 0.701 9.915 -10.686 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.202 7.033 -11.151 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -0.898 8.473 -11.868 1.00 0.00 H new ATOM 429 N GLY B 29 -0.917 9.949 -8.819 1.00 0.00 N ATOM 430 CA GLY B 29 -1.875 10.015 -7.680 1.00 0.00 C ATOM 431 C GLY B 29 -1.436 9.108 -6.527 1.00 0.00 C ATOM 432 O GLY B 29 -0.480 9.381 -5.841 1.00 0.00 O ATOM 0 H GLY B 29 -0.750 10.841 -9.285 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -1.952 11.043 -7.327 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.868 9.719 -8.020 1.00 0.00 H new ATOM 436 N SER B 30 -2.153 8.041 -6.300 1.00 0.00 N ATOM 437 CA SER B 30 -1.815 7.115 -5.174 1.00 0.00 C ATOM 438 C SER B 30 -0.298 6.944 -5.024 1.00 0.00 C ATOM 439 O SER B 30 0.250 7.153 -3.960 1.00 0.00 O ATOM 440 CB SER B 30 -2.455 5.751 -5.433 1.00 0.00 C ATOM 441 OG SER B 30 -2.084 4.854 -4.394 1.00 0.00 O ATOM 0 H SER B 30 -2.967 7.766 -6.850 1.00 0.00 H new ATOM 0 HA SER B 30 -2.201 7.546 -4.250 1.00 0.00 H new ATOM 0 HB2 SER B 30 -3.540 5.848 -5.476 1.00 0.00 H new ATOM 0 HB3 SER B 30 -2.131 5.362 -6.398 1.00 0.00 H new ATOM 0 HG SER B 30 -2.494 3.979 -4.556 1.00 0.00 H new ATOM 447 N ASP B 31 0.383 6.558 -6.064 1.00 0.00 N ATOM 448 CA ASP B 31 1.857 6.367 -5.953 1.00 0.00 C ATOM 449 C ASP B 31 2.548 7.724 -5.805 1.00 0.00 C ATOM 450 O ASP B 31 3.606 7.827 -5.227 1.00 0.00 O ATOM 451 CB ASP B 31 2.374 5.652 -7.208 1.00 0.00 C ATOM 452 CG ASP B 31 1.334 4.631 -7.676 1.00 0.00 C ATOM 453 OD1 ASP B 31 0.519 4.230 -6.862 1.00 0.00 O ATOM 454 OD2 ASP B 31 1.372 4.268 -8.840 1.00 0.00 O ATOM 0 H ASP B 31 -0.014 6.367 -6.984 1.00 0.00 H new ATOM 0 HA ASP B 31 2.078 5.761 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.570 6.377 -7.998 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.319 5.153 -6.992 1.00 0.00 H new ATOM 459 N LEU B 32 1.957 8.757 -6.327 1.00 0.00 N ATOM 460 CA LEU B 32 2.562 10.119 -6.223 1.00 0.00 C ATOM 461 C LEU B 32 2.176 10.738 -4.892 1.00 0.00 C ATOM 462 O LEU B 32 3.012 11.032 -4.069 1.00 0.00 O ATOM 463 CB LEU B 32 2.033 10.947 -7.391 1.00 0.00 C ATOM 464 CG LEU B 32 2.330 12.441 -7.222 1.00 0.00 C ATOM 465 CD1 LEU B 32 3.852 12.672 -7.023 1.00 0.00 C ATOM 466 CD2 LEU B 32 1.816 13.164 -8.487 1.00 0.00 C ATOM 0 H LEU B 32 1.070 8.720 -6.828 1.00 0.00 H new ATOM 0 HA LEU B 32 3.650 10.077 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.482 10.592 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.957 10.800 -7.481 1.00 0.00 H new ATOM 0 HG LEU B 32 1.829 12.836 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU B 32 4.046 13.738 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.187 12.141 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.393 12.299 -7.893 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.012 14.233 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.329 12.771 -9.365 