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 -177:sc= 0.0408 USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= 0.00323 F(o=-0.94,f=0.044) USER MOD Set 2.1: A 5 GLN : amide:sc= -3.94! C(o=-3.9!,f=-5.4!) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 175:sc= -0.541 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= -0.0573 F(o=-0.58,f=-0.057) USER MOD Single : A 21 ASN : amide:sc= -1.68! C(o=-1.7!,f=-6.5!) USER MOD Single : B 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : B 26 HIS : no HE2:sc= 1.05 K(o=1,f=-3.9!) 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= -0.328 USER MOD Single : B 48 THR OG1 : rot 180:sc= 0.00453 USER MOD Single : B 49 LYS NZ :NH3+ -133:sc= -0.279 (180deg=-1.42!) USER MOD Single : B 51 THR OG1 : rot 84:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.502 19.957 -12.013 1.00 0.00 N ATOM 2 CA GLY A 1 0.807 19.863 -12.800 1.00 0.00 C ATOM 3 C GLY A 1 1.823 18.838 -12.430 1.00 0.00 C ATOM 4 O GLY A 1 2.566 18.358 -13.262 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.088 20.721 -12.405 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.016 19.055 -12.084 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.293 20.158 -11.014 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.546 19.699 -13.846 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.292 20.837 -12.741 1.00 0.00 H new ATOM 10 N ILE A 2 1.887 18.480 -11.177 1.00 0.00 N ATOM 11 CA ILE A 2 2.884 17.464 -10.738 1.00 0.00 C ATOM 12 C ILE A 2 2.604 16.128 -11.438 1.00 0.00 C ATOM 13 O ILE A 2 3.490 15.336 -11.658 1.00 0.00 O ATOM 14 CB ILE A 2 2.790 17.299 -9.210 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.741 16.176 -8.740 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.341 16.982 -8.801 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.682 16.036 -7.224 1.00 0.00 C ATOM 0 H ILE A 2 1.290 18.849 -10.437 1.00 0.00 H new ATOM 0 HA ILE A 2 3.890 17.790 -11.004 1.00 0.00 H new ATOM 0 HB ILE A 2 3.090 18.232 -8.733 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.462 15.233 -9.211 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.761 16.399 -9.052 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.285 16.867 -7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.688 17.797 -9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.022 16.057 -9.281 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.357 15.241 -6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.983 16.975 -6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.664 15.791 -6.921 1.00 0.00 H new ATOM 29 N VAL A 3 1.378 15.865 -11.777 1.00 0.00 N ATOM 30 CA VAL A 3 1.050 14.573 -12.438 1.00 0.00 C ATOM 31 C VAL A 3 1.781 14.441 -13.782 1.00 0.00 C ATOM 32 O VAL A 3 2.390 13.433 -14.065 1.00 0.00 O ATOM 33 CB VAL A 3 -0.462 14.511 -12.651 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.834 13.216 -13.369 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.155 14.549 -11.286 1.00 0.00 C ATOM 0 H VAL A 3 0.585 16.489 -11.626 1.00 0.00 H new ATOM 0 HA VAL A 3 1.376 13.748 -11.804 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.780 15.359 -13.258 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.913 13.179 -13.517 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.333 13.180 -14.337 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.521 12.363 -12.767 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.235 14.505 -11.425 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.831 13.696 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.893 15.473 -10.770 1.00 0.00 H new ATOM 45 N GLU A 4 1.716 15.433 -14.620 1.00 0.00 N ATOM 46 CA GLU A 4 2.396 15.329 -15.949 1.00 0.00 C ATOM 47 C GLU A 4 3.863 14.919 -15.791 1.00 0.00 C ATOM 48 O GLU A 4 4.290 13.902 -16.292 1.00 0.00 O ATOM 49 CB GLU A 4 2.344 16.692 -16.650 1.00 0.00 C ATOM 50 CG GLU A 4 3.228 16.676 -17.913 1.00 0.00 C ATOM 51 CD GLU A 4 2.743 17.737 -18.906 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.708 17.522 -19.515 1.00 0.00 O ATOM 53 OE2 GLU A 4 3.416 18.746 -19.039 1.00 0.00 O ATOM 0 H GLU A 4 1.225 16.311 -14.449 1.00 0.00 H new ATOM 0 HA GLU A 4 1.880 14.570 -16.536 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.315 16.931 -16.920 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.684 17.472 -15.969 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.266 16.867 -17.642 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.196 15.690 -18.377 1.00 0.00 H new ATOM 60 N GLN A 5 4.649 15.722 -15.143 1.00 0.00 N ATOM 61 CA GLN A 5 6.094 15.393 -15.020 1.00 0.00 C ATOM 62 C GLN A 5 6.319 14.081 -14.253 1.00 0.00 C ATOM 63 O GLN A 5 7.211 13.323 -14.570 1.00 0.00 O ATOM 64 CB GLN A 5 6.819 16.531 -14.294 1.00 0.00 C ATOM 65 CG GLN A 5 6.671 17.837 -15.089 1.00 0.00 C ATOM 66 CD GLN A 5 5.319 18.482 -14.782 0.50 0.00 C ATOM 67 OE1 GLN A 5 4.588 18.851 -15.680 0.50 0.00 O ATOM 68 NE2 GLN A 5 4.957 18.631 -13.541 0.50 0.00 N ATOM 0 H GLN A 5 4.358 16.590 -14.693 1.00 0.00 H new ATOM 0 HA GLN A 5 6.492 15.269 -16.027 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.407 16.656 -13.293 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.874 16.285 -14.176 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.478 18.523 -14.832 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.753 17.634 -16.157 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.573 18.320 -12.789 0.50 0.00 H new ATOM 0 HE22 GLN A 5 4.058 19.058 -13.320 0.50 0.00 H new ATOM 77 N CYS A 6 5.555 13.827 -13.226 1.00 0.00 N ATOM 78 CA CYS A 6 5.761 12.582 -12.413 1.00 0.00 C ATOM 79 C CYS A 6 5.008 11.379 -12.998 1.00 0.00 C ATOM 80 O CYS A 6 5.539 10.289 -13.081 1.00 0.00 O ATOM 81 CB CYS A 6 5.267 12.861 -10.995 1.00 0.00 C ATOM 82 SG CYS A 6 5.749 14.539 -10.549 1.00 0.00 