USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.032 (180deg=-0.61) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 68:sc= 1.06 USER MOD Single : A 9 THR OG1 : rot -21:sc= 1 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00744 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 71:sc= 1.19 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.356 K(o=-0.36,f=-4.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0711 X(o=-0.071,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.27) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 143:sc= 0.148 USER MOD Single : A 60 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 100:sc= 0.689 USER MOD Single : A 66 THR OG1 : rot 58:sc= 1.32 USER MOD Single : A 68 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 1 2.955 5.961 -2.191 1.00 30.24 N ATOM 9 CA MET A 1 2.484 5.050 -3.228 1.00 12.42 C ATOM 10 C MET A 1 3.606 4.709 -4.202 1.00 65.14 C ATOM 11 O MET A 1 4.379 5.579 -4.601 1.00 45.43 O ATOM 12 CB MET A 1 1.307 5.670 -3.984 1.00 60.01 C ATOM 13 CG MET A 1 0.224 6.225 -3.073 1.00 40.23 C ATOM 14 SD MET A 1 -1.436 5.780 -3.618 1.00 15.54 S ATOM 15 CE MET A 1 -2.425 6.922 -2.655 1.00 54.42 C ATOM 0 H1 MET A 1 2.420 5.796 -1.315 1.00 30.24 H new ATOM 0 H2 MET A 1 3.966 5.794 -2.016 1.00 30.24 H new ATOM 0 H3 MET A 1 2.815 6.943 -2.502 1.00 30.24 H new ATOM 0 HA MET A 1 2.153 4.130 -2.746 1.00 12.42 H new ATOM 0 HB2 MET A 1 1.678 6.471 -4.624 1.00 60.01 H new ATOM 0 HB3 MET A 1 0.869 4.917 -4.639 1.00 60.01 H new ATOM 0 HG2 MET A 1 0.381 5.854 -2.060 1.00 40.23 H new ATOM 0 HG3 MET A 1 0.310 7.311 -3.032 1.00 40.23 H new ATOM 0 HE1 MET A 1 -3.480 6.770 -2.882 1.00 54.42 H new ATOM 0 HE2 MET A 1 -2.253 6.746 -1.593 1.00 54.42 H new ATOM 0 HE3 MET A 1 -2.144 7.945 -2.904 1.00 54.42 H new ATOM 25 N GLN A 2 3.689 3.437 -4.581 1.00 4.44 N ATOM 26 CA GLN A 2 4.719 2.982 -5.508 1.00 12.34 C ATOM 27 C GLN A 2 4.192 2.962 -6.939 1.00 21.23 C ATOM 28 O GLN A 2 3.191 2.308 -7.232 1.00 61.45 O ATOM 29 CB GLN A 2 5.211 1.589 -5.112 1.00 74.25 C ATOM 30 CG GLN A 2 6.553 1.222 -5.724 1.00 22.54 C ATOM 31 CD GLN A 2 6.973 -0.199 -5.400 1.00 53.12 C ATOM 32 OE1 GLN A 2 7.260 -0.527 -4.249 1.00 4.43 O ATOM 33 NE2 GLN A 2 7.009 -1.052 -6.417 1.00 45.34 N ATOM 0 H GLN A 2 3.056 2.704 -4.261 1.00 4.44 H new ATOM 0 HA GLN A 2 5.553 3.681 -5.458 1.00 12.34 H new ATOM 0 HB2 GLN A 2 5.289 1.535 -4.026 1.00 74.25 H new ATOM 0 HB3 GLN A 2 4.469 0.851 -5.415 1.00 74.25 H new ATOM 0 HG2 GLN A 2 6.500 1.344 -6.806 1.00 22.54 H new ATOM 0 HG3 GLN A 2 7.314 1.913 -5.362 1.00 22.54 H new ATOM 0 HE21 GLN A 2 6.763 -0.737 -7.356 1.00 45.34 H new ATOM 0 HE22 GLN A 2 7.283 -2.022 -6.260 1.00 45.34 H new ATOM 42 N ILE A 3 4.872 3.682 -7.824 1.00 61.15 N ATOM 43 CA ILE A 3 4.472 3.745 -9.225 1.00 4.52 C ATOM 44 C ILE A 3 5.604 3.291 -10.141 1.00 34.54 C ATOM 45 O ILE A 3 6.779 3.381 -9.785 1.00 50.14 O ATOM 46 CB ILE A 3 4.045 5.170 -9.624 1.00 42.31 C ATOM 47 CG1 ILE A 3 3.279 5.836 -8.479 1.00 50.23 C ATOM 48 CG2 ILE A 3 3.197 5.135 -10.886 1.00 72.44 C ATOM 49 CD1 ILE A 3 1.987 5.133 -8.128 1.00 32.15 C ATOM 0 H ILE A 3 5.702 4.230 -7.597 1.00 61.15 H new ATOM 0 HA ILE A 3 3.622 3.073 -9.341 1.00 4.52 H new ATOM 0 HB ILE A 3 4.940 5.758 -9.827 1.00 42.31 H new ATOM 0 HG12 ILE A 3 3.917 5.868 -7.596 1.00 50.23 H new ATOM 0 HG13 ILE A 3 3.059 6.868 -8.751 1.00 50.23 H new ATOM 0 HG21 ILE A 3 2.903 6.150 -11.155 1.00 72.44 H new ATOM 0 HG22 ILE A 3 3.774 4.696 -11.700 1.00 72.44 H new ATOM 0 HG23 ILE A 3 2.305 4.534 -10.709 1.00 72.44 H new ATOM 0 HD11 ILE A 3 1.497 5.659 -7.309 1.00 32.15 H new ATOM 0 HD12 ILE A 3 1.330 5.124 -8.998 1.00 32.15 H new ATOM 0 HD13 ILE A 3 2.201 4.108 -7.824 1.00 32.15 H new ATOM 61 N PHE A 4 5.241 2.802 -11.322 1.00 51.41 N ATOM 62 CA PHE A 4 6.225 2.334 -12.291 1.00 23.14 C ATOM 63 C PHE A 4 6.147 3.144 -13.581 1.00 52.12 C ATOM 64 O PHE A 4 5.065 3.545 -14.011 1.00 42.11 O ATOM 65 CB PHE A 4 6.008 0.850 -12.593 1.00 24.31 C ATOM 66 CG PHE A 4 5.619 0.579 -14.018 1.00 31.10 C ATOM 67 CD1 PHE A 4 6.587 0.416 -14.996 1.00 21.04 C ATOM 68 CD2 PHE A 4 4.285 0.487 -14.380 1.00 34.32 C ATOM 69 CE1 PHE A 4 6.231 0.167 -16.308 1.00 2.52 C ATOM 70 CE2 PHE A 4 3.923 0.238 -15.690 1.00 73.14 C ATOM 71 CZ PHE A 4 4.898 0.077 -16.655 1.00 55.14 C ATOM 0 H PHE A 4 4.272 2.719 -11.631 1.00 51.41 H new ATOM 0 HA PHE A 4 7.216 2.469 -11.858 1.00 23.14 H new ATOM 0 HB2 PHE A 4 6.923 0.303 -12.364 1.00 24.31 H new ATOM 0 HB3 PHE A 4 5.232 0.463 -11.933 1.00 24.31 H new ATOM 0 HD1 PHE A 4 7.631 0.484 -14.730 1.00 21.04 H new ATOM 0 HD2 PHE A 4 3.519 0.611 -13.629 1.00 34.32 H new ATOM 0 HE1 PHE A 4 6.995 0.043 -17.061 1.00 2.52 H new ATOM 0 HE2 PHE A 4 2.879 0.169 -15.959 1.00 73.14 H new ATOM 0 HZ PHE A 4 4.618 -0.119 -17.679 1.00 55.14 H new ATOM 81 N VAL A 5 7.302 3.382 -14.195 1.00 32.12 N ATOM 82 CA VAL A 5 7.365 4.144 -15.436 1.00 63.33 C ATOM 83 C VAL A 5 7.906 3.290 -16.578 1.00 5.22 C ATOM 84 O VAL A 5 8.949 2.649 -16.448 1.00 63.40 O ATOM 85 CB VAL A 5 8.249 5.395 -15.282 1.00 44.51 C ATOM 86 CG1 VAL A 5 7.506 6.484 -14.523 1.00 3.01 C ATOM 87 CG2 VAL A 5 9.554 5.043 -14.584 1.00 63.12 C ATOM 0 H VAL A 5 8.207 3.058 -13.853 1.00 32.12 H new ATOM 0 HA VAL A 5 6.347 4.455 -15.669 1.00 63.33 H new ATOM 0 HB VAL A 5 8.486 5.775 -16.276 1.00 44.51 H new ATOM 0 HG11 VAL A 5 8.147 7.360 -14.424 1.00 3.01 H new ATOM 0 HG12 VAL A 5 6.602 6.755 -15.068 1.00 3.01 H new ATOM 0 HG13 VAL A 5 7.236 6.118 -13.532 1.00 3.01 H new ATOM 0 HG21 VAL A 5 10.166 