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.744 12.999 -8.590 1.00 0.00 H new ATOM 478 N VAL B 33 0.912 10.925 -4.675 1.00 0.00 N ATOM 479 CA VAL B 33 0.434 11.499 -3.392 1.00 0.00 C ATOM 480 C VAL B 33 1.233 10.887 -2.248 1.00 0.00 C ATOM 481 O VAL B 33 1.879 11.571 -1.480 1.00 0.00 O ATOM 482 CB VAL B 33 -1.039 11.130 -3.212 1.00 0.00 C ATOM 483 CG1 VAL B 33 -1.477 11.408 -1.764 1.00 0.00 C ATOM 484 CG2 VAL B 33 -1.879 11.945 -4.192 1.00 0.00 C ATOM 0 H VAL B 33 0.175 10.701 -5.343 1.00 0.00 H new ATOM 0 HA VAL B 33 0.557 12.582 -3.397 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.181 10.068 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.527 11.143 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.872 10.813 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.342 12.466 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -2.931 11.688 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.740 13.008 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.567 11.722 -5.212 1.00 0.00 H new ATOM 494 N GLU B 34 1.201 9.591 -2.147 1.00 0.00 N ATOM 495 CA GLU B 34 1.974 8.926 -1.067 1.00 0.00 C ATOM 496 C GLU B 34 3.424 9.401 -1.182 1.00 0.00 C ATOM 497 O GLU B 34 4.095 9.637 -0.197 1.00 0.00 O ATOM 498 CB GLU B 34 1.868 7.396 -1.197 1.00 0.00 C ATOM 499 CG GLU B 34 2.735 6.892 -2.344 1.00 0.00 C ATOM 500 CD GLU B 34 2.492 5.395 -2.544 1.00 0.00 C ATOM 501 OE1 GLU B 34 1.503 4.901 -2.027 1.00 0.00 O ATOM 502 OE2 GLU B 34 3.299 4.767 -3.210 1.00 0.00 O ATOM 0 H GLU B 34 0.677 8.967 -2.761 1.00 0.00 H new ATOM 0 HA GLU B 34 1.578 9.187 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.179 6.924 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU B 34 0.830 7.111 -1.367 1.00 0.00 H new ATOM 0 HG2 GLU B 34 2.499 7.435 -3.259 1.00 0.00 H new ATOM 0 HG3 GLU B 34 3.787 7.075 -2.127 1.00 0.00 H new ATOM 509 N ALA B 35 3.892 9.587 -2.391 1.00 0.00 N ATOM 510 CA ALA B 35 5.275 10.097 -2.579 1.00 0.00 C ATOM 511 C ALA B 35 5.340 11.473 -1.931 1.00 0.00 C ATOM 512 O ALA B 35 6.326 11.842 -1.345 1.00 0.00 O ATOM 513 CB ALA B 35 5.617 10.204 -4.081 1.00 0.00 C ATOM 0 H ALA B 35 3.374 9.407 -3.251 1.00 0.00 H new ATOM 0 HA ALA B 35 5.995 9.416 -2.125 1.00 0.00 H new ATOM 0 HB1 ALA B 35 6.634 10.579 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA B 35 5.539 9.220 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA B 35 4.920 10.889 -4.565 1.00 0.00 H new ATOM 519 N LEU B 36 4.287 12.240 -2.010 1.00 0.00 N ATOM 520 CA LEU B 36 4.331 13.571 -1.371 1.00 0.00 C ATOM 521 C LEU B 36 4.204 13.395 0.138 1.00 0.00 C ATOM 522 O LEU B 36 5.068 13.796 0.889 1.00 0.00 O ATOM 523 CB LEU B 36 3.200 14.425 -1.896 1.00 0.00 C ATOM 524 CG LEU B 36 3.502 14.833 -3.350 1.00 0.00 C ATOM 525 CD1 LEU B 36 2.199 15.323 -4.011 1.00 0.00 C ATOM 526 CD2 LEU B 36 4.601 15.937 -3.385 1.00 0.00 C ATOM 0 H LEU B 36 3.415 12.002 -2.483 1.00 0.00 H new ATOM 0 HA LEU B 36 5.275 