S ATOM 0 H CYS A 6 4.793 14.427 -12.910 1.00 0.00 H new ATOM 0 HA CYS A 6 6.821 12.328 -12.419 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.184 12.750 -10.941 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.696 12.144 -10.295 1.00 0.00 H new ATOM 87 N CYS A 7 3.769 11.543 -13.362 1.00 0.00 N ATOM 88 CA CYS A 7 2.994 10.383 -13.899 1.00 0.00 C ATOM 89 C CYS A 7 3.273 10.182 -15.394 1.00 0.00 C ATOM 90 O CYS A 7 3.626 9.100 -15.820 1.00 0.00 O ATOM 91 CB CYS A 7 1.503 10.631 -13.673 1.00 0.00 C ATOM 92 SG CYS A 7 0.570 9.144 -14.114 1.00 0.00 S ATOM 0 H CYS A 7 3.258 12.424 -13.313 1.00 0.00 H new ATOM 0 HA CYS A 7 3.303 9.478 -13.375 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.321 10.892 -12.630 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.168 11.475 -14.276 1.00 0.00 H new ATOM 97 N THR A 8 3.122 11.199 -16.199 1.00 0.00 N ATOM 98 CA THR A 8 3.387 11.027 -17.659 1.00 0.00 C ATOM 99 C THR A 8 4.891 10.840 -17.870 1.00 0.00 C ATOM 100 O THR A 8 5.329 10.172 -18.786 1.00 0.00 O ATOM 101 CB THR A 8 2.898 12.265 -18.421 1.00 0.00 C ATOM 102 OG1 THR A 8 1.655 12.687 -17.882 1.00 0.00 O ATOM 103 CG2 THR A 8 2.718 11.926 -19.897 1.00 0.00 C ATOM 0 H THR A 8 2.829 12.134 -15.914 1.00 0.00 H new ATOM 0 HA THR A 8 2.855 10.152 -18.034 1.00 0.00 H new ATOM 0 HB THR A 8 3.634 13.063 -18.322 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.380 13.524 -18.311 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.371 12.809 -20.433 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.671 11.600 -20.314 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.984 11.127 -20.000 1.00 0.00 H new ATOM 111 N SER A 9 5.680 11.421 -17.009 1.00 0.00 N ATOM 112 CA SER A 9 7.166 11.294 -17.105 1.00 0.00 C ATOM 113 C SER A 9 7.694 11.003 -15.704 1.00 0.00 C ATOM 114 O SER A 9 6.949 11.020 -14.751 1.00 0.00 O ATOM 115 CB SER A 9 7.761 12.605 -17.610 1.00 0.00 C ATOM 116 OG SER A 9 7.360 12.818 -18.957 1.00 0.00 O ATOM 0 H SER A 9 5.353 11.989 -16.228 1.00 0.00 H new ATOM 0 HA SER A 9 7.439 10.496 -17.795 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.428 13.433 -16.985 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.848 12.573 -17.544 1.00 0.00 H new ATOM 0 HG SER A 9 7.740 13.661 -19.282 1.00 0.00 H new ATOM 122 N ILE A 10 8.960 10.737 -15.551 1.00 0.00 N ATOM 123 CA ILE A 10 9.483 10.457 -14.179 1.00 0.00 C ATOM 124 C ILE A 10 9.847 11.782 -13.506 1.00 0.00 C ATOM 125 O ILE A 10 10.463 12.646 -14.098 1.00 0.00 O ATOM 126 CB ILE A 10 10.713 9.542 -14.253 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.341 8.267 -15.042 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.160 9.172 -12.826 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.328 7.130 -14.742 1.00 0.00 C ATOM 0 H ILE A 10 9.649 10.701 -16.302 1.00 0.00 H new ATOM 0 HA ILE A 10 8.717 9.949 -13.594 1.00 0.00 H new ATOM 0 HB ILE A 10 11.532 10.053 -14.758 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.330 7.955 -14.781 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.342 8.482 -16.111 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.034 8.522 -12.875 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.413 10.079 -12.277 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.350 8.653 -12.314 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.045 6.243 -15.309 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.334 7.437 -15.027 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.307 6.901 -13.676 1.00 0.00 H new ATOM 141 N CYS A 11 9.460 11.947 -12.268 1.00 0.00 N ATOM 142 CA CYS A 11 9.764 13.213 -11.534 1.00 0.00 C ATOM 143 C CYS A 11 10.989 13.015 -10.645 1.00 0.00 C ATOM 144 O CYS A 11 11.646 11.993 -10.666 1.00 0.00 O ATOM 145 CB CYS A 11 8.564 13.586 -10.644 1.00 0.00 C ATOM 146 SG CYS A 11 7.510 14.781 -11.491 1.00 0.00 S ATOM 0 H CYS A 11 8.942 11.253 -11.729 1.00 0.00 H new ATOM 0 HA CYS A 11 9.958 14.006 -12.256 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.990 12.692 -10.401 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.917 14.005 -9.701 1.00 0.00 H new ATOM 151 N SER A 12 11.270 14.003 -9.846 1.00 0.00 N ATOM 152 CA SER A 12 12.415 13.938 -8.908 1.00 0.00 C ATOM 153 C SER A 12 11.951 14.508 -7.566 1.00 0.00 C ATOM 154 O SER A 12 11.068 15.335 -7.501 1.00 0.00 O ATOM 155 CB SER A 12 13.583 14.769 -9.479 1.00 0.00 C ATOM 156 OG SER A 12 13.130 15.479 -10.623 1.00 0.00 O ATOM 0 H SER A 12 10.739 14.873 -9.805 1.00 0.00 H new ATOM 0 HA SER A 12 12.758 12.912 -8.773 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.953 15.465 -8.726 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.414 14.116 -9.746 1.00 0.00 H new ATOM 0 HG SER A 12 13.878 15.973 -11.019 1.00 0.00 H new ATOM 162 N LEU A 13 12.547 14.072 -6.505 1.00 0.00 N ATOM 163 CA LEU A 13 12.179 14.574 -5.155 1.00 0.00 C ATOM 164 C LEU A 13 11.977 16.082 -5.208 1.00 0.00 C ATOM 165 O LEU A 13 10.922 16.603 -4.920 1.00 0.00 O ATOM 166 CB LEU A 13 13.354 14.270 -4.227 1.00 0.00 C ATOM 167 CG LEU A 13 13.199 15.005 -2.893 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.791 14.780 -2.345 1.00 0.00 C ATOM 169 CD2 LEU A 13 14.217 14.457 -1.903 1.00 0.00 C ATOM 0 H LEU A 13 13.290 13.374 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 13 11.260 14.102 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.415 13.196 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.287 14.568 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 13 13.363 16.072 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.682 15.304 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.058 15.162 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.626 13.713 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.113 14.975 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.045 13.391 