5.939 -14.484 1.00 63.12 H new ATOM 0 HG22 VAL A 5 9.340 4.637 -13.595 1.00 63.12 H new ATOM 0 HG23 VAL A 5 10.092 4.300 -15.172 1.00 63.12 H new ATOM 97 N LYS A 6 7.191 3.287 -17.697 1.00 40.14 N ATOM 98 CA LYS A 6 7.599 2.514 -18.865 1.00 1.25 C ATOM 99 C LYS A 6 8.216 3.418 -19.927 1.00 23.00 C ATOM 100 O LYS A 6 7.826 4.577 -20.075 1.00 24.23 O ATOM 101 CB LYS A 6 6.400 1.766 -19.451 1.00 31.53 C ATOM 102 CG LYS A 6 6.675 1.147 -20.810 1.00 74.05 C ATOM 103 CD LYS A 6 5.867 -0.123 -21.019 1.00 22.34 C ATOM 104 CE LYS A 6 5.303 -0.201 -22.429 1.00 43.51 C ATOM 105 NZ LYS A 6 3.931 -0.779 -22.447 1.00 1.21 N ATOM 0 H LYS A 6 6.325 3.812 -17.821 1.00 40.14 H new ATOM 0 HA LYS A 6 8.350 1.791 -18.547 1.00 1.25 H new ATOM 0 HB2 LYS A 6 6.098 0.981 -18.758 1.00 31.53 H new ATOM 0 HB3 LYS A 6 5.560 2.455 -19.538 1.00 31.53 H new ATOM 0 HG2 LYS A 6 6.434 1.866 -21.593 1.00 74.05 H new ATOM 0 HG3 LYS A 6 7.738 0.922 -20.900 1.00 74.05 H new ATOM 0 HD2 LYS A 6 6.498 -0.992 -20.830 1.00 22.34 H new ATOM 0 HD3 LYS A 6 5.051 -0.159 -20.297 1.00 22.34 H new ATOM 0 HE2 LYS A 6 5.282 0.797 -22.867 1.00 43.51 H new ATOM 0 HE3 LYS A 6 5.961 -0.809 -23.050 1.00 43.51 H new ATOM 0 HZ1 LYS A 6 3.582 -0.815 -23.426 1.00 1.21 H new ATOM 0 HZ2 LYS A 6 3.954 -1.741 -22.052 1.00 1.21 H new ATOM 0 HZ3 LYS A 6 3.297 -0.185 -21.875 1.00 1.21 H new ATOM 119 N THR A 7 9.181 2.881 -20.667 1.00 25.42 N ATOM 120 CA THR A 7 9.852 3.638 -21.716 1.00 2.23 C ATOM 121 C THR A 7 9.239 3.348 -23.081 1.00 1.41 C ATOM 122 O THR A 7 8.387 2.469 -23.216 1.00 42.14 O ATOM 123 CB THR A 7 11.358 3.319 -21.764 1.00 3.14 C ATOM 124 OG1 THR A 7 11.761 2.671 -20.552 1.00 34.12 O ATOM 125 CG2 THR A 7 12.174 4.588 -21.961 1.00 63.31 C ATOM 0 H THR A 7 9.515 1.923 -20.559 1.00 25.42 H new ATOM 0 HA THR A 7 9.719 4.693 -21.478 1.00 2.23 H new ATOM 0 HB THR A 7 11.539 2.654 -22.609 1.00 3.14 H new ATOM 0 HG1 THR A 7 11.359 1.778 -20.509 1.00 34.12 H new ATOM 0 HG21 THR A 7 13.234 4.338 -21.992 1.00 63.31 H new ATOM 0 HG22 THR A 7 11.886 5.064 -22.898 1.00 63.31 H new ATOM 0 HG23 THR A 7 11.987 5.273 -21.134 1.00 63.31 H new ATOM 133 N LEU A 8 9.678 4.092 -24.091 1.00 35.22 N ATOM 134 CA LEU A 8 9.172 3.914 -25.448 1.00 30.14 C ATOM 135 C LEU A 8 10.004 2.887 -26.208 1.00 61.54 C ATOM 136 O LEU A 8 9.863 2.732 -27.422 1.00 74.00 O ATOM 137 CB LEU A 8 9.180 5.248 -26.195 1.00 44.42 C ATOM 138 CG LEU A 8 8.197 5.371 -27.360 1.00 45.50 C ATOM 139 CD1 LEU A 8 6.779 5.555 -26.844 1.00 73.11 C ATOM 140 CD2 LEU A 8 8.590 6.527 -28.269 1.00 71.02 C ATOM 0 H LEU A 8 10.383 4.823 -23.996 1.00 35.22 H new ATOM 0 HA LEU A 8 8.147 3.548 -25.383 1.00 30.14 H new ATOM 0 HB2 LEU A 8 8.967 6.043 -25.480 1.00 44.42 H new ATOM 0 HB3 LEU A 8 10.187 5.423 -26.575 1.00 44.42 H new ATOM 0 HG LEU A 8 8.234 4.449 -27.941 1.00 45.50 H new ATOM 0 HD11 LEU A 8 6.093 5.641 -27.687 1.00 73.11 H new ATOM 0 HD12 LEU A 8 6.499 4.696 -26.235 1.00 73.11 H new ATOM 0 HD13 LEU A 8 6.726 6.461 -26.240 1.00 73.11 H new ATOM 0 HD21 LEU A 8 7.880 6.600 -29.093 1.00 71.02 H new ATOM 0 HD22 LEU A 8 8.582 7.456 -27.700 1.00 71.02 H new ATOM 0 HD23 LEU A 8 9.590 6.354 -28.667 1.00 71.02 H new ATOM 152 N THR A 9 10.872 2.184 -25.487 1.00 33.42 N ATOM 153 CA THR A 9 11.726 1.170 -26.093 1.00 11.21 C ATOM 154 C THR A 9 11.410 -0.216 -25.542 1.00 45.30 C ATOM 155 O THR A 9 12.107 -1.186 -25.839 1.00 13.43 O ATOM 156 CB THR A 9 13.217 1.477 -25.856 1.00 54.21 C ATOM 157 OG1 THR A 9 14.027 0.453 -26.444 1.00 0.24 O ATOM 158 CG2 THR A 9 13.519 1.579 -24.369 1.00 14.04 C ATOM 0 H THR A 9 11.002 2.299 -24.482 1.00 33.42 H new ATOM 0 HA THR A 9 11.525 1.186 -27.164 1.00 11.21 H new ATOM 0 HB THR A 9 13.447 2.435 -26.323 1.00 54.21 H new ATOM 0 HG1 THR A 9 13.493 -0.360 -26.560 1.00 0.24 H new ATOM 0 HG21 THR A 9 14.578 1.796 -24.227 1.00 14.04 H new ATOM 0 HG22 THR A 9 12.922 2.379 -23.931 1.00 14.04 H new ATOM 0 HG23 THR A 9 13.274 0.635 -23.882 1.00 14.04 H new ATOM 166 N GLY A 10 10.355 -0.302 -24.738 1.00 31.00 N ATOM 167 CA GLY A 10 9.966 -1.574 -24.159 1.00 34.42 C ATOM 168 C GLY A 10 10.638 -1.835 -22.825 1.00 51.54 C ATOM 169 O GLY A 10 10.547 -2.934 -22.279 1.00 72.23 O ATOM 0 H GLY A 10 9.763 0.487 -24.477 1.00 31.00 H new ATOM 0 HA2 GLY A 10 8.884 -1.594 -24.027 1.00 34.42 H new ATOM 0 HA3 GLY A 10 10.217 -2.377 -24.852 1.00 34.42 H new ATOM 173 N LYS A 11 11.317 -0.821 -22.299 1.00 50.24 N ATOM 174 CA LYS A 11 12.009 -0.944 -21.022 1.00 15.34 C ATOM 175 C LYS A 11 11.089 -0.561 -19.866 1.00 70.33 C ATOM 176 O LYS A 11 10.480 0.509 -19.871 1.00 43.31 O ATOM 177 CB LYS A 11 13.258 -0.060 -21.007 1.00 54.43 C ATOM 178 CG LYS A 11 14.525 -0.790 -21.417 1.00 33.43 C ATOM 179 CD LYS A 11 15.768 -0.079 -20.908 1.00 35.51 C ATOM 180 CE LYS A 11 16.909 -1.056 -20.667 1.00 51.34 C ATOM 181 NZ LYS A 11 18.235 -0.436 -20.940 1.00 23.14 N ATOM 0 H LYS A 11 11.403 0.096 -22.738 1.00 50.24 H new ATOM 0 HA LYS A 11 12.307 -1.985 -20.898 1.00 15.34 H new ATOM 0 HB2 LYS A 11 13.103 0.785 -21.677 1.00 54.43 H new ATOM 0 HB3 LYS A 11 13.392 0.348 -20.005 1.00 54.43 H new ATOM 0 HG2 LYS A 11 14.502 -1.808 -21.028 1.00 33.43 H new ATOM 0 HG3 LYS A 11 14.567 -0.865 -22.504 1.00 33.43 H new ATOM 0 HD2 LYS A 11 16.079 0.675 -21.631 1.00 35.51 H new ATOM 0 HD3 LYS A 11 15.535 0.446 -19.981 1.00 35.51 H new ATOM 0 HE2 LYS A 11 16.877 -1.405 -19.635 1.00 51.34 H new ATOM 0 HE3 LYS A 11 16.779 -1.931 -21.304 1.00 51.34 H new ATOM 0 HZ1 LYS A 11 18.987 -1.133 -20.764 1.00 23.14 H new ATOM 0 HZ2 LYS A 11 18.275 -0.125 -21.932 