14.066 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.261 13.874 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.081 15.313 -1.275 1.00 0.00 H new ATOM 0 HG LEU B 36 3.881 13.975 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.401 15.615 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.461 14.521 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.812 16.180 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.804 16.215 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.255 16.812 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.513 15.557 -2.926 1.00 0.00 H new ATOM 538 N TYR B 37 3.145 12.770 0.592 1.00 0.00 N ATOM 539 CA TYR B 37 2.983 12.537 2.057 1.00 0.00 C ATOM 540 C TYR B 37 4.307 12.010 2.607 1.00 0.00 C ATOM 541 O TYR B 37 4.684 12.264 3.732 1.00 0.00 O ATOM 542 CB TYR B 37 1.891 11.498 2.287 1.00 0.00 C ATOM 543 CG TYR B 37 1.727 11.301 3.767 1.00 0.00 C ATOM 544 CD1 TYR B 37 2.593 10.449 4.458 1.00 0.00 C ATOM 545 CD2 TYR B 37 0.720 11.983 4.449 1.00 0.00 C ATOM 546 CE1 TYR B 37 2.447 10.275 5.838 1.00 0.00 C ATOM 547 CE2 TYR B 37 0.572 11.813 5.827 1.00 0.00 C ATOM 548 CZ TYR B 37 1.435 10.958 6.525 1.00 0.00 C ATOM 549 OH TYR B 37 1.290 10.790 7.886 1.00 0.00 O ATOM 0 H TYR B 37 2.388 12.412 0.010 1.00 0.00 H new ATOM 0 HA TYR B 37 2.707 13.464 2.559 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.953 11.830 1.842 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.156 10.556 1.806 1.00 0.00 H new ATOM 0 HD1 TYR B 37 3.374 9.926 3.927 1.00 0.00 H new ATOM 0 HD2 TYR B 37 0.055 12.643 3.912 1.00 0.00 H new ATOM 0 HE1 TYR B 37 3.114 9.615 6.373 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -0.208 12.341 6.355 1.00 0.00 H new ATOM 0 HH TYR B 37 0.542 11.336 8.205 1.00 0.00 H new ATOM 559 N LEU B 38 5.019 11.296 1.789 1.00 0.00 N ATOM 560 CA LEU B 38 6.333 10.755 2.191 1.00 0.00 C ATOM 561 C LEU B 38 7.338 11.907 2.194 1.00 0.00 C ATOM 562 O LEU B 38 8.088 12.102 3.129 1.00 0.00 O ATOM 563 CB LEU B 38 6.729 9.703 1.148 1.00 0.00 C ATOM 564 CG LEU B 38 8.069 9.028 1.518 1.00 0.00 C ATOM 565 CD1 LEU B 38 8.085 7.591 0.984 1.00 0.00 C ATOM 566 CD2 LEU B 38 9.254 9.788 0.899 1.00 0.00 C ATOM 0 H LEU B 38 4.736 11.061 0.838 1.00 0.00 H new ATOM 0 HA LEU B 38 6.306 10.303 3.182 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.946 8.948 1.074 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.813 10.172 0.168 1.00 0.00 H new ATOM 0 HG LEU B 38 8.163 9.035 2.604 1.00 0.00 H new ATOM 0 HD11 LEU B 38 9.031 7.116 1.246 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.262 7.029 1.426 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.974 7.604 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU B 38 10.186 9.294 1.173 1.00 0.00 H new ATOM 0 HD22 LEU B 38 9.154 9.797 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU B 38 9.263 10.813 1.271 1.00 0.00 H new ATOM 578 N VAL B 39 7.343 