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.223 14.612 -2.293 1.00 0.00 H new ATOM 181 N TYR A 14 13.007 16.763 -5.575 1.00 0.00 N ATOM 182 CA TYR A 14 12.959 18.250 -5.668 1.00 0.00 C ATOM 183 C TYR A 14 11.697 18.654 -6.409 1.00 0.00 C ATOM 184 O TYR A 14 10.967 19.531 -5.991 1.00 0.00 O ATOM 185 CB TYR A 14 14.197 18.734 -6.413 1.00 0.00 C ATOM 186 CG TYR A 14 15.362 17.868 -6.000 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.875 17.944 -4.699 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.912 16.982 -6.914 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.948 17.125 -4.325 1.00 0.00 C ATOM 190 CE2 TYR A 14 16.979 16.164 -6.549 1.00 0.00 C ATOM 191 CZ TYR A 14 17.501 16.233 -5.251 1.00 0.00 C ATOM 192 OH TYR A 14 18.558 15.424 -4.887 1.00 0.00 O ATOM 0 H TYR A 14 13.907 16.351 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 14 12.944 18.699 -4.675 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.041 18.673 -7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.398 19.779 -6.178 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.445 18.632 -3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.511 16.926 -7.915 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.348 17.182 -3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.403 15.477 -7.266 1.00 0.00 H new ATOM 0 HH TYR A 14 18.819 14.865 -5.648 1.00 0.00 H new ATOM 202 N GLN A 15 11.416 17.993 -7.489 1.00 0.00 N ATOM 203 CA GLN A 15 10.173 18.319 -8.228 1.00 0.00 C ATOM 204 C GLN A 15 9.003 17.982 -7.317 1.00 0.00 C ATOM 205 O GLN A 15 7.992 18.644 -7.327 1.00 0.00 O ATOM 206 CB GLN A 15 10.090 17.510 -9.526 1.00 0.00 C ATOM 207 CG GLN A 15 11.083 18.068 -10.546 1.00 0.00 C ATOM 208 CD GLN A 15 10.784 17.473 -11.909 1.00 0.00 C ATOM 209 OE1 GLN A 15 9.568 17.520 -12.350 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 11.661 16.962 -12.577 1.00 0.00 N flip ATOM 0 H GLN A 15 11.986 17.248 -7.890 1.00 0.00 H new ATOM 0 HA GLN A 15 10.157 19.374 -8.500 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.310 16.461 -9.327 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.078 17.553 -9.928 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.010 19.155 -10.586 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.103 17.828 -10.247 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.617 16.928 -12.224 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.441 16.567 -13.491 1.00 0.00 H new ATOM 219 N LEU A 16 9.143 16.977 -6.492 1.00 0.00 N ATOM 220 CA LEU A 16 8.023 16.645 -5.563 1.00 0.00 C ATOM 221 C LEU A 16 7.982 17.702 -4.468 1.00 0.00 C ATOM 222 O LEU A 16 6.935 18.075 -3.978 1.00 0.00 O ATOM 223 CB LEU A 16 8.232 15.255 -4.922 1.00 0.00 C ATOM 224 CG LEU A 16 7.306 14.215 -5.559 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.713 13.994 -7.006 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.413 12.897 -4.785 1.00 0.00 C ATOM 0 H LEU A 16 9.968 16.382 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 16 7.087 16.627 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.270 14.946 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.040 15.311 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 16 6.277 14.572 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.054 13.254 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.635 14.933 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.742 13.636 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.754 12.155 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.442 12.538 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.119 13.059 -3.748 1.00 0.00 H new ATOM 238 N GLU A 17 9.124 18.165 -4.072 1.00 0.00 N ATOM 239 CA GLU A 17 9.183 19.170 -3.000 1.00 0.00 C ATOM 240 C GLU A 17 8.510 20.458 -3.442 1.00 0.00 C ATOM 241 O GLU A 17 7.863 21.144 -2.677 1.00 0.00 O ATOM 242 CB GLU A 17 10.637 19.477 -2.694 1.00 0.00 C ATOM 243 CG GLU A 17 11.366 18.221 -2.181 1.00 0.00 C ATOM 244 CD GLU A 17 12.522 18.625 -1.258 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.065 19.698 -1.458 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.841 17.853 -0.369 1.00 0.00 O ATOM 0 H GLU A 17 10.028 17.884 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 17 8.673 18.776 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.131 19.849 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.697 20.268 -1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.668 17.580 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.747 17.643 -3.023 1.00 0.00 H new ATOM 253 N ASN A 18 8.689 20.787 -4.672 1.00 0.00 N ATOM 254 CA ASN A 18 8.104 22.039 -5.222 1.00 0.00 C ATOM 255 C ASN A 18 6.627 22.137 -4.845 1.00 0.00 C ATOM 256 O ASN A 18 6.092 23.204 -4.618 1.00 0.00 O ATOM 257 CB ASN A 18 8.227 21.982 -6.757 1.00 0.00 C ATOM 258 CG ASN A 18 9.427 22.807 -7.238 1.00 0.00 C ATOM 259 OD1 ASN A 18 10.343 22.234 -7.970 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 9.530 23.981 -6.944 1.00 0.00 N flip ATOM 0 H ASN A 18 9.226 20.236 -5.342 1.00 0.00 H new ATOM 0 HA ASN A 18 8.629 22.905 -4.819 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.339 20.947 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.313 22.361 -7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.814 24.428 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.333 24.520 -7.269 1.00 0.00 H new ATOM 267 N TYR A 19 5.969 21.032 -4.847 1.00 0.00 N ATOM 268 CA TYR A 19 4.508 21.011 -4.568 1.00 0.00 C ATOM 269 C TYR A 19 4.192 20.891 -3.076 1.00 0.00 C ATOM 270 O TYR A 19 3.043 20.810 -2.705 1.00 0.00 O ATOM 271 CB TYR A 19 3.925 19.821 -5.314 1.00 0.00 C ATOM 272 CG TYR A 19 4.438 19.851 -6.737 1.00 0.00 C ATOM 273 CD1 TYR A 19 4.108 20.917 -7.570 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.249 18.823 -7.214 