1.00 23.14 H new ATOM 0 HZ3 LYS A 11 18.370 0.384 -20.315 1.00 23.14 H new ATOM 195 N THR A 12 10.993 -1.443 -18.875 1.00 50.54 N ATOM 196 CA THR A 12 10.148 -1.197 -17.713 1.00 63.14 C ATOM 197 C THR A 12 10.986 -0.846 -16.489 1.00 71.21 C ATOM 198 O THR A 12 11.825 -1.635 -16.053 1.00 42.41 O ATOM 199 CB THR A 12 9.271 -2.421 -17.388 1.00 3.12 C ATOM 200 OG1 THR A 12 9.943 -3.623 -17.780 1.00 71.22 O ATOM 201 CG2 THR A 12 7.929 -2.329 -18.098 1.00 20.03 C ATOM 0 H THR A 12 11.490 -2.334 -18.854 1.00 50.54 H new ATOM 0 HA THR A 12 9.504 -0.354 -17.962 1.00 63.14 H new ATOM 0 HB THR A 12 9.094 -2.439 -16.313 1.00 3.12 H new ATOM 0 HG1 THR A 12 9.380 -4.397 -17.568 1.00 71.22 H new ATOM 0 HG21 THR A 12 7.327 -3.204 -17.853 1.00 20.03 H new ATOM 0 HG22 THR A 12 7.407 -1.428 -17.775 1.00 20.03 H new ATOM 0 HG23 THR A 12 8.089 -2.289 -19.175 1.00 20.03 H new ATOM 209 N ILE A 13 10.752 0.340 -15.938 1.00 42.35 N ATOM 210 CA ILE A 13 11.485 0.794 -14.763 1.00 32.11 C ATOM 211 C ILE A 13 10.536 1.106 -13.611 1.00 2.34 C ATOM 212 O ILE A 13 9.425 1.595 -13.820 1.00 63.25 O ATOM 213 CB ILE A 13 12.327 2.045 -15.073 1.00 4.31 C ATOM 214 CG1 ILE A 13 13.128 1.842 -16.361 1.00 74.21 C ATOM 215 CG2 ILE A 13 13.257 2.360 -13.910 1.00 34.41 C ATOM 216 CD1 ILE A 13 13.931 3.056 -16.771 1.00 63.24 C ATOM 0 H ILE A 13 10.061 1.004 -16.286 1.00 42.35 H new ATOM 0 HA ILE A 13 12.151 -0.019 -14.473 1.00 32.11 H new ATOM 0 HB ILE A 13 11.654 2.891 -15.215 1.00 4.31 H new ATOM 0 HG12 ILE A 13 13.804 0.997 -16.230 1.00 74.21 H new ATOM 0 HG13 ILE A 13 12.443 1.580 -17.168 1.00 74.21 H new ATOM 0 HG21 ILE A 13 13.845 3.247 -14.145 1.00 34.41 H new ATOM 0 HG22 ILE A 13 12.667 2.543 -13.012 1.00 34.41 H new ATOM 0 HG23 ILE A 13 13.925 1.516 -13.740 1.00 34.41 H new ATOM 0 HD11 ILE A 13 14.473 2.840 -17.692 1.00 63.24 H new ATOM 0 HD12 ILE A 13 13.259 3.898 -16.935 1.00 63.24 H new ATOM 0 HD13 ILE A 13 14.641 3.306 -15.982 1.00 63.24 H new ATOM 228 N THR A 14 10.982 0.823 -12.391 1.00 20.34 N ATOM 229 CA THR A 14 10.174 1.074 -11.204 1.00 72.50 C ATOM 230 C THR A 14 10.809 2.142 -10.322 1.00 51.41 C ATOM 231 O THR A 14 12.027 2.170 -10.141 1.00 61.45 O ATOM 232 CB THR A 14 9.979 -0.210 -10.375 1.00 72.35 C ATOM 233 OG1 THR A 14 9.979 -1.354 -11.237 1.00 22.11 O ATOM 234 CG2 THR A 14 8.674 -0.158 -9.595 1.00 3.53 C ATOM 0 H THR A 14 11.899 0.420 -12.199 1.00 20.34 H new ATOM 0 HA THR A 14 9.202 1.425 -11.552 1.00 72.50 H new ATOM 0 HB THR A 14 10.804 -0.288 -9.667 1.00 72.35 H new ATOM 0 HG1 THR A 14 9.856 -2.166 -10.703 1.00 22.11 H new ATOM 0 HG21 THR A 14 8.558 -1.075 -9.018 1.00 3.53 H new ATOM 0 HG22 THR A 14 8.688 0.697 -8.919 1.00 3.53 H new ATOM 0 HG23 THR A 14 7.839 -0.058 -10.289 1.00 3.53 H new ATOM 242 N LEU A 15 9.977 3.021 -9.774 1.00 42.41 N ATOM 243 CA LEU A 15 10.458 4.093 -8.909 1.00 51.43 C ATOM 244 C LEU A 15 9.512 4.309 -7.732 1.00 22.30 C ATOM 245 O LEU A 15 8.405 3.773 -7.708 1.00 31.44 O ATOM 246 CB LEU A 15 10.603 5.391 -9.706 1.00 0.45 C ATOM 247 CG LEU A 15 11.804 6.268 -9.347 1.00 72.24 C ATOM 248 CD1 LEU A 15 12.888 6.146 -10.407 1.00 2.23 C ATOM 249 CD2 LEU A 15 11.375 7.719 -9.184 1.00 63.23 C ATOM 0 H LEU A 15 8.967 3.013 -9.913 1.00 42.41 H new ATOM 0 HA LEU A 15 11.433 3.802 -8.519 1.00 51.43 H new ATOM 0 HB2 LEU A 15 10.666 5.139 -10.765 1.00 0.45 H new ATOM 0 HB3 LEU A 15 9.695 5.980 -9.572 1.00 0.45 H new ATOM 0 HG LEU A 15 12.212 5.922 -8.397 1.00 72.24 H new ATOM 0 HD11 LEU A 15 13.735 6.776 -10.136 1.00 2.23 H new ATOM 0 HD12 LEU A 15 13.215 5.108 -10.475 1.00 2.23 H new ATOM 0 HD13 LEU A 15 12.492 6.466 -11.371 1.00 2.23 H new ATOM 0 HD21 LEU A 15 12.242 8.328 -8.929 1.00 63.23 H new ATOM 0 HD22 LEU A 15 10.942 8.077 -10.118 1.00 63.23 H new ATOM 0 HD23 LEU A 15 10.633 7.792 -8.389 1.00 63.23 H new ATOM 261 N GLU A 16 9.957 5.098 -6.759 1.00 54.42 N ATOM 262 CA GLU A 16 9.148 5.385 -5.580 1.00 4.31 C ATOM 263 C GLU A 16 8.980 6.890 -5.388 1.00 62.25 C ATOM 264 O GLU A 16 9.939 7.653 -5.506 1.00 21.05 O ATOM 265 CB GLU A 16 9.788 4.770 -4.334 1.00 24.13 C ATOM 266 CG GLU A 16 10.103 3.291 -4.479 1.00 23.54 C ATOM 267 CD GLU A 16 11.570 3.031 -4.762 1.00 41.45 C ATOM 268 OE1 GLU A 16 12.141 3.735 -5.622 1.00 74.04 O ATOM 269 OE2 GLU A 16 12.147 2.126 -4.126 1.00 23.43 O ATOM 0 H GLU A 16 10.872 5.549 -6.764 1.00 54.42 H new ATOM 0 HA GLU A 16 8.163 4.943 -5.730 1.00 4.31 H new ATOM 0 HB2 GLU A 16 10.708 5.308 -4.105 1.00 24.13 H new ATOM 0 HB3 GLU A 16 9.118 4.909 -3.486 1.00 24.13 H new ATOM 0 HG2 GLU A 16 9.816 2.771 -3.565 1.00 23.54 H new ATOM 0 HG3 GLU A 16 9.502 2.873 -5.286 1.00 23.54 H new ATOM 276 N VAL A 17 7.754 7.309 -5.094 1.00 13.51 N ATOM 277 CA VAL A 17 7.458 8.722 -4.886 1.00 5.04 C ATOM 278 C VAL A 17 6.274 8.903 -3.943 1.00 71.30 C ATOM 279 O VAL A 17 5.707 7.928 -3.449 1.00 43.35 O ATOM 280 CB VAL A 17 7.154 9.434 -6.217 1.00 43.10 C ATOM 281 CG1 VAL A 17 8.356 10.245 -6.676 1.00 4.54 C ATOM 282 CG2 VAL A 17 6.745 8.425 -7.279 1.00 63.12 C ATOM 0 H VAL A 17 6.949 6.690 -4.994 1.00 13.51 H new ATOM 0 HA VAL A 17 8.346 9.168 -4.439 1.00 5.04 H new ATOM 0 HB VAL A 17 6.322 10.120 -6.060 1.00 43.10 H new ATOM 0 HG11 VAL A 17 8.122 10.741 -7.618 1.00 4.54 H new ATOM 0 HG12 VAL A 17 8.599 10.994 -5.922 1.00 4.54 H new ATOM 0 HG13 VAL A 17 9.210 9.582 -6.817 1.00 4.54 H new ATOM 0 HG21 VAL A 17 6.534 8.945 -8.213 1.00 63.12 H new ATOM 0 HG22 VAL A 17 7.555 7.713 -7.435 1.00 63.12 H new ATOM 0 HG23 VAL A 17 5.852 7.893 -6.950 1.00 63.12 H new ATOM 292 N GLU A 18 5.905 10.156 -3.698 1.00 41.23 N ATOM 293 CA GLU A 18 4.787 10.464 -2.814 1.00 5.12 C ATOM 294 C GLU A 18 3.730 11.291 -3.540 1.00 62.54 C ATOM 295 O GLU A 18 3.979 11.874 -4.596 1.00 22.04 O ATOM 296 CB GLU A 18 5.280 11.219 -1.577 1.00 52.14 C ATOM 297 CG GLU A 18 5.545 10.321 -0.381 1.00 65.42 C ATOM 298 CD GLU A 18 5.577 11.086 0.928 1.00 60.34 C ATOM 299 OE1 GLU A 18 5.074 12.228 0.960 1.00 41.10 O ATOM 300 OE2 GLU A 18 6.105 10.541 1.920 1.00 71.12 O ATOM 0 H GLU A 18 6.364 10.974 -4.099 1.00 41.23 H new ATOM 0 HA GLU A 18 4.335 9.523 -2.501 1.00 5.12 H new ATOM 0 HB2 GLU A 18 6.196 11.754 -1.829 1.00 52.14 H new ATOM 0 HB3 GLU A 18 4.539 11.969 -1.300 1.00 52.14 H new ATOM 0 HG2 GLU A 18 4.773 9.553 -0.330 1.00 65.42 H new ATOM 0 HG3 GLU A 18 6.496 9.808 -0.521 1.00 65.42 H new ATOM 307 N PRO A 19 2.520 11.342 -2.963 1.00 65.15 N ATOM 308 CA PRO A 19 1.401 12.093 -3.538 1.00 54.21 C ATOM 309 C PRO A 19 1.612 13.601 -3.457 1.00 13.25 C ATOM 310 O PRO A 19 1.123 14.353 -4.300 1.00 71.52 O ATOM 311 CB PRO A 19 0.210 11.672 -2.673 1.00 50.41 C ATOM 312 CG PRO A 19 0.812 11.264 -1.373 1.00 11.42 C ATOM 313 CD PRO A 19 2.153 10.671 -1.705 1.00 72.34 C ATOM 0 HA PRO A 19 1.271 11.881 -4.599 1.00 54.21 H new ATOM 0 HB2 PRO A 19 -0.495 12.493 -2.543 1.00 50.41 H new ATOM 0 HB3 PRO A 19 -0.340 10.850 -3.130 1.00 50.41 H new ATOM 0 HG2 PRO A 19 0.918 12.120 -0.707 1.00 11.42 H new ATOM 0 HG3 PRO A 19 0.180 10.538 -0.861 1.00 11.42 H new ATOM 0 HD2 PRO A 19 2.883 10.863 -0.919 1.00 72.34 H new ATOM 0 HD3 PRO A 19 2.095 9.590 -1.828 1.00 72.34 H new ATOM 321 N SER A 20 2.343 14.037 -2.436 1.00 10.41 N ATOM 322 CA SER A 20 2.616 15.457 -2.243 1.00 31.35 C ATOM 323 C SER A 20 3.854 15.884 -3.026 1.00 33.54 C ATOM 324 O SER A 20 4.274 17.039 -2.962 1.00 60.03 O ATOM 325 CB SER A 20 2.808 15.763 -0.756 1.00 22.10 C ATOM 326 OG SER A 20 4.117 15.424 -0.331 1.00 11.13 O ATOM 0 H SER A 20 2.757 13.428 -1.730 1.00 10.41 H new ATOM 0 HA SER A 20 1.760 16.020 -2.615 1.00 31.35 H new ATOM 0 HB2 SER A 20 2.625 16.822 -0.573 1.00 22.10 H new ATOM 0 HB3 SER A 20 2.076 15.207 -0.170 1.00 22.10 H new ATOM 0 HG SER A 20 4.215 15.630 0.622 1.00 11.13 H new ATOM 332 N ASP A 21 4.433 14.943 -3.763 1.00 73.42 N ATOM 333 CA ASP A 21 5.622 15.220 -4.560 1.00 70.24 C ATOM 334 C ASP A 21 5.240 15.666 -5.968 1.00 65.35 C ATOM 335 O ASP A 21 4.375 15.068 -6.608 1.00 73.42 O ATOM 336 CB ASP A 21 6.516 13.981 -4.629 1.00 62.10 C ATOM 337 CG ASP A 21 7.548 13.949 -3.519 1.00 11.24 C ATOM 338 OD1 ASP A 21 7.981 15.035 -3.081 1.00 2.32 O ATOM 339 OD2 ASP A 21 7.923 12.838 -3.088 1.00 13.31 O ATOM 0 H ASP A 21 4.098 13.981 -3.825 1.00 73.42 H new ATOM 0 HA ASP A 21 6.172 16.029 -4.079 1.00 70.24 H new ATOM 0 HB2 ASP A 21 5.897 13.086 -4.571 1.00 62.10 H new ATOM 0 HB3 ASP A 21 7.023 13.956 -5.593 1.00 62.10 H new ATOM 344 N THR A 22 5.892 16.722 -6.446 1.00 72.34 N ATOM 345 CA THR A 22 5.620 17.249 -7.777 1.00 52.44 C ATOM 346 C THR A 22 6.734 16.885 -8.752 1.00 3.05 C ATOM 347 O THR A 22 7.892 16.741 -8.359 1.00 4.44 O ATOM 348 CB THR A 22 5.456 18.781 -7.752 1.00 21.22 C ATOM 349 OG1 THR A 22 5.476 19.298 -9.087 1.00 31.10 O ATOM 350 CG2 THR A 22 6.563 19.430 -6.935 1.00 31.23 C ATOM 0 H THR A 22 6.612 17.229 -5.931 1.00 72.34 H new ATOM 0 HA THR A 22 4.687 16.796 -8.111 1.00 52.44 H new ATOM 0 HB THR A 22 4.498 19.014 -7.287 1.00 21.22 H new ATOM 0 HG1 THR A 22 4.653 19.037 -9.551 1.00 31.10 H new ATOM 0 HG21 THR A 22 6.426 20.511 -6.932 1.00 31.23 H new ATOM 0 HG22 THR A 22 6.527 19.056 -5.912 1.00 31.23 H new ATOM 0 HG23 THR A 22 7.530 19.188 -7.376 1.00 31.23 H new ATOM 358 N ILE A 23 6.378 16.738 -10.023 1.00 35.41 N ATOM 359 CA ILE A 23 7.349 16.392 -11.053 1.00 71.32 C ATOM 360 C ILE A 23 8.520 17.369 -11.055 1.00 75.03 C ATOM 361 O ILE A 23 9.660 16.985 -11.312 1.00 40.22 O ATOM 362 CB ILE A 23 6.705 16.377 -12.452 1.00 73.20 C ATOM 363 CG1 ILE A 23 5.794 17.593 -12.631 1.00 51.10 C ATOM 364 CG2 ILE A 23 5.924 15.088 -12.662 1.00 12.02 C ATOM 365 CD1 ILE A 23 5.390 17.839 -14.068 1.00 13.02 C ATOM 0 H ILE A 23 5.424 16.853 -10.365 1.00 35.41 H new ATOM 0 HA ILE A 23 7.714 15.392 -10.819 1.00 71.32 H new ATOM 0 HB ILE A 23 7.496 16.426 -13.200 1.00 73.20 H new ATOM 0 HG12 ILE A 23 4.896 17.456 -12.028 1.00 51.10 H new ATOM 0 HG13 ILE A 23 6.303 18.478 -12.249 1.00 51.10 H new ATOM 0 HG21 ILE A 23 5.475 15.092 -13.655 1.00 12.02 H new ATOM 0 HG22 ILE A 23 6.598 14.236 -12.572 1.00 12.02 H new ATOM 0 HG23 ILE A 23 5.139 15.011 -11.909 1.00 12.02 H new ATOM 0 HD11 ILE A 23 4.745 18.716 -14.120 1.00 13.02 H new ATOM 0 HD12 ILE A 23 6.281 18.008 -14.673 1.00 13.02 H new ATOM 0 HD13 ILE A 23 4.852 16.971 -14.449 1.00 13.02 H new ATOM 377 N GLU A 24 8.228 18.633 -10.766 1.00 4.35 N ATOM 378 CA GLU A 24 9.258 19.665 -10.733 1.00 50.53 C ATOM 379 C GLU A 24 10.331 19.331 -9.701 1.00 43.33 C ATOM 380 O GLU A 24 11.520 19.549 -9.933 1.00 55.15 O ATOM 381 CB GLU A 24 8.637 21.027 -10.416 1.00 55.34 C ATOM 382 CG GLU A 24 9.492 22.204 -10.856 1.00 74.22 C ATOM 383 CD GLU A 24 9.606 23.274 -9.788 1.00 30.44 C ATOM 384 OE1 GLU A 24 10.500 23.157 -8.924 1.00 31.13 O ATOM 385 OE2 GLU A 24 8.801 24.228 -9.816 1.00 71.01 O ATOM 0 H GLU A 24 7.288 18.967 -10.552 1.00 4.35 H new ATOM 0 HA GLU A 24 9.725 19.707 -11.717 1.00 50.53 H new ATOM 0 HB2 GLU A 24 7.663 21.095 -10.901 1.00 55.34 H new ATOM 0 HB3 GLU A 24 8.463 21.096 -9.342 1.00 55.34 H new ATOM 0 HG2 GLU A 24 10.489 21.847 -11.115 1.00 74.22 H new ATOM 0 HG3 GLU A 24 9.065 22.641 -11.759 1.00 74.22 