12.669 1.138 1.00 0.00 N ATOM 579 CA VAL B 39 8.276 13.826 1.022 1.00 0.00 C ATOM 580 C VAL B 39 7.804 14.969 1.932 1.00 0.00 C ATOM 581 O VAL B 39 8.512 15.423 2.809 1.00 0.00 O ATOM 582 CB VAL B 39 8.265 14.298 -0.445 1.00 0.00 C ATOM 583 CG1 VAL B 39 8.878 15.689 -0.578 1.00 0.00 C ATOM 584 CG2 VAL B 39 9.051 13.313 -1.310 1.00 0.00 C ATOM 0 H VAL B 39 6.729 12.537 0.334 1.00 0.00 H new ATOM 0 HA VAL B 39 9.282 13.532 1.323 1.00 0.00 H new ATOM 0 HB VAL B 39 7.229 14.342 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.857 15.997 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.306 16.398 0.021 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.910 15.667 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL B 39 9.041 13.650 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL B 39 10.081 13.259 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL B 39 8.593 12.326 -1.245 1.00 0.00 H new ATOM 594 N CYS B 40 6.625 15.457 1.684 1.00 0.00 N ATOM 595 CA CYS B 40 6.078 16.601 2.466 1.00 0.00 C ATOM 596 C CYS B 40 5.766 16.214 3.915 1.00 0.00 C ATOM 597 O CYS B 40 6.119 16.916 4.840 1.00 0.00 O ATOM 598 CB CYS B 40 4.789 17.016 1.782 1.00 0.00 C ATOM 599 SG CYS B 40 5.120 17.203 0.018 1.00 0.00 S ATOM 0 H CYS B 40 6.002 15.105 0.957 1.00 0.00 H new ATOM 0 HA CYS B 40 6.815 17.403 2.498 1.00 0.00 H new ATOM 0 HB2 CYS B 40 4.014 16.267 1.946 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.421 17.953 2.201 1.00 0.00 H new ATOM 604 N GLY B 41 5.105 15.115 4.124 1.00 0.00 N ATOM 605 CA GLY B 41 4.772 14.707 5.518 1.00 0.00 C ATOM 606 C GLY B 41 3.798 15.705 6.153 1.00 0.00 C ATOM 607 O GLY B 41 2.698 15.905 5.677 1.00 0.00 O ATOM 0 H GLY B 41 4.780 14.481 3.394 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.330 13.711 5.515 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.683 14.650 6.114 1.00 0.00 H new ATOM 611 N GLU B 42 4.187 16.311 7.242 1.00 0.00 N ATOM 612 CA GLU B 42 3.282 17.274 7.937 1.00 0.00 C ATOM 613 C GLU B 42 2.979 18.485 7.050 1.00 0.00 C ATOM 614 O GLU B 42 1.857 18.947 6.987 1.00 0.00 O ATOM 615 CB GLU B 42 3.951 17.748 9.231 1.00 0.00 C ATOM 616 CG GLU B 42 3.101 18.844 9.884 1.00 0.00 C ATOM 617 CD GLU B 42 3.525 19.025 11.343 1.00 0.00 C ATOM 618 OE1 GLU B 42 3.472 18.053 12.079 1.00 0.00 O ATOM 619 OE2 GLU B 42 3.895 20.131 11.699 1.00 0.00 O ATOM 0 H GLU B 42 5.097 16.180 7.683 1.00 0.00 H new ATOM 0 HA GLU B 42 2.343 16.768 8.159 1.00 0.00 H new ATOM 0 HB2 GLU B 42 4.070 16.910 9.918 1.00 0.00 H new ATOM 0 HB3 GLU B 42 4.950 18.129 9.017 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.220 19.782 9.342 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.045 18.578 9.832 1.00 0.00 H new ATOM 626 N ARG B 43 3.962 19.020 6.386 1.00 0.00 N ATOM 627 CA ARG B 43 3.713 20.216 5.532 1.00 0.00 C ATOM 628 C ARG B 43 2.467 20.007 4.670 1.00 0.00 C ATOM 629 O ARG B 43 1.916 20.947 4.138 1.00 0.00 O ATOM 630 