1.00 0.00 C ATOM 275 CE1 TYR A 19 4.587 20.962 -8.885 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.733 18.861 -8.531 1.00 0.00 C ATOM 277 CZ TYR A 19 5.402 19.933 -9.365 1.00 0.00 C ATOM 278 OH TYR A 19 5.876 19.973 -10.661 1.00 0.00 O ATOM 0 H TYR A 19 6.381 20.118 -5.033 1.00 0.00 H new ATOM 0 HA TYR A 19 4.072 21.953 -4.899 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.213 18.890 -4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.836 19.863 -5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.479 21.713 -7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.506 17.996 -6.569 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.327 21.790 -9.527 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.360 18.063 -8.900 1.00 0.00 H new ATOM 0 HH TYR A 19 6.428 19.181 -10.832 1.00 0.00 H new ATOM 288 N CYS A 20 5.157 20.875 -2.203 1.00 0.00 N ATOM 289 CA CYS A 20 4.791 20.766 -0.765 1.00 0.00 C ATOM 290 C CYS A 20 4.255 22.097 -0.257 1.00 0.00 C ATOM 291 O CYS A 20 4.913 22.807 0.477 1.00 0.00 O ATOM 292 CB CYS A 20 5.985 20.392 0.068 1.00 0.00 C ATOM 293 SG CYS A 20 6.708 18.869 -0.560 1.00 0.00 S ATOM 0 H CYS A 20 6.154 20.931 -2.412 1.00 0.00 H new ATOM 0 HA CYS A 20 4.029 19.992 -0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.723 21.194 0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.689 20.263 1.109 1.00 0.00 H new ATOM 298 N ASN A 21 3.061 22.426 -0.626 1.00 0.00 N ATOM 299 CA ASN A 21 2.452 23.699 -0.156 1.00 0.00 C ATOM 300 C ASN A 21 3.444 24.854 -0.340 1.00 0.00 C ATOM 301 O ASN A 21 4.248 25.065 0.553 1.00 0.00 O ATOM 302 CB ASN A 21 2.103 23.560 1.325 1.00 0.00 C ATOM 303 CG ASN A 21 1.450 24.850 1.827 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.782 25.929 1.378 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.528 24.784 2.749 1.00 0.00 N ATOM 306 OXT ASN A 21 3.378 25.513 -1.363 1.00 0.00 O ATOM 0 H ASN A 21 2.469 21.866 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 21 1.553 23.909 -0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.426 22.718 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.003 23.349 1.902 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.087 25.638 3.092 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.248 23.879 3.127 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 16.136 9.299 -3.497 1.00 0.00 N ATOM 315 CA PHE B 22 14.678 9.107 -3.738 1.00 0.00 C ATOM 316 C PHE B 22 14.481 7.953 -4.729 1.00 0.00 C ATOM 317 O PHE B 22 15.062 6.896 -4.583 1.00 0.00 O ATOM 318 CB PHE B 22 14.086 10.411 -4.303 1.00 0.00 C ATOM 319 CG PHE B 22 12.605 10.495 -3.984 1.00 0.00 C ATOM 320 CD1 PHE B 22 12.189 10.678 -2.660 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.651 10.389 -5.007 1.00 0.00 C ATOM 322 CE1 PHE B 22 10.825 10.753 -2.357 1.00 0.00 C ATOM 323 CE2 PHE B 22 10.285 10.466 -4.703 1.00 0.00 C ATOM 324 CZ PHE B 22 9.872 10.647 -3.377 1.00 0.00 C ATOM 0 HA PHE B 22 14.169 8.862 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.606 11.269 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.236 10.450 -5.382 1.00 0.00 H new ATOM 0 HD1 PHE B 22 12.922 10.761 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE B 22 11.969 10.248 -6.029 1.00 0.00 H new ATOM 0 HE1 PHE B 22 10.507 10.893 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.551 10.386 -5.491 1.00 0.00 H new ATOM 0 HZ PHE B 22 8.820 10.705 -3.142 1.00 0.00 H new ATOM 336 N VAL B 23 13.663 8.139 -5.731 1.00 0.00 N ATOM 337 CA VAL B 23 13.429 7.046 -6.719 1.00 0.00 C ATOM 338 C VAL B 23 13.099 7.646 -8.090 1.00 0.00 C ATOM 339 O VAL B 23 12.796 8.816 -8.214 1.00 0.00 O ATOM 340 CB VAL B 23 12.259 6.192 -6.241 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.079 7.105 -5.942 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.868 5.180 -7.324 1.00 0.00 C ATOM 0 H VAL B 23 13.147 9.001 -5.908 1.00 0.00 H new ATOM 0 HA VAL B 23 14.326 6.433 -6.807 1.00 0.00 H new ATOM 0 HB VAL B 23 12.547 5.647 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.234 6.507 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.358 7.818 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.798 7.645 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.032 4.576 -6.972 1.00 0.00 H new ATOM 0 HG22 VAL B 23 11.576 5.711 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.718 4.533 -7.541 1.00 0.00 H new ATOM 352 N ASN B 24 13.148 6.835 -9.114 1.00 0.00 N ATOM 353 CA ASN B 24 12.833 7.305 -10.498 1.00 0.00 C ATOM 354 C ASN B 24 11.705 6.433 -11.052 1.00 0.00 C ATOM 355 O ASN B 24 11.918 5.598 -11.908 1.00 0.00 O ATOM 356 CB ASN B 24 14.082 7.152 -11.375 1.00 0.00 C ATOM 357 CG ASN B 24 15.026 8.334 -11.141 1.00 0.00 C ATOM 358 OD1 ASN B 24 15.797 8.334 -10.202 1.00 0.00 O ATOM 359 ND2 ASN B 24 14.996 9.349 -11.961 1.00 0.00 N ATOM 0 H ASN B 24 13.398 5.848 -9.049 1.00 0.00 H new ATOM 0 HA ASN B 24 12.527 8.351 -10.489 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.590 6.217 -11.141 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.796 7.105 -12.426 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.620 10.142 -11.814 1.00 0.00 H new ATOM 0 HD22 ASN B 24 14.349 9.349 -12.749 1.00 0.00 H new ATOM 366 N GLN B 25 10.509 6.609 -10.545 1.00 0.00 N ATOM 367 CA GLN B 25 9.346 5.786 -11.003 1.00 0.00 C ATOM 368 C GLN B 25 8.255 6.693 -11.578 1.00 0.00 C ATOM 369 O GLN B 25 8.284 7.899 -11.433 1.00 0.00 O ATOM 370 CB GLN B 25 8.783 5.029 -9.782 1.00 0.00 C ATOM 371 CG GLN B 25 9.464 3.664 -9.640 1.00 0.00 C ATOM 372 CD GLN B 25 8.833 2.898 -8.477 1.00 0.00 C ATOM 373 OE1 GLN B 25 7.965 3.500 -7.711 1.00 0.00 O flip ATOM 374 NE2 GLN B 25 9.132 1.740 -8.263 1.00 0.00 N flip ATOM 0 H GLN B 25 10.287 7.296 -9.825 1.00 0.00 H new ATOM 0 HA GLN B 25 9.668 5.088 -11.776 1.00 0.00 H new ATOM 0 HB2 GLN B 25 8.940 