H new ATOM 392 N ASN A 25 9.902 18.801 -8.560 1.00 42.54 N ATOM 393 CA ASN A 25 10.826 18.438 -7.492 1.00 15.14 C ATOM 394 C ASN A 25 11.436 17.063 -7.744 1.00 43.15 C ATOM 395 O ASN A 25 12.518 16.751 -7.246 1.00 34.35 O ATOM 396 CB ASN A 25 10.105 18.448 -6.142 1.00 3.13 C ATOM 397 CG ASN A 25 11.052 18.221 -4.979 1.00 44.23 C ATOM 398 OD1 ASN A 25 11.838 19.100 -4.624 1.00 21.22 O ATOM 399 ND2 ASN A 25 10.982 17.038 -4.381 1.00 71.33 N ATOM 0 H ASN A 25 8.921 18.614 -8.352 1.00 42.54 H new ATOM 0 HA ASN A 25 11.629 19.174 -7.474 1.00 15.14 H new ATOM 0 HB2 ASN A 25 9.597 19.403 -6.012 1.00 3.13 H new ATOM 0 HB3 ASN A 25 9.337 17.675 -6.138 1.00 3.13 H new ATOM 0 HD21 ASN A 25 11.595 16.828 -3.593 1.00 71.33 H new ATOM 0 HD22 ASN A 25 10.315 16.339 -4.709 1.00 71.33 H new ATOM 406 N VAL A 26 10.736 16.245 -8.524 1.00 21.34 N ATOM 407 CA VAL A 26 11.209 14.904 -8.845 1.00 24.54 C ATOM 408 C VAL A 26 12.354 14.951 -9.850 1.00 62.13 C ATOM 409 O VAL A 26 13.258 14.115 -9.820 1.00 13.04 O ATOM 410 CB VAL A 26 10.076 14.030 -9.414 1.00 61.32 C ATOM 411 CG1 VAL A 26 10.611 12.669 -9.834 1.00 55.15 C ATOM 412 CG2 VAL A 26 8.956 13.880 -8.396 1.00 10.42 C ATOM 0 H VAL A 26 9.839 16.488 -8.945 1.00 21.34 H new ATOM 0 HA VAL A 26 11.565 14.463 -7.914 1.00 24.54 H new ATOM 0 HB VAL A 26 9.670 14.523 -10.297 1.00 61.32 H new ATOM 0 HG11 VAL A 26 9.796 12.065 -10.234 1.00 55.15 H new ATOM 0 HG12 VAL A 26 11.376 12.799 -10.600 1.00 55.15 H new ATOM 0 HG13 VAL A 26 11.045 12.166 -8.970 1.00 55.15 H new ATOM 0 HG21 VAL A 26 8.164 13.259 -8.815 1.00 10.42 H new ATOM 0 HG22 VAL A 26 9.346 13.410 -7.493 1.00 10.42 H new ATOM 0 HG23 VAL A 26 8.555 14.863 -8.149 1.00 10.42 H new ATOM 422 N LYS A 27 12.311 15.935 -10.742 1.00 73.00 N ATOM 423 CA LYS A 27 13.345 16.094 -11.757 1.00 52.35 C ATOM 424 C LYS A 27 14.611 16.695 -11.155 1.00 71.11 C ATOM 425 O LYS A 27 15.720 16.412 -11.608 1.00 34.54 O ATOM 426 CB LYS A 27 12.838 16.983 -12.896 1.00 20.50 C ATOM 427 CG LYS A 27 12.649 18.435 -12.496 1.00 14.42 C ATOM 428 CD LYS A 27 12.547 19.340 -13.712 1.00 44.32 C ATOM 429 CE LYS A 27 11.246 20.128 -13.714 1.00 44.20 C ATOM 430 NZ LYS A 27 11.180 21.086 -14.852 1.00 12.50 N ATOM 0 H LYS A 27 11.570 16.635 -10.782 1.00 73.00 H new ATOM 0 HA LYS A 27 13.585 15.107 -12.153 1.00 52.35 H new ATOM 0 HB2 LYS A 27 13.542 16.932 -13.726 1.00 20.50 H new ATOM 0 HB3 LYS A 27 11.889 16.588 -13.259 1.00 20.50 H new ATOM 0 HG2 LYS A 27 11.747 18.532 -11.892 1.00 14.42 H new ATOM 0 HG3 LYS A 27 13.485 18.754 -11.873 1.00 14.42 H new ATOM 0 HD2 LYS A 27 13.391 20.030 -13.725 1.00 44.32 H new ATOM 0 HD3 LYS A 27 12.611 18.740 -14.620 1.00 44.32 H new ATOM 0 HE2 LYS A 27 10.404 19.438 -13.770 1.00 44.20 H new ATOM 0 HE3 LYS A 27 11.150 20.673 -12.775 1.00 44.20 H new ATOM 0 HZ1 LYS A 27 10.279 21.604 -14.818 1.00 12.50 H new ATOM 0 HZ2 LYS A 27 11.969 21.760 -14.785 1.00 12.50 H new ATOM 0 HZ3 LYS A 27 11.246 20.564 -15.749 1.00 12.50 H new ATOM 444 N ALA A 28 14.438 17.524 -10.131 1.00 52.43 N ATOM 445 CA ALA A 28 15.567 18.162 -9.465 1.00 72.30 C ATOM 446 C ALA A 28 16.532 17.122 -8.906 1.00 3.31 C ATOM 447 O ALA A 28 17.747 17.326 -8.903 1.00 34.51 O ATOM 448 CB ALA A 28 15.075 19.079 -8.355 1.00 43.33 C ATOM 0 H ALA A 28 13.527 17.770 -9.744 1.00 52.43 H new ATOM 0 HA ALA A 28 16.104 18.759 -10.203 1.00 72.30 H new ATOM 0 HB1 ALA A 28 15.928 19.549 -7.866 1.00 43.33 H new ATOM 0 HB2 ALA A 28 14.430 19.849 -8.778 1.00 43.33 H new ATOM 0 HB3 ALA A 28 14.513 18.497 -7.624 1.00 43.33 H new ATOM 454 N LYS A 29 15.985 16.008 -8.432 1.00 63.11 N ATOM 455 CA LYS A 29 16.798 14.935 -7.870 1.00 55.31 C ATOM 456 C LYS A 29 17.581 14.216 -8.964 1.00 11.05 C ATOM 457 O LYS A 29 18.664 13.685 -8.717 1.00 3.33 O ATOM 458 CB LYS A 29 15.913 13.937 -7.121 1.00 35.41 C ATOM 459 CG LYS A 29 16.681 12.769 -6.526 1.00 44.43 C ATOM 460 CD LYS A 29 15.748 11.756 -5.884 1.00 45.41 C ATOM 461 CE LYS A 29 16.209 10.331 -6.146 1.00 73.50 C ATOM 462 NZ LYS A 29 15.673 9.380 -5.133 1.00 30.23 N ATOM 0 H LYS A 29 14.982 15.824 -8.426 1.00 63.11 H new ATOM 0 HA LYS A 29 17.508 15.378 -7.171 1.00 55.31 H new ATOM 0 HB2 LYS A 29 15.387 14.459 -6.322 1.00 35.41 H new ATOM 0 HB3 LYS A 29 15.155 13.553 -7.804 1.00 35.41 H new ATOM 0 HG2 LYS A 29 17.266 12.282 -7.306 1.00 44.43 H new ATOM 0 HG3 LYS A 29 17.386 13.138 -5.781 1.00 44.43 H new ATOM 0 HD2 LYS A 29 15.701 11.933 -4.809 1.00 45.41 H new ATOM 0 HD3 LYS A 29 14.739 11.891 -6.274 1.00 45.41 H new ATOM 0 HE2 LYS A 29 15.887 10.022 -7.140 1.00 73.50 H new ATOM 0 HE3 LYS A 29 17.298 10.294 -6.138 1.00 73.50 H new ATOM 0 HZ1 LYS A 29 16.010 8.419 -5.346 1.00 30.23 H new ATOM 0 HZ2 LYS A 29 16.001 9.660 -4.187 1.00 30.23 H new ATOM 0 HZ3 LYS A 29 14.633 9.396 -5.158 1.00 30.23 H new ATOM 476 N ILE A 30 17.027 14.204 -10.171 1.00 61.22 N ATOM 477 CA ILE A 30 17.676 13.552 -11.302 1.00 71.10 C ATOM 478 C ILE A 30 18.947 14.290 -11.707 1.00 2.31 C ATOM 479 O ILE A 30 19.953 13.671 -12.051 1.00 70.55 O ATOM 480 CB ILE A 30 16.735 13.467 -12.519 1.00 3.14 C ATOM 481 CG1 ILE A 30 15.426 12.776 -12.132 1.00 24.35 C ATOM 482 CG2 ILE A 30 17.414 12.727 -13.662 1.00 15.41 C ATOM 483 CD1 ILE A 30 15.620 11.378 -11.586 1.00 54.11 C ATOM 0 H ILE A 30 16.131 14.638 -10.391 1.00 61.22 H new ATOM 0 HA ILE A 30 17.932 12.543 -10.980 1.00 71.10 H new ATOM 0 HB ILE A 30 16.504 14.479 -12.853 1.00 3.14 H new ATOM 0 HG12 ILE A 30 14.912 13.381 -11.385 1.00 24.35 H new ATOM 0 HG13 ILE A 30 14.777 12.729 -13.006 1.00 24.35 H new ATOM 0 HG21 