CB ARG B 43 4.915 20.474 4.617 1.00 0.00 C ATOM 631 CG ARG B 43 6.213 20.188 5.356 1.00 0.00 C ATOM 632 CD ARG B 43 7.388 20.570 4.460 1.00 0.00 C ATOM 633 NE ARG B 43 8.199 19.345 4.228 1.00 0.00 N ATOM 634 CZ ARG B 43 8.793 18.727 5.210 1.00 0.00 C ATOM 635 NH1 ARG B 43 8.756 19.227 6.415 1.00 0.00 N ATOM 636 NH2 ARG B 43 9.426 17.608 4.988 1.00 0.00 N ATOM 0 H ARG B 43 4.925 18.684 6.396 1.00 0.00 H new ATOM 0 HA ARG B 43 3.561 21.074 6.186 1.00 0.00 H new ATOM 0 HB2 ARG B 43 4.847 19.844 3.730 1.00 0.00 H new ATOM 0 HB3 ARG B 43 4.904 21.509 4.274 1.00 0.00 H new ATOM 0 HG2 ARG B 43 6.249 20.754 6.287 1.00 0.00 H new ATOM 0 HG3 ARG B 43 6.270 19.133 5.623 1.00 0.00 H new ATOM 0 HD2 ARG B 43 7.031 20.977 3.514 1.00 0.00 H new ATOM 0 HD3 ARG B 43 7.992 21.345 4.932 1.00 0.00 H new ATOM 0 HE ARG B 43 8.292 18.981 3.280 1.00 0.00 H new ATOM 0 HH11 ARG B 43 8.262 20.102 6.589 1.00 0.00 H new ATOM 0 HH12 ARG B 43 9.221 18.743 7.183 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.456 17.217 4.046 1.00 0.00 H new ATOM 0 HH22 ARG B 43 9.891 17.124 5.756 1.00 0.00 H new ATOM 650 N GLY B 44 2.025 18.790 4.501 1.00 0.00 N ATOM 651 CA GLY B 44 0.830 18.573 3.638 1.00 0.00 C ATOM 652 C GLY B 44 1.261 18.802 2.192 1.00 0.00 C ATOM 653 O GLY B 44 2.421 19.030 1.927 1.00 0.00 O ATOM 0 H GLY B 44 2.431 17.951 4.915 1.00 0.00 H new ATOM 0 HA2 GLY B 44 0.442 17.563 3.767 1.00 0.00 H new ATOM 0 HA3 GLY B 44 0.029 19.259 3.913 1.00 0.00 H new ATOM 657 N PHE B 45 0.371 18.747 1.242 1.00 0.00 N ATOM 658 CA PHE B 45 0.826 18.963 -0.159 1.00 0.00 C ATOM 659 C PHE B 45 -0.372 19.171 -1.109 1.00 0.00 C ATOM 660 O PHE B 45 -1.509 18.961 -0.720 1.00 0.00 O ATOM 661 CB PHE B 45 1.608 17.732 -0.594 1.00 0.00 C ATOM 662 CG PHE B 45 0.825 16.492 -0.256 1.00 0.00 C ATOM 663 CD1 PHE B 45 -0.119 15.998 -1.151 1.00 0.00 C ATOM 664 CD2 PHE B 45 1.056 15.836 0.952 1.00 0.00 C ATOM 665 CE1 PHE B 45 -0.837 14.836 -0.839 1.00 0.00 C ATOM 666 CE2 PHE B 45 0.343 14.679 1.270 1.00 0.00 C ATOM 667 CZ PHE B 45 -0.602 14.177 0.375 1.00 0.00 C ATOM 0 H PHE B 45 -0.625 18.567 1.368 1.00 0.00 H new ATOM 0 HA PHE B 45 1.447 19.858 -0.202 1.00 0.00 H new ATOM 0 HB2 PHE B 45 1.801 17.771 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE B 45 2.577 17.709 -0.096 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.298 16.510 -2.085 1.00 0.00 H new ATOM 0 HD2 PHE B 45 1.789 16.224 1.644 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -1.569 14.449 -1.532 1.00 0.00 H new ATOM 0 HE2 PHE B 45 0.523 14.173 2.207 1.00 0.00 H new ATOM 0 HZ PHE B 45 -1.153 13.280 0.618 1.00 0.00 H new HETATM 677 N 23F B 46 -0.136 19.600 -2.441 1.00 0.00 N HETATM 678 CA 23F B 46 -1.197 19.796 -3.353 1.00 0.00 C HETATM 679 C 23F B 46 -1.984 18.604 -3.824 1.00 0.00 C HETATM 680 CB 23F B 46 -1.523 21.069 -3.851 1.00 0.00 C HETATM 681 CG 23F B 46 -0.778 22.357 -3.565 1.00 0.00 C HETATM 682 CD1 23F B 46 0.462 22.464 -2.754 1.00 0.00 C HETATM 683 CD2 23F B 46 -1.297 23.580 -4.201 1.00 0.00 C HETATM 684 CE1 23F B 46 1.127 23.736 -2.617 1.00 0.00 C HETATM 685 CE2 23F B 46 -0.626 24.818 -4.048 1.00 0.00 C HETATM 686 CZ 23F B 46 0.587 24.913 -3.262 1.00 0.00 C HETATM 687 O 23F B 46 -1.620 17.997 -4.813 1.00 0.00 O HETATM 0 HZ 23F B 46 1.093 25.872 -3.156 1.00 0.00 H new HETATM 0 HE2 23F B 46 -1.028 25.711 -4.528 1.00 0.00 H new HETATM 0 HE1 23F B 46 2.040 23.811 -2.026 1.00 0.00 H new HETATM 0 HD2 23F B 46 -2.209 23.532 -4.797 1.00 0.00 H new HETATM 0 HD1 23F B 46 0.869 21.581 -2.262 1.00 0.00 H new HETATM 0 HB 23F B 46 -2.393 21.136 -4.504 1.00 0.00 H new ATOM 695 N TYR B 47 -3.147 18.201 -3.154 1.00 0.00 N ATOM 696 CA TYR B 47 -3.954 17.025 -3.644 1.00 0.00 C ATOM 697 C TYR B 47 -5.212 16.896 -2.773 1.00 0.00 C ATOM 698 O TYR B 47 -5.206 16.246 -1.746 1.00 0.00 O ATOM 699 CB TYR B 47 -3.122 15.705 -3.580 1.00 0.00 C ATOM 700 CG TYR B 47 -3.027 15.056 -4.952 1.00 0.00 C ATOM 701 CD1 TYR B 47 -4.186 14.571 -5.571 1.00 0.00 C ATOM 702 CD2 TYR B 47 -1.784 14.925 -5.594 1.00 0.00 C ATOM 703 CE1 TYR B 47 -4.106 13.961 -6.828 1.00 0.00 C ATOM 704 CE2 TYR B 47 -1.708 14.312 -6.849 1.00 0.00 C ATOM 705 CZ TYR B 47 -2.868 13.831 -7.467 1.00 0.00 C ATOM 706 OH TYR B 47 -2.791 13.227 -8.706 1.00 0.00 O ATOM 0 H TYR B 47 -3.517 18.656 -2.319 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.231 17.192 -4.685 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.121 15.919 -3.205 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.585 15.012 -2.877 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.142 14.668 -5.078 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.888 15.297 -5.119 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.001 13.590 -7.305 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.753 14.210 -7.342 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.627 13.377 -9.195 1.00 0.00 H new ATOM 716 N THR B 48 -6.290 17.507 -3.180 1.00 0.00 N ATOM 717 CA THR B 48 -7.544 17.412 -2.382 1.00 0.00 C ATOM 718 C THR B 48 -8.235 16.084 -2.703 1.00 0.00 C ATOM 719 O THR B 48 -7.693 15.022 -2.471 1.00 0.00 O ATOM 720 CB THR B 48 -8.466 18.582 -2.743 1.00 0.00 C ATOM 721 OG1 THR B 48 -9.781 18.312 -2.277 1.00 0.00 O ATOM 722 CG2 THR B 48 -8.488 18.772 -4.262 1.00 0.00 C ATOM 0 H THR B 48 -6.357 18.067 -4.030 1.00 0.00 H new ATOM 0 HA THR B 48 -7.315 17.456 -1.317 1.00 0.00 H new ATOM 0 HB THR B 48 -8.095 19.492 -2.272 1.00 0.00 H new ATOM 0 HG1 THR B 48 -10.283 19.151 -2.211 1.00 0.00 H new ATOM 0 HG21 THR B 48 -9.144 19.605 -4.515 1.00 0.00 H new ATOM 0 HG22 THR B 48 -7.479 18.984 -4.617 1.00 0.00 H new ATOM 0 HG23 THR B 48 -8.856 17.863 -4.737 1.00 0.00 H new ATOM 730 N LYS B 49 -9.425 16.132 -3.244 1.00 0.00 N ATOM 731 CA LYS B 49 -10.152 14.869 -3.590 1.00 0.00 C ATOM 732 C LYS B 49 -9.841 14.529 -5.063 1.00 0.00 C ATOM 733 O LYS B 49 -9.273 15.344 -5.761 1.00 0.00 O ATOM 734 CB LYS B 49 -11.679 15.067 -3.378 1.00 0.00 C ATOM 735 CG LYS B 49 -11.948 16.432 -2.740 1.00 0.00 C ATOM 736 CD LYS B 49 -13.440 16.570 -2.433 1.00 0.00 C ATOM 737 CE LYS B 49 -13.663 17.775 -1.518 1.00 0.00 C ATOM 738 NZ LYS B 49 -13.294 19.024 -2.242 1.00 0.00 N ATOM 0 H LYS B 49 -9.928 16.992 -3.462 1.00 0.00 H new ATOM 0 HA LYS B 49 -9.829 14.049 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.199 14.994 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.071 14.275 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.367 16.537 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -11.630 17.228 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -14.003 16.693 -3.358 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -13.809 15.663 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -14.706 17.819 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -13.062 17.675 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -13.850 19.819 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -12.281 19.216 -2.109 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -13.494 18.909 -3.256 1.00 0.00 H new ATOM 752 N PRO B 50 -10.212 13.343 -5.503 1.00 0.00 N ATOM 753 CA PRO B 50 -9.955 12.928 -6.892 1.00 0.00 C ATOM 754 C PRO B 50 -10.438 14.004 -7.872 1.00 0.00 C ATOM 755 O PRO B 50 -9.654 14.639 -8.549 1.00 0.00 O ATOM 756 CB PRO B 50 -10.738 11.612 -7.051 1.00 0.00 C ATOM 757 CG PRO B 50 -11.067 11.118 -5.624 1.00 0.00 C ATOM 758 CD PRO B 50 -10.905 12.328 -4.682 1.00 0.00 C ATOM 0 HA PRO B 50 -8.895 12.791 -7.106 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -11.650 11.771 -7.626 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -10.147 10.872 -7.590 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -12.082 10.725 -5.576 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -10.398 10.309 -5.332 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -11.871 12.692 -4.333 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -10.324 12.068 -3.797 1.00 0.00 H new ATOM 766 N THR B 51 -11.721 14.211 -7.949 1.00 0.00 N ATOM 767 CA THR B 51 -12.255 15.244 -8.881 1.00 0.00 C ATOM 768 C THR B 51 -11.725 16.620 -8.473 1.00 0.00 C ATOM 769 O THR B 51 -10.859 16.668 -7.615 1.00 0.00 O ATOM 770 CB THR B 51 -13.784 15.246 -8.818 1.00 0.00 C ATOM 771 OG1 THR B 51 -14.281 16.398 -9.486 1.00 0.00 O ATOM 772 CG2 THR B 51 -14.235 15.265 -7.357 1.00 0.00 C ATOM 773 OXT THR B 51 -12.195 17.601 -9.025 1.00 0.00 O ATOM 0 H THR B 51 -12.425 13.710 -7.407 1.00 0.00 H new ATOM 0 HA THR B 51 -11.934 15.018 -9.898 1.00 0.00 H new ATOM 0 HB THR B 51 -14.171 14.350 -9.303 1.00 0.00 H new ATOM 0 HG1 THR B 51 -13.531 16.920 -9.841 1.00 0.00 H new ATOM 0 HG21 THR B 51 -15.324 15.266 -7.312 1.00 0.00 H new ATOM 0 HG22 THR B 51 -13.852 14.381 -6.846 1.00 0.00 H new ATOM 0 HG23 THR B 51 -13.851 16.161 -6.869 1.00 0.00 H new TER 781 THR B 51