5.617 -8.878 1.00 0.00 H new ATOM 0 HB3 GLN B 25 7.707 4.896 -9.893 1.00 0.00 H new ATOM 0 HG2 GLN B 25 9.359 3.095 -10.564 1.00 0.00 H new ATOM 0 HG3 GLN B 25 10.532 3.795 -9.466 1.00 0.00 H new ATOM 0 HE21 GLN B 25 9.811 1.269 -8.862 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.704 1.238 -7.485 1.00 0.00 H new ATOM 383 N HIS B 26 7.273 6.099 -12.203 1.00 0.00 N ATOM 384 CA HIS B 26 6.142 6.887 -12.767 1.00 0.00 C ATOM 385 C HIS B 26 5.076 6.992 -11.679 1.00 0.00 C ATOM 386 O HIS B 26 4.235 6.127 -11.531 1.00 0.00 O ATOM 387 CB HIS B 26 5.569 6.157 -13.994 1.00 0.00 C ATOM 388 CG HIS B 26 6.342 6.540 -15.227 1.00 0.00 C ATOM 389 ND1 HIS B 26 5.879 7.498 -16.118 1.00 0.00 N ATOM 390 CD2 HIS B 26 7.545 6.107 -15.731 1.00 0.00 C ATOM 391 CE1 HIS B 26 6.789 7.611 -17.103 1.00 0.00 C ATOM 392 NE2 HIS B 26 7.819 6.786 -16.912 1.00 0.00 N ATOM 0 H HIS B 26 7.207 5.091 -12.347 1.00 0.00 H new ATOM 0 HA HIS B 26 6.472 7.878 -13.078 1.00 0.00 H new ATOM 0 HB2 HIS B 26 5.620 5.079 -13.843 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.517 6.412 -14.121 1.00 0.00 H new ATOM 0 HD1 HIS B 26 5.007 8.022 -16.040 1.00 0.00 H new ATOM 0 HD2 HIS B 26 8.178 5.357 -15.280 1.00 0.00 H new ATOM 0 HE1 HIS B 26 6.697 8.285 -17.942 1.00 0.00 H new ATOM 400 N LEU B 27 5.125 8.029 -10.897 1.00 0.00 N ATOM 401 CA LEU B 27 4.141 8.177 -9.792 1.00 0.00 C ATOM 402 C LEU B 27 2.844 8.791 -10.312 1.00 0.00 C ATOM 403 O LEU B 27 2.859 9.688 -11.126 1.00 0.00 O ATOM 404 CB LEU B 27 4.712 9.093 -8.710 1.00 0.00 C ATOM 405 CG LEU B 27 6.169 8.732 -8.384 1.00 0.00 C ATOM 406 CD1 LEU B 27 6.802 9.869 -7.579 1.00 0.00 C ATOM 407 CD2 LEU B 27 6.204 7.451 -7.549 1.00 0.00 C ATOM 0 H LEU B 27 5.806 8.784 -10.975 1.00 0.00 H new ATOM 0 HA LEU B 27 3.938 7.188 -9.380 1.00 0.00 H new ATOM 0 HB2 LEU B 27 4.658 10.130 -9.042 1.00 0.00 H new ATOM 0 HB3 LEU B 27 4.105 9.015 -7.808 1.00 0.00 H new ATOM 0 HG LEU B 27 6.721 8.580 -9.311 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.836 9.617 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.776 10.788 -8.165 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.245 10.013 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.238 7.195 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU B 27 5.653 7.606 -6.622 1.00 0.00 H new ATOM 0 HD23 LEU B 27 5.746 6.637 -8.112 1.00 0.00 H new ATOM 419 N CYS B 28 1.716 8.333 -9.828 1.00 0.00 N ATOM 420 CA CYS B 28 0.419 8.911 -10.289 1.00 0.00 C ATOM 421 C CYS B 28 -0.566 8.976 -9.124 1.00 0.00 C ATOM 422 O CYS B 28 -0.869 7.985 -8.491 1.00 0.00 O ATOM 423 CB CYS B 28 -0.164 8.035 -11.399 1.00 0.00 C ATOM 424 SG CYS B 28 1.077 7.799 -12.695 1.00 0.00 S ATOM 0 H CYS B 28 1.639 7.587 -9.137 1.00 0.00 H new ATOM 0 HA CYS B 28 0.592 9.918 -10.669 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.470 7.071 -10.993 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -1.056 8.503 -11.816 1.00 0.00 H new ATOM 429 N GLY B 29 -1.079 10.147 -8.861 1.00 0.00 N ATOM 430 CA GLY B 29 -2.068 10.327 -7.761 1.00 0.00 C ATOM 431 C GLY B 29 -1.707 9.479 -6.538 1.00 0.00 C ATOM 432 O GLY B 29 -0.792 9.783 -5.812 1.00 0.00 O ATOM 0 H GLY B 29 -0.850 11.000 -9.371 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -2.110 11.378 -7.477 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -3.062 10.052 -8.115 1.00 0.00 H new ATOM 436 N SER B 30 -2.448 8.432 -6.295 1.00 0.00 N ATOM 437 CA SER B 30 -2.186 7.567 -5.103 1.00 0.00 C ATOM 438 C SER B 30 -0.683 7.394 -4.855 1.00 0.00 C ATOM 439 O SER B 30 -0.175 7.757 -3.813 1.00 0.00 O ATOM 440 CB SER B 30 -2.823 6.195 -5.323 1.00 0.00 C ATOM 441 OG SER B 30 -2.398 5.309 -4.296 1.00 0.00 O ATOM 0 H SER B 30 -3.232 8.134 -6.876 1.00 0.00 H new ATOM 0 HA SER B 30 -2.622 8.052 -4.229 1.00 0.00 H new ATOM 0 HB2 SER B 30 -3.910 6.281 -5.318 1.00 0.00 H new ATOM 0 HB3 SER B 30 -2.539 5.802 -6.299 1.00 0.00 H new ATOM 0 HG SER B 30 -2.806 4.429 -4.434 1.00 0.00 H new ATOM 447 N ASP B 31 0.032 6.838 -5.790 1.00 0.00 N ATOM 448 CA ASP B 31 1.494 6.641 -5.583 1.00 0.00 C ATOM 449 C ASP B 31 2.185 8.001 -5.451 1.00 0.00 C ATOM 450 O ASP B 31 3.031 8.199 -4.606 1.00 0.00 O ATOM 451 CB ASP B 31 2.073 5.880 -6.779 1.00 0.00 C ATOM 452 CG ASP B 31 1.093 4.788 -7.211 1.00 0.00 C ATOM 453 OD1 ASP B 31 0.019 5.133 -7.676 1.00 0.00 O ATOM 454 OD2 ASP B 31 1.432 3.624 -7.067 1.00 0.00 O ATOM 0 H ASP B 31 -0.330 6.512 -6.686 1.00 0.00 H new ATOM 0 HA ASP B 31 1.660 6.068 -4.671 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.257 6.566 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.033 5.438 -6.512 1.00 0.00 H new ATOM 459 N LEU B 32 1.826 8.930 -6.289 1.00 0.00 N ATOM 460 CA LEU B 32 2.445 10.287 -6.247 1.00 0.00 C ATOM 461 C LEU B 32 2.043 10.993 -4.969 1.00 0.00 C ATOM 462 O LEU B 32 2.868 11.295 -4.137 1.00 0.00 O ATOM 463 CB LEU B 32 1.943 11.051 -7.470 1.00 0.00 C ATOM 464 CG LEU B 32 2.298 12.538 -7.400 1.00 0.00 C ATOM 465 CD1 LEU B 32 3.825 12.718 -7.206 1.00 0.00 C ATOM 466 CD2 LEU B 32 1.819 13.196 -8.712 1.00 0.00 C ATOM 0 H LEU B 32 1.119 8.807 -7.014 1.00 0.00 H new ATOM 0 HA LEU B 32 3.533 10.225 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.375 10.617 -8.372 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.862 10.939 -7.549 1.00 0.00 H new ATOM 0 HG LEU B 32 1.809 13.012 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU B 32 4.063 13.781 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.133 12.235 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.354 12.265 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.058 14.259 -8.694 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.320 12.726 -9.559 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.741 13.068 -8.811 1.00 0.00 H new ATOM 478 N VAL B 33 0.785 11.247 -4.802 1.00 0.00 N ATOM 479 CA