ILE A 30 16.737 12.675 -14.515 1.00 15.41 H new ATOM 0 HG22 ILE A 30 18.321 13.258 -13.951 1.00 15.41 H new ATOM 0 HG23 ILE A 30 17.671 11.718 -13.340 1.00 15.41 H new ATOM 0 HD11 ILE A 30 14.651 10.949 -11.333 1.00 54.11 H new ATOM 0 HD12 ILE A 30 16.106 10.758 -12.339 1.00 54.11 H new ATOM 0 HD13 ILE A 30 16.243 11.420 -10.693 1.00 54.11 H new ATOM 495 N GLN A 31 18.894 15.618 -11.661 1.00 21.41 N ATOM 496 CA GLN A 31 20.042 16.440 -12.022 1.00 44.50 C ATOM 497 C GLN A 31 21.174 16.269 -11.014 1.00 32.22 C ATOM 498 O GLN A 31 22.348 16.419 -11.352 1.00 51.11 O ATOM 499 CB GLN A 31 19.636 17.913 -12.104 1.00 73.24 C ATOM 500 CG GLN A 31 19.866 18.532 -13.474 1.00 33.24 C ATOM 501 CD GLN A 31 20.878 19.660 -13.441 1.00 70.15 C ATOM 502 OE1 GLN A 31 22.070 19.447 -13.666 1.00 73.44 O ATOM 503 NE2 GLN A 31 20.408 20.870 -13.161 1.00 71.30 N ATOM 0 H GLN A 31 18.069 16.146 -11.377 1.00 21.41 H new ATOM 0 HA GLN A 31 20.397 16.113 -12.999 1.00 44.50 H new ATOM 0 HB2 GLN A 31 18.581 18.006 -11.845 1.00 73.24 H new ATOM 0 HB3 GLN A 31 20.198 18.478 -11.360 1.00 73.24 H new ATOM 0 HG2 GLN A 31 20.209 17.761 -14.164 1.00 33.24 H new ATOM 0 HG3 GLN A 31 18.920 18.909 -13.862 1.00 33.24 H new ATOM 0 HE21 GLN A 31 19.413 21.001 -12.981 1.00 71.30 H new ATOM 0 HE22 GLN A 31 21.042 21.668 -13.126 1.00 71.30 H new ATOM 512 N ASP A 32 20.813 15.954 -9.775 1.00 34.11 N ATOM 513 CA ASP A 32 21.798 15.761 -8.717 1.00 14.31 C ATOM 514 C ASP A 32 22.447 14.385 -8.823 1.00 41.12 C ATOM 515 O ASP A 32 23.429 14.095 -8.139 1.00 51.20 O ATOM 516 CB ASP A 32 21.142 15.925 -7.345 1.00 2.03 C ATOM 517 CG ASP A 32 21.394 17.293 -6.742 1.00 42.22 C ATOM 518 OD1 ASP A 32 22.541 17.778 -6.832 1.00 42.41 O ATOM 519 OD2 ASP A 32 20.445 17.878 -6.180 1.00 53.52 O ATOM 0 H ASP A 32 19.845 15.827 -9.478 1.00 34.11 H new ATOM 0 HA ASP A 32 22.573 16.518 -8.834 1.00 14.31 H new ATOM 0 HB2 ASP A 32 20.068 15.764 -7.438 1.00 2.03 H new ATOM 0 HB3 ASP A 32 21.522 15.158 -6.670 1.00 2.03 H new ATOM 524 N LYS A 33 21.892 13.540 -9.685 1.00 21.52 N ATOM 525 CA LYS A 33 22.416 12.193 -9.882 1.00 3.31 C ATOM 526 C LYS A 33 23.069 12.059 -11.254 1.00 74.22 C ATOM 527 O LYS A 33 24.066 11.356 -11.410 1.00 60.54 O ATOM 528 CB LYS A 33 21.296 11.161 -9.735 1.00 21.04 C ATOM 529 CG LYS A 33 21.798 9.754 -9.459 1.00 11.11 C ATOM 530 CD LYS A 33 21.918 9.487 -7.968 1.00 10.11 C ATOM 531 CE LYS A 33 23.131 8.626 -7.652 1.00 20.41 C ATOM 532 NZ LYS A 33 24.337 9.450 -7.363 1.00 51.43 N ATOM 0 H LYS A 33 21.079 13.764 -10.259 1.00 21.52 H new ATOM 0 HA LYS A 33 23.173 12.009 -9.119 1.00 3.31 H new ATOM 0 HB2 LYS A 33 20.635 11.468 -8.924 1.00 21.04 H new ATOM 0 HB3 LYS A 33 20.699 11.152 -10.647 1.00 21.04 H new ATOM 0 HG2 LYS A 33 21.117 9.030 -9.906 1.00 11.11 H new ATOM 0 HG3 LYS A 33 22.769 9.613 -9.934 1.00 11.11 H new ATOM 0 HD2 LYS A 33 21.993 10.434 -7.433 1.00 10.11 H new ATOM 0 HD3 LYS A 33 21.015 8.990 -7.612 1.00 10.11 H new ATOM 0 HE2 LYS A 33 22.911 7.991 -6.794 1.00 20.41 H new ATOM 0 HE3 LYS A 33 23.336 7.965 -8.494 1.00 20.41 H new ATOM 0 HZ1 LYS A 33 25.142 8.826 -7.153 1.00 51.43 H new ATOM 0 HZ2 LYS A 33 24.562 10.038 -8.191 1.00 51.43 H new ATOM 0 HZ3 LYS A 33 24.151 10.063 -6.544 1.00 51.43 H new ATOM 546 N GLU A 34 22.499 12.739 -12.244 1.00 61.14 N ATOM 547 CA GLU A 34 23.027 12.695 -13.603 1.00 31.30 C ATOM 548 C GLU A 34 23.297 14.102 -14.128 1.00 30.03 C ATOM 549 O GLU A 34 24.257 14.329 -14.862 1.00 64.33 O ATOM 550 CB GLU A 34 22.048 11.972 -14.531 1.00 25.42 C ATOM 551 CG GLU A 34 21.405 10.747 -13.902 1.00 3.01 C ATOM 552 CD GLU A 34 20.828 9.797 -14.933 1.00 15.01 C ATOM 553 OE1 GLU A 34 21.603 9.014 -15.520 1.00 3.04 O ATOM 554 OE2 GLU A 34 19.599 9.837 -15.153 1.00 33.03 O ATOM 0 H GLU A 34 21.673 13.326 -12.131 1.00 61.14 H new ATOM 0 HA GLU A 34 23.969 12.147 -13.582 1.00 31.30 H new ATOM 0 HB2 GLU A 34 21.265 12.668 -14.833 1.00 25.42 H new ATOM 0 HB3 GLU A 34 22.574 11.671 -15.437 1.00 25.42 H new ATOM 0 HG2 GLU A 34 22.147 10.219 -13.302 1.00 3.01 H new ATOM 0 HG3 GLU A 34 20.614 11.065 -13.223 1.00 3.01 H new ATOM 561 N GLY A 35 22.441 15.045 -13.745 1.00 32.41 N ATOM 562 CA GLY A 35 22.603 16.417 -14.186 1.00 51.53 C ATOM 563 C GLY A 35 22.017 16.657 -15.564 1.00 35.35 C ATOM 564 O GLY A 35 22.435 17.572 -16.273 1.00 12.21 O ATOM 0 H GLY A 35 21.638 14.882 -13.137 1.00 32.41 H new ATOM 0 HA2 GLY A 35 22.124 17.084 -13.470 1.00 51.53 H new ATOM 0 HA3 GLY A 35 23.663 16.669 -14.197 1.00 51.53 H new ATOM 568 N ILE A 36 21.047 15.831 -15.944 1.00 0.44 N ATOM 569 CA ILE A 36 20.403 15.958 -17.245 1.00 64.22 C ATOM 570 C ILE A 36 19.416 17.119 -17.260 1.00 14.44 C ATOM 571 O ILE A 36 18.580 17.267 -16.368 1.00 12.13 O ATOM 572 CB ILE A 36 19.664 14.665 -17.635 1.00 74.44 C ATOM 573 CG1 ILE A 36 19.139 14.764 -19.069 1.00 41.13 C ATOM 574 CG2 ILE A 36 18.523 14.394 -16.666 1.00 13.11 C ATOM 575 CD1 ILE A 36 20.119 14.263 -20.107 1.00 73.32 C ATOM 0 H ILE A 36 20.691 15.067 -15.369 1.00 0.44 H new ATOM 0 HA ILE A 36 21.194 16.148 -17.971 1.00 64.22 H new ATOM 0 HB ILE A 36 20.366 13.833 -17.581 1.00 74.44 H new ATOM 0 HG12 ILE A 36 18.214 14.193 -19.149 1.00 41.13 H new ATOM 0 HG13 ILE A 36 18.892 15.803 -19.286 1.00 41.13 H new ATOM 0 HG21 ILE A 36 18.010 13.477 -16.955 1.00 13.11 H new ATOM 0 HG22 ILE A 36 18.921 14.285 -15.657 1.00 13.11 H new ATOM 0 HG23 ILE A 36 17.819 15.226 -16.691 1.00 13.11 H new ATOM 0 HD11 ILE A 36 19.680 14.363 -21.100 1.00 73.32 H new ATOM 0 HD12 ILE A 36 21.036 14.850 -20.055 1.00 73.32 H