VAL B 33 0.301 11.910 -3.565 1.00 0.00 C ATOM 480 C VAL B 33 1.053 11.329 -2.375 1.00 0.00 C ATOM 481 O VAL B 33 1.720 12.022 -1.634 1.00 0.00 O ATOM 482 CB VAL B 33 -1.187 11.604 -3.402 1.00 0.00 C ATOM 483 CG1 VAL B 33 -1.644 11.963 -1.977 1.00 0.00 C ATOM 484 CG2 VAL B 33 -1.974 12.402 -4.438 1.00 0.00 C ATOM 0 H VAL B 33 0.057 11.021 -5.479 1.00 0.00 H new ATOM 0 HA VAL B 33 0.462 12.986 -3.622 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.366 10.540 -3.558 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.706 11.742 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.076 11.377 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.474 13.025 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -3.038 12.190 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.799 13.467 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.648 12.120 -5.439 1.00 0.00 H new ATOM 494 N GLU B 34 0.965 10.043 -2.215 1.00 0.00 N ATOM 495 CA GLU B 34 1.694 9.392 -1.099 1.00 0.00 C ATOM 496 C GLU B 34 3.160 9.809 -1.205 1.00 0.00 C ATOM 497 O GLU B 34 3.810 10.107 -0.223 1.00 0.00 O ATOM 498 CB GLU B 34 1.573 7.871 -1.212 1.00 0.00 C ATOM 499 CG GLU B 34 0.166 7.438 -0.795 1.00 0.00 C ATOM 500 CD GLU B 34 0.079 5.911 -0.796 1.00 0.00 C ATOM 501 OE1 GLU B 34 1.088 5.280 -1.065 1.00 0.00 O ATOM 502 OE2 GLU B 34 -0.995 5.398 -0.527 1.00 0.00 O ATOM 0 H GLU B 34 0.421 9.415 -2.807 1.00 0.00 H new ATOM 0 HA GLU B 34 1.277 9.695 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU B 34 1.774 7.555 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.316 7.388 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -0.066 7.825 0.197 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.572 7.855 -1.480 1.00 0.00 H new ATOM 509 N ALA B 35 3.668 9.872 -2.409 1.00 0.00 N ATOM 510 CA ALA B 35 5.073 10.317 -2.600 1.00 0.00 C ATOM 511 C ALA B 35 5.188 11.724 -2.032 1.00 0.00 C ATOM 512 O ALA B 35 6.178 12.078 -1.441 1.00 0.00 O ATOM 513 CB ALA B 35 5.440 10.319 -4.099 1.00 0.00 C ATOM 0 H ALA B 35 3.168 9.634 -3.265 1.00 0.00 H new ATOM 0 HA ALA B 35 5.758 9.638 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA B 35 6.472 10.647 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA B 35 5.330 9.312 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA B 35 4.778 10.999 -4.635 1.00 0.00 H new ATOM 519 N LEU B 36 4.177 12.537 -2.180 1.00 0.00 N ATOM 520 CA LEU B 36 4.276 13.899 -1.615 1.00 0.00 C ATOM 521 C LEU B 36 4.122 13.813 -0.101 1.00 0.00 C ATOM 522 O LEU B 36 4.990 14.224 0.641 1.00 0.00 O ATOM 523 CB LEU B 36 3.192 14.775 -2.201 1.00 0.00 C ATOM 524 CG LEU B 36 3.527 15.088 -3.672 1.00 0.00 C ATOM 525 CD1 LEU B 36 2.255 15.596 -4.375 1.00 0.00 C ATOM 526 CD2 LEU B 36 4.674 16.139 -3.755 1.00 0.00 C ATOM 0 H LEU B 36 3.304 12.317 -2.660 1.00 0.00 H new ATOM 0 HA LEU B 36 5.245 14.335 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.227 14.272 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.109 15.700 -1.631 1.00 0.00 H new ATOM 0 HG LEU B 36 3.874 14.184 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.481 15.821 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.482 14.829 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.900 16.499 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.899 16.350 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.362 17.058 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.564 15.746 -3.264 1.00 0.00 H new ATOM 538 N TYR B 37 3.035 13.254 0.368 1.00 0.00 N ATOM 539 CA TYR B 37 2.840 13.109 1.839 1.00 0.00 C ATOM 540 C TYR B 37 4.131 12.563 2.445 1.00 0.00 C ATOM 541 O TYR B 37 4.488 12.852 3.567 1.00 0.00 O ATOM 542 CB TYR B 37 1.702 12.129 2.103 1.00 0.00 C ATOM 543 CG TYR B 37 1.503 12.017 3.587 1.00 0.00 C ATOM 544 CD1 TYR B 37 2.322 11.170 4.339 1.00 0.00 C ATOM 545 CD2 TYR B 37 0.511 12.771 4.211 1.00 0.00 C ATOM 546 CE1 TYR B 37 2.144 11.075 5.723 1.00 0.00 C ATOM 547 CE2 TYR B 37 0.330 12.681 5.593 1.00 0.00 C ATOM 548 CZ TYR B 37 1.146 11.832 6.352 1.00 0.00 C ATOM 549 OH TYR B 37 0.968 11.741 7.717 1.00 0.00 O ATOM 0 H TYR B 37 2.274 12.892 -0.207 1.00 0.00 H new ATOM 0 HA TYR B 37 2.595 14.073 2.284 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.786 12.474 1.623 1.00 0.00 H new ATOM 0 HB3 TYR B 37 1.936 11.153 1.678 1.00 0.00 H new ATOM 0 HD1 TYR B 37 3.091 10.589 3.852 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.118 13.425 3.626 1.00 0.00 H new ATOM 0 HE1 TYR B 37 2.774 10.420 6.306 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -0.439 13.266 6.076 1.00 0.00 H new ATOM 0 HH TYR B 37 0.236 12.332 7.992 1.00 0.00 H new ATOM 559 N LEU B 38 4.837 11.787 1.680 1.00 0.00 N ATOM 560 CA LEU B 38 6.118 11.220 2.145 1.00 0.00 C ATOM 561 C LEU B 38 7.175 12.322 2.084 1.00 0.00 C ATOM 562 O LEU B 38 7.914 12.554 3.020 1.00 0.00 O ATOM 563 CB LEU B 38 6.483 10.076 1.195 1.00 0.00 C ATOM 564 CG LEU B 38 7.850 9.475 1.567 1.00 0.00 C ATOM 565 CD1 LEU B 38 7.927 8.029 1.054 1.00 0.00 C ATOM 566 CD2 LEU B 38 9.007 10.307 0.959 1.00 0.00 C ATOM 0 H LEU B 38 4.571 11.519 0.733 1.00 0.00 H new ATOM 0 HA LEU B 38 6.053 10.845 3.166 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.716 9.302 1.238 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.509 10.443 0.169 1.00 0.00 H new ATOM 0 HG LEU B 38 7.952 9.490 2.652 1.00 0.00 H new ATOM 0 HD11 LEU B 38 8.895 7.601 1.316 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.133 7.438 1.511 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.808 8.021 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.962 9.860 1.237 1.00 0.00 H new ATOM 0 HD22 LEU B 38 8.915 10.319 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU B 38 8.960 11.328 1.338 1.00 0.00 H new ATOM 578 N VAL B 39 7.233 13.003 0.977 1.00 0.00 N ATOM 579 CA VAL B 39 8.216 14.109 0.800 1.00 0.00 C ATOM 580 C VAL B 39 7.786 15.322 1.637 1.00 0.00 C ATOM 581 O VAL B 39 8.504 15.795 2.496 1.00 0.00 O ATOM 582 CB VAL B 39 8.232 14.500 -0.691 1.00 0.00 C ATOM 583 CG1 VAL B 39 8.901 15.856 -0.895 1.00 0.00 C ATOM 584 CG2 VAL B 39 8.977 13.437 -1.498 1.00 0.00 C ATOM 0 H VAL B 39 6.630 12.838 0.171 1.00 0.00 H new ATOM 0 HA VAL B 39 9.206 13.788 1.123 1.00 0.00 H new ATOM 0 HB VAL B 39 7.200 14.568 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.899 16.107 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.354 16.619 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.929 15.812 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL B 39 8.985 13.719 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL B 39 10.002 13.357 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL B 39 8.476 12.476 -1.383 1.00 0.00 H new ATOM 594 N CYS B 40 6.632 15.844 1.345 1.00 0.00 N ATOM 595 CA CYS B 40 6.124 17.054 2.051 1.00 0.00 C ATOM 596 C CYS B 40 5.786 16.768 3.516 1.00 0.00 C ATOM 597 O CYS B 40 6.156 17.514 4.400 1.00 0.00 O ATOM 598 CB CYS B 40 4.857 17.477 1.333 1.00 0.00 C ATOM 599 SG CYS B 40 5.202 17.541 -0.438 1.00 0.00 S ATOM 0 H CYS B 40 6.003 15.476 0.631 1.00 0.00 H new ATOM 0 HA CYS B 40 6.892 17.827 2.040 1.00 0.00 H new ATOM 0 HB2 CYS B 40 4.051 16.772 1.537 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.526 18.452 1.691 1.00 0.00 H new ATOM 604 N GLY B 41 5.082 15.710 3.785 1.00 0.00 N ATOM 605 CA GLY B 41 4.721 15.403 5.197 1.00 0.00 C ATOM 606 C GLY B 41 3.795 16.487 5.758 1.00 0.00 C ATOM 607 O GLY B 41 2.719 16.726 5.246 1.00 0.00 O ATOM 0 H GLY B 41 4.740 15.044 3.092 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.229 14.432 5.251 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.624 15.337 5.804 1.00 0.00 H new ATOM 611 N GLU B 42 4.197 17.126 6.822 1.00 0.00 N ATOM 612 CA GLU B 42 3.339 18.177 7.446 1.00 0.00 C ATOM 613 C GLU B 42 3.083 19.325 6.470 1.00 0.00 C ATOM 614 O GLU B 42 1.981 19.829 6.374 1.00 0.00 O ATOM 615 CB GLU B 42 4.054 18.730 8.685 1.00 0.00 C ATOM 616 CG GLU B 42 3.168 19.761 9.404 1.00 0.00 C ATOM 617 CD GLU B 42 2.080 19.038 10.200 1.00 0.00 C ATOM 618 OE1 GLU B 42 2.416 18.412 11.192 1.00 0.00 O ATOM 619 OE2 GLU B 42 0.929 19.123 9.805 1.00 0.00 O ATOM 0 H GLU B 42 5.089 16.965 7.290 1.00 0.00 H new ATOM 0 HA GLU B 42 2.383 17.730 7.718 1.00 0.00 H new ATOM 0 HB2 GLU B 42 4.298 17.914 9.365 1.00 0.00 H new ATOM 0 HB3 GLU B 42 4.996 19.193 8.392 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.774 20.374 10.071 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.714 20.435 8.677 1.00 0.00 H new ATOM 626 N ARG B 43 4.086 19.774 5.779 1.00 0.00 N ATOM 627 CA ARG B 43 3.882 20.921 4.857 1.00 0.00 C ATOM 628 C ARG B 43 2.637 20.704 3.994 1.00 0.00 C ATOM 629 O ARG B 43 2.138 21.626 3.383 1.00 0.00 O ATOM 630 CB ARG B 43 5.099 21.092 3.943 1.00 0.00 C ATOM 631 CG ARG B 43 6.383 20.812 4.709 1.00 0.00 C ATOM 632 CD ARG B 43 7.575 21.114 3.804 1.00 0.00 C ATOM 633 NE ARG B 43 8.348 19.854 3.635 1.00 0.00 N ATOM 634 CZ ARG B 43 8.922 19.267 4.646 1.00 0.00 C ATOM 635 NH1 ARG B 43 8.903 19.829 5.824 1.00 0.00 N ATOM 636 NH2 ARG B 43 9.517 18.118 4.480 1.00 0.00 N ATOM 0 H ARG B 43 5.034 19.400 5.811 1.00 0.00 H new ATOM 0 HA ARG B 43 3.750 21.818 5.461 1.00 0.00 H new ATOM 0 HB2 ARG B 43 5.021 20.415 3.093 1.00 0.00 H new ATOM 0 HB3 ARG B 43 5.121 22.105 3.542 1.00 0.00 H new ATOM 0 HG2 ARG B 43 6.427 21.427 5.608 1.00 0.00 H new ATOM 0 HG3 ARG B 43 6.410 19.771 5.033 1.00 0.00 H new ATOM 0 HD2 ARG B 43 7.236 21.487 2.837 1.00 0.00 H new ATOM 0 HD3 ARG B 43 8.201 21.890 4.243 1.00 0.00 H new ATOM 0 HE ARG B 43 8.430 19.441 2.706 1.00 0.00 H new ATOM 0 HH11 ARG B 43 8.439 20.728 5.953 1.00 0.00 H new ATOM 0 HH12 ARG B 43 9.353 19.369 6.616 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.532 17.680 3.559 1.00 0.00 H new ATOM 0 HH22 ARG B 43 9.967 17.658 5.271 1.00 0.00 H new ATOM 650 N GLY B 44 2.139 19.501 3.910 1.00 0.00 N ATOM 651 CA GLY B 44 0.945 19.276 3.047 1.00 0.00 C ATOM 652 C GLY B 44 1.397 19.414 1.595 1.00 0.00 C ATOM 653 O GLY B 44 2.569 19.564 1.329 1.00 0.00 O ATOM 0 H GLY B 44 2.499 18.677 4.392 1.00 0.00 H new ATOM 0 HA2 GLY B 44 0.524 18.287 3.225 1.00 0.00 H new ATOM 0 HA3 GLY B 44 0.164 20.001 3.276 1.00 0.00 H new ATOM 657 N PHE B 45 0.511 19.365 0.643 1.00 0.00 N ATOM 658 CA PHE B 45 0.986 19.488 -0.763 1.00 0.00 C ATOM 659 C PHE B 45 -0.201 19.678 -1.731 1.00 0.00 C ATOM 660 O PHE B 45 -1.345 19.519 -1.339 1.00 0.00 O ATOM 661 CB PHE B 45 1.723 18.205 -1.117 1.00 0.00 C ATOM 662 CG PHE B 45 0.888 17.019 -0.716 1.00 0.00 C ATOM 663 CD1 PHE B 45 -0.069 16.513 -1.590 1.00 0.00 C ATOM 664 CD2 PHE B 45 1.081 16.425 0.531 1.00 0.00 C ATOM 665 CE1 PHE B 45 -0.838 15.402 -1.218 1.00 0.00 C ATOM 666 CE2 PHE B 45 0.316 15.319 0.907 1.00 0.00 C ATOM 667 CZ PHE B 45 -0.642 14.806 0.034 1.00 0.00 C ATOM 0 H PHE B 45 -0.494 19.249 0.769 1.00 0.00 H new ATOM 0 HA PHE B 45 1.639 20.356 -0.854 1.00 0.00 H new ATOM 0 HB2 PHE B 45 1.927 18.174 -2.187 1.00 0.00 H new ATOM 0 HB3 PHE B 45 2.686 18.174 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.219 16.976 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE B 45 1.824 16.821 1.207 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -1.580 15.006 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE B 45 0.466 14.861 1.874 1.00 0.00 H new ATOM 0 HZ PHE B 45 -1.233 13.949 0.323 1.00 0.00 H new HETATM 677 N 23F B 46 0.050 20.029 -3.084 1.00 0.00 N HETATM 678 CA 23F B 46 -1.004 20.204 -4.009 1.00 0.00 C HETATM 679 C 23F B 46 -1.837 19.014 -4.401 1.00 0.00 C HETATM 680 CB 23F B 46 -1.283 21.451 -4.589 1.00 0.00 C HETATM 681 CG 23F B 46 -0.489 22.726 -4.391 1.00 0.00 C HETATM 682 CD1 23F B 46 0.759 22.838 -3.593 1.00 0.00 C HETATM 683 CD2 23F B 46 -0.964 23.923 -5.107 1.00 0.00 C HETATM 684 CE1 23F B 46 1.474 24.088 -3.546 1.00 0.00 C HETATM 685 CE2 23F B 46 -0.244 25.140 -5.041 1.00 0.00 C HETATM 686 CZ 23F B 46 0.977 25.239 -4.268 1.00 0.00 C HETATM 687 O 23F B 46 -1.503 18.335 -5.354 1.00 0.00 O HETATM 0 HZ 23F B 46 1.522 26.182 -4.230 1.00 0.00 H new HETATM 0 HE2 23F B 46 -0.613 26.013 -5.579 1.00 0.00 H new HETATM 0 HE1 23F B 46 2.393 24.167 -2.964 1.00 0.00 H new HETATM 0 HD2 23F B 46 -1.881 23.871 -5.694 1.00 0.00 H new HETATM 0 HD1 23F B 46 1.134 21.975 -3.043 1.00 0.00 H new HETATM 0 HB 23F B 46 -2.153 21.508 -5.244 1.00 0.00 H new ATOM 695 N TYR B 47 -3.008 18.694 -3.700 1.00 0.00 N ATOM 696 CA TYR B 47 -3.861 17.518 -4.112 1.00 0.00 C ATOM 697 C TYR B 47 -5.087 17.457 -3.189 1.00 0.00 C ATOM 698 O TYR B 47 -4.971 17.216 -2.003 1.00 0.00 O ATOM 699 CB TYR B 47 -3.062 16.179 -4.020 1.00 0.00 C ATOM 700 CG TYR B 47 -2.988 15.495 -5.375 1.00 0.00 C ATOM 701 CD1 TYR B 47 -4.163 15.053 -5.994 1.00 0.00 C ATOM 702 CD2 TYR B 47 -1.746 15.284 -6.000 1.00 0.00 C ATOM 703 CE1 TYR B 47 -4.103 14.408 -7.235 1.00 0.00 C ATOM 704 CE2 TYR B 47 -1.689 14.636 -7.238 1.00 0.00 C ATOM 705 CZ TYR B 47 -2.866 14.199 -7.857 1.00 0.00 C ATOM 706 OH TYR B 47 -2.807 13.560 -9.078 1.00 0.00 O ATOM 0 H TYR B 47 -3.355 19.212 -2.893 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.170 17.649 -5.149 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.055 16.377 -3.653 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.539 15.515 -3.299 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.117 15.210 -5.513 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.837 15.622 -5.524 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.011 14.071 -7.713 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.735 14.472 -7.717 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.629 13.738 -9.581 1.00 0.00 H new ATOM 716 N THR B 48 -6.259 17.668 -3.726 1.00 0.00 N ATOM 717 CA THR B 48 -7.492 17.617 -2.885 1.00 0.00 C ATOM 718 C THR B 48 -8.024 16.182 -2.855 1.00 0.00 C ATOM 719 O THR B 48 -7.399 15.270 -3.357 1.00 0.00 O ATOM 720 CB THR B 48 -8.554 18.542 -3.484 1.00 0.00 C ATOM 721 OG1 THR B 48 -9.709 18.532 -2.657 1.00 0.00 O ATOM 722 CG2 THR B 48 -8.922 18.058 -4.887 1.00 0.00 C ATOM 0 H THR B 48 -6.417 17.874 -4.712 1.00 0.00 H new ATOM 0 HA THR B 48 -7.258 17.941 -1.871 1.00 0.00 H new ATOM 0 HB THR B 48 -8.161 19.557 -3.545 1.00 0.00 H new ATOM 0 HG1 THR B 48 -10.389 19.125 -3.038 1.00 0.00 H new ATOM 0 HG21 THR B 48 -9.678 18.717 -5.313 1.00 0.00 H new ATOM 0 HG22 THR B 48 -8.034 18.068 -5.520 1.00 0.00 H new ATOM 0 HG23 THR B 48 -9.316 17.043 -4.830 1.00 0.00 H new ATOM 730 N LYS B 49 -9.180 15.977 -2.277 1.00 0.00 N ATOM 731 CA LYS B 49 -9.766 14.600 -2.216 1.00 0.00 C ATOM 732 C LYS B 49 -11.308 14.690 -2.227 1.00 0.00 C ATOM 733 O LYS B 49 -11.921 14.205 -3.156 1.00 0.00 O ATOM 734 CB LYS B 49 -9.258 13.861 -0.952 1.00 0.00 C ATOM 735 CG LYS B 49 -8.124 12.883 -1.315 1.00 0.00 C ATOM 736 CD LYS B 49 -8.707 11.579 -1.895 1.00 0.00 C ATOM 737 CE LYS B 49 -9.051 10.599 -0.765 1.00 0.00 C ATOM 738 NZ LYS B 49 -7.828 10.318 0.041 1.00 0.00 N ATOM 0 H LYS B 49 -9.747 16.705 -1.843 1.00 0.00 H new ATOM 0 HA LYS B 49 -9.448 14.030 -3.089 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -8.901 14.585 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -10.080 13.317 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -7.455 13.345 -2.041 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -7.529 12.661 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -9.601 11.800 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -7.988 11.122 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.830 11.020 -0.129 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.446 9.672 -1.181 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.740 9.293 0.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -6.990 10.666 -0.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -7.900 10.799 0.960 1.00 0.00 H new ATOM 752 N PRO B 50 -11.914 15.306 -1.220 1.00 0.00 N ATOM 753 CA PRO B 50 -13.379 15.431 -1.180 1.00 0.00 C ATOM 754 C PRO B 50 -13.934 15.777 -2.569 1.00 0.00 C ATOM 755 O PRO B 50 -14.798 15.101 -3.091 1.00 0.00 O ATOM 756 CB PRO B 50 -13.640 16.558 -0.166 1.00 0.00 C ATOM 757 CG PRO B 50 -12.341 16.729 0.658 1.00 0.00 C ATOM 758 CD PRO B 50 -11.234 15.920 -0.056 1.00 0.00 C ATOM 0 HA PRO B 50 -13.873 14.504 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -13.898 17.485 -0.677 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -14.479 16.307 0.483 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -12.065 17.781 0.726 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -12.482 16.370 1.677 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -10.413 16.564 -0.371 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -10.810 15.161 0.602 1.00 0.00 H new ATOM 766 N THR B 51 -13.440 16.826 -3.164 1.00 0.00 N ATOM 767 CA THR B 51 -13.927 17.226 -4.513 1.00 0.00 C ATOM 768 C THR B 51 -15.458 17.186 -4.544 1.00 0.00 C ATOM 769 O THR B 51 -15.997 16.575 -5.452 1.00 0.00 O ATOM 770 CB THR B 51 -13.360 16.260 -5.561 1.00 0.00 C ATOM 771 OG1 THR B 51 -12.010 15.957 -5.238 1.00 0.00 O ATOM 772 CG2 THR B 51 -13.420 16.907 -6.944 1.00 0.00 C ATOM 773 OXT THR B 51 -16.064 17.768 -3.659 1.00 0.00 O ATOM 0 H THR B 51 -12.715 17.427 -2.771 1.00 0.00 H new ATOM 0 HA THR B 51 -13.595 18.240 -4.735 1.00 0.00 H new ATOM 0 HB THR B 51 -13.950 15.344 -5.567 1.00 0.00 H new ATOM 0 HG1 THR B 51 -11.986 15.235 -4.576 1.00 0.00 H new ATOM 0 HG21 THR B 51 -13.016 16.218 -7.686 1.00 0.00 H new ATOM 0 HG22 THR B 51 -14.455 17.141 -7.192 1.00 0.00 H new ATOM 0 HG23 THR B 51 -12.831 17.824 -6.942 1.00 0.00 H new TER 781 THR B 51