new ATOM 0 HD13 ILE A 36 20.348 13.215 -19.915 1.00 73.32 H new ATOM 587 N PRO A 37 19.511 17.964 -18.297 1.00 53.21 N ATOM 588 CA PRO A 37 18.632 19.127 -18.455 1.00 33.35 C ATOM 589 C PRO A 37 17.197 18.728 -18.784 1.00 41.32 C ATOM 590 O PRO A 37 16.903 18.211 -19.862 1.00 22.10 O ATOM 591 CB PRO A 37 19.258 19.889 -19.625 1.00 75.33 C ATOM 592 CG PRO A 37 19.991 18.851 -20.404 1.00 13.43 C ATOM 593 CD PRO A 37 20.483 17.849 -19.397 1.00 3.23 C ATOM 0 HA PRO A 37 18.561 19.712 -17.538 1.00 33.35 H new ATOM 0 HB2 PRO A 37 18.496 20.376 -20.233 1.00 75.33 H new ATOM 0 HB3 PRO A 37 19.932 20.670 -19.273 1.00 75.33 H new ATOM 0 HG2 PRO A 37 19.337 18.379 -21.137 1.00 13.43 H new ATOM 0 HG3 PRO A 37 20.822 19.291 -20.955 1.00 13.43 H new ATOM 0 HD2 PRO A 37 20.504 16.841 -19.811 1.00 3.23 H new ATOM 0 HD3 PRO A 37 21.495 18.078 -19.064 1.00 3.23 H new ATOM 601 N PRO A 38 16.281 18.974 -17.836 1.00 0.31 N ATOM 602 CA PRO A 38 14.861 18.650 -18.004 1.00 24.35 C ATOM 603 C PRO A 38 14.180 19.545 -19.032 1.00 54.14 C ATOM 604 O PRO A 38 12.982 19.415 -19.285 1.00 53.45 O ATOM 605 CB PRO A 38 14.275 18.893 -16.611 1.00 10.13 C ATOM 606 CG PRO A 38 15.191 19.886 -15.982 1.00 72.13 C ATOM 607 CD PRO A 38 16.560 19.589 -16.527 1.00 65.31 C ATOM 0 HA PRO A 38 14.715 17.634 -18.372 1.00 24.35 H new ATOM 0 HB2 PRO A 38 13.257 19.277 -16.671 1.00 10.13 H new ATOM 0 HB3 PRO A 38 14.234 17.970 -16.032 1.00 10.13 H new ATOM 0 HG2 PRO A 38 14.887 20.905 -16.223 1.00 72.13 H new ATOM 0 HG3 PRO A 38 15.176 19.798 -14.896 1.00 72.13 H new ATOM 0 HD2 PRO A 38 17.157 20.495 -16.628 1.00 65.31 H new ATOM 0 HD3 PRO A 38 17.114 18.913 -15.875 1.00 65.31 H new ATOM 615 N ASP A 39 14.949 20.452 -19.623 1.00 5.53 N ATOM 616 CA ASP A 39 14.420 21.369 -20.626 1.00 34.22 C ATOM 617 C ASP A 39 14.017 20.617 -21.891 1.00 23.55 C ATOM 618 O ASP A 39 13.270 21.134 -22.720 1.00 34.03 O ATOM 619 CB ASP A 39 15.455 22.443 -20.964 1.00 32.21 C ATOM 620 CG ASP A 39 15.242 23.720 -20.176 1.00 3.24 C ATOM 621 OD1 ASP A 39 14.075 24.140 -20.029 1.00 2.11 O ATOM 622 OD2 ASP A 39 16.243 24.300 -19.705 1.00 21.45 O ATOM 0 H ASP A 39 15.942 20.572 -19.425 1.00 5.53 H new ATOM 0 HA ASP A 39 13.533 21.849 -20.212 1.00 34.22 H new ATOM 0 HB2 ASP A 39 16.454 22.057 -20.762 1.00 32.21 H new ATOM 0 HB3 ASP A 39 15.409 22.665 -22.030 1.00 32.21 H new ATOM 627 N GLN A 40 14.520 19.394 -22.031 1.00 35.02 N ATOM 628 CA GLN A 40 14.214 18.572 -23.196 1.00 13.04 C ATOM 629 C GLN A 40 13.422 17.332 -22.794 1.00 52.01 C ATOM 630 O GLN A 40 13.224 16.423 -23.600 1.00 51.41 O ATOM 631 CB GLN A 40 15.503 18.160 -23.908 1.00 20.20 C ATOM 632 CG GLN A 40 16.295 19.334 -24.461 1.00 31.15 C ATOM 633 CD GLN A 40 16.598 19.189 -25.939 1.00 1.32 C ATOM 634 OE1 GLN A 40 17.756 19.239 -26.355 1.00 22.45 O ATOM 635 NE2 GLN A 40 15.556 19.009 -26.742 1.00 43.53 N ATOM 0 H GLN A 40 15.140 18.951 -21.353 1.00 35.02 H new ATOM 0 HA GLN A 40 13.604 19.165 -23.878 1.00 13.04 H new ATOM 0 HB2 GLN A 40 16.131 17.605 -23.212 1.00 20.20 H new ATOM 0 HB3 GLN A 40 15.256 17.482 -24.725 1.00 20.20 H new ATOM 0 HG2 GLN A 40 15.735 20.255 -24.297 1.00 31.15 H new ATOM 0 HG3 GLN A 40 17.231 19.428 -23.910 1.00 31.15 H new ATOM 0 HE21 GLN A 40 14.613 18.974 -26.354 1.00 43.53 H new ATOM 0 HE22 GLN A 40 15.698 18.906 -27.747 1.00 43.53 H new ATOM 644 N GLN A 41 12.972 17.302 -21.544 1.00 1.32 N ATOM 645 CA GLN A 41 12.203 16.173 -21.036 1.00 32.42 C ATOM 646 C GLN A 41 10.718 16.514 -20.963 1.00 21.14 C ATOM 647 O GLN A 41 10.330 17.510 -20.353 1.00 13.41 O ATOM 648 CB GLN A 41 12.712 15.762 -19.653 1.00 65.44 C ATOM 649 CG GLN A 41 13.852 14.756 -19.699 1.00 54.11 C ATOM 650 CD GLN A 41 13.440 13.435 -20.319 1.00 52.52 C ATOM 651 OE1 GLN A 41 12.900 12.560 -19.642 1.00 25.21 O ATOM 652 NE2 GLN A 41 13.692 13.285 -21.614 1.00 61.12 N ATOM 0 H GLN A 41 13.127 18.047 -20.865 1.00 1.32 H new ATOM 0 HA GLN A 41 12.332 15.339 -21.726 1.00 32.42 H new ATOM 0 HB2 GLN A 41 13.045 16.652 -19.118 1.00 65.44 H new ATOM 0 HB3 GLN A 41 11.886 15.337 -19.082 1.00 65.44 H new ATOM 0 HG2 GLN A 41 14.681 15.177 -20.268 1.00 54.11 H new ATOM 0 HG3 GLN A 41 14.217 14.580 -18.687 1.00 54.11 H new ATOM 0 HE21 GLN A 41 14.142 14.037 -22.137 1.00 61.12 H new ATOM 0 HE22 GLN A 41 13.436 12.418 -22.086 1.00 61.12 H new ATOM 661 N ARG A 42 9.893 15.681 -21.588 1.00 70.03 N ATOM 662 CA ARG A 42 8.451 15.896 -21.595 1.00 70.33 C ATOM 663 C ARG A 42 7.725 14.735 -20.920 1.00 42.55 C ATOM 664 O ARG A 42 7.730 13.610 -21.422 1.00 13.41 O ATOM 665 CB ARG A 42 7.946 16.062 -23.030 1.00 14.34 C ATOM 666 CG ARG A 42 7.104 17.311 -23.238 1.00 31.43 C ATOM 667 CD ARG A 42 5.753 17.192 -22.550 1.00 54.23 C ATOM 668 NE ARG A 42 5.443 18.371 -21.746 1.00 32.15 N ATOM 669 CZ ARG A 42 5.123 19.551 -22.264 1.00 4.51 C ATOM 670 NH1 ARG A 42 5.072 19.710 -23.579 1.00 74.43 N ATOM 671 NH2 ARG A 42 4.854 20.577 -21.466 1.00 25.11 N ATOM 0 H ARG A 42 10.198 14.851 -22.096 1.00 70.03 H new ATOM 0 HA ARG A 42 8.242 16.808 -21.035 1.00 70.33 H new ATOM 0 HB2 ARG A 42 8.801 16.093 -23.706 1.00 14.34 H new ATOM 0 HB3 ARG A 42 7.356 15.187 -23.302 1.00 14.34 H new ATOM 0 HG2 ARG A 42 7.636 18.179 -22.849 1.00 31.43 H new ATOM 0 HG3 ARG A 42 6.957 17.479 -24.305 1.00 31.43 H new ATOM 0 HD2 ARG A 42 4.975 17.050 -23.300 1.00 54.23 H new ATOM 0 HD3 ARG A 42 5.747 16.307 -21.913 1.00 54.23 H new ATOM 0 HE ARG A 42 5.474 18.283 -20.730 1.00 32.15 H new ATOM 0 HH11 ARG A 42 5.279 18.925 -24.196 1.00 74.43 H new ATOM 0 HH12 ARG A 42 4.826 20.618 -23.974 1.00 74.43 H new ATOM 0 HH21 ARG A 42 4.893 20.460 -20.454 1.00 25.11 H new ATOM 0 HH22 ARG A 42 4.608 21.483 -21.865 1.00 25.11 H new ATOM 685 N LEU A 43 7.103 15.016 -19.781 1.00 2.42 N ATOM 686 CA LEU A 43 6.373 13.996 -19.036 1.00 2.30 C ATOM 687 C LEU A 43 4.938 13.878 -19.538 1.00 53.31 C ATOM 688 O LEU A 43 4.230 14.878 -19.664 1.00 34.15 O ATOM 689 CB LEU A 43 6.378 14.326 -17.542 1.00 54.33 C ATOM 690 CG LEU A 43 7.726 14.735 -16.949 1.00 43.33 C ATOM 691 CD1 LEU A 43 7.636 16.118 -16.322 1.00 24.20 C ATOM 692 CD2 LEU A 43 8.191 13.711 -15.924 1.00 15.43 C ATOM 0 H LEU A 43 7.089 15.942 -19.353 1.00 2.42 H new ATOM 0 HA LEU A 43 6.872 13.040 -19.192 1.00 2.30 H new ATOM 0 HB2 LEU A 43 5.667 15.133 -17.366 1.00 54.33 H new ATOM 0 HB3 LEU A 43 6.013 13.455 -16.997 1.00 54.33 H new ATOM 0 HG LEU A 43 8.460 14.771 -17.754 1.00 43.33 H new ATOM 0 HD11 LEU A 43 8.605 16.392 -15.905 1.00 24.20 H new ATOM 0 HD12 LEU A 43 7.350 16.844 -17.083 1.00 24.20 H new ATOM 0 HD13 LEU A 43 6.889 16.110 -15.528 1.00 24.20 H new ATOM 0 HD21 LEU A 43 9.152 14.019 -15.512 1.00 15.43 H new ATOM 0 HD22 LEU A 43 7.458 13.642 -15.120 1.00 15.43 H new ATOM 0 HD23 LEU A 43 8.297 12.738 -16.404 1.00 15.43 H new ATOM 704 N ILE A 44 4.515 12.651 -19.822 1.00 13.13 N ATOM 705 CA ILE A 44 3.163 12.403 -20.307 1.00 33.45 C ATOM 706 C ILE A 44 2.518 11.238 -19.564 1.00 33.44 C ATOM 707 O ILE A 44 3.124 10.178 -19.402 1.00 40.30 O ATOM 708 CB ILE A 44 3.153 12.102 -21.817 1.00 53.20 C ATOM 709 CG1 ILE A 44 4.497 12.480 -22.443 1.00 72.22 C ATOM 710 CG2 ILE A 44 2.016 12.850 -22.498 1.00 62.22 C ATOM 711 CD1 ILE A 44 5.544 11.395 -22.325 1.00 63.13 C ATOM 0 H ILE A 44 5.089 11.813 -19.725 1.00 13.13 H new ATOM 0 HA ILE A 44 2.590 13.311 -20.122 1.00 33.45 H new ATOM 0 HB ILE A 44 2.995 11.033 -21.959 1.00 53.20 H new ATOM 0 HG12 ILE A 44 4.345 12.714 -23.497 1.00 72.22 H new ATOM 0 HG13 ILE A 44 4.869 13.386 -21.966 1.00 72.22 H new ATOM 0 HG21 ILE A 44 2.022 12.627 -23.565 1.00 62.22 H new ATOM 0 HG22 ILE A 44 1.065 12.537 -22.067 1.00 62.22 H new ATOM 0 HG23 ILE A 44 2.146 13.922 -22.350 1.00 62.22 H new ATOM 0 HD11 ILE A 44 6.471 11.731 -22.790 1.00 63.13 H new ATOM 0 HD12 ILE A 44 5.725 11.177 -21.272 1.00 63.13 H new ATOM 0 HD13 ILE A 44 5.192 10.494 -22.827 1.00 63.13 H new ATOM 723 N PHE A 45 1.283 11.440 -19.115 1.00 24.03 N ATOM 724 CA PHE A 45 0.555 10.406 -18.389 1.00 54.02 C ATOM 725 C PHE A 45 -0.941 10.491 -18.677 1.00 54.15 C ATOM 726 O PHE A 45 -1.532 11.570 -18.637 1.00 43.11 O ATOM 727 CB PHE A 45 0.804 10.537 -16.885 1.00 71.42 C ATOM 728 CG PHE A 45 2.222 10.891 -16.541 1.00 42.52 C ATOM 729 CD1 PHE A 45 3.209 9.919 -16.526 1.00 3.35 C ATOM 730 CD2 PHE A 45 2.568 12.197 -16.233 1.00 3.30 C ATOM 731 CE1 PHE A 45 4.516 10.243 -16.210 1.00 34.52 C ATOM 732 CE2 PHE A 45 3.873 12.527 -15.917 1.00 32.51 C ATOM 733 CZ PHE A 45 4.847 11.548 -15.904 1.00 64.20 C ATOM 0 H PHE A 45 0.766 12.310 -19.241 1.00 24.03 H new ATOM 0 HA PHE A 45 0.918 9.436 -18.727 1.00 54.02 H new ATOM 0 HB2 PHE A 45 0.139 11.300 -16.480 1.00 71.42 H new ATOM 0 HB3 PHE A 45 0.544 9.597 -16.399 1.00 71.42 H new ATOM 0 HD1 PHE A 45 2.955 8.897 -16.764 1.00 3.35 H new ATOM 0 HD2 PHE A 45 1.810 12.966 -16.240 1.00 3.30 H new ATOM 0 HE1 PHE A 45 5.277 9.476 -16.203 1.00 34.52 H new ATOM 0 HE2 PHE A 45 4.130 13.549 -15.681 1.00 32.51 H new ATOM 0 HZ PHE A 45 5.866 11.803 -15.655 1.00 64.20 H new ATOM 743 N ALA A 46 -1.548 9.345 -18.969 1.00 42.01 N ATOM 744 CA ALA A 46 -2.974 9.289 -19.263 1.00 33.31 C ATOM 745 C ALA A 46 -3.300 10.043 -20.547 1.00 54.23 C ATOM 746 O ALA A 46 -4.446 10.425 -20.780 1.00 53.44 O ATOM 747 CB ALA A 46 -3.776 9.853 -18.099 1.00 44.11 C ATOM 0 H ALA A 46 -1.074 8.443 -19.008 1.00 42.01 H new ATOM 0 HA ALA A 46 -3.249 8.244 -19.407 1.00 33.31 H new ATOM 0 HB1 ALA A 46 -4.840 9.805 -18.333 1.00 44.11 H new ATOM 0 HB2 ALA A 46 -3.575 9.268 -17.201 1.00 44.11 H new ATOM 0 HB3 ALA A 46 -3.489 10.890 -17.928 1.00 44.11 H new ATOM 753 N GLY A 47 -2.284 10.255 -21.378 1.00 52.13 N ATOM 754 CA GLY A 47 -2.484 10.964 -22.629 1.00 21.12 C ATOM 755 C GLY A 47 -2.538 12.467 -22.441 1.00 14.00 C ATOM 756 O GLY A 47 -2.749 13.213 -23.398 1.00 25.03 O ATOM 0 H GLY A 47 -1.326 9.949 -21.207 1.00 52.13 H new ATOM 0 HA2 GLY A 47 -1.676 10.716 -23.317 1.00 21.12 H new ATOM 0 HA3 GLY A 47 -3.411 10.625 -23.091 1.00 21.12 H new ATOM 760 N LYS A 48 -2.350 12.914 -21.204 1.00 15.30 N ATOM 761 CA LYS A 48 -2.380 14.338 -20.892 1.00 44.31 C ATOM 762 C LYS A 48 -1.011 14.820 -20.422 1.00 0.41 C ATOM 763 O LYS A 48 -0.338 14.143 -19.645 1.00 51.15 O ATOM 764 CB LYS A 48 -3.430 14.624 -19.817 1.00 10.45 C ATOM 765 CG LYS A 48 -4.726 15.192 -20.368 1.00 54.02 C ATOM 766 CD LYS A 48 -4.978 16.602 -19.862 1.00 2.35 C ATOM 767 CE LYS A 48 -6.152 17.251 -20.578 1.00 35.21 C ATOM 768 NZ LYS A 48 -6.932 18.139 -19.672 1.00 55.25 N ATOM 0 H LYS A 48 -2.175 12.310 -20.401 1.00 15.30 H new ATOM 0 HA LYS A 48 -2.644 14.878 -21.801 1.00 44.31 H new ATOM 0 HB2 LYS A 48 -3.647 13.701 -19.279 1.00 10.45 H new ATOM 0 HB3 LYS A 48 -3.015 15.325 -19.093 1.00 10.45 H new ATOM 0 HG2 LYS A 48 -4.688 15.197 -21.457 1.00 54.02 H new ATOM 0 HG3 LYS A 48 -5.557 14.548 -20.081 1.00 54.02 H new ATOM 0 HD2 LYS A 48 -5.174 16.575 -18.790 1.00 2.35 H new ATOM 0 HD3 LYS A 48 -4.083 17.207 -20.007 1.00 2.35 H new ATOM 0 HE2 LYS A 48 -5.785 17.829 -21.426 1.00 35.21 H new ATOM 0 HE3 LYS A 48 -6.806 16.477 -20.979 1.00 35.21 H new ATOM 0 HZ1 LYS A 48 -7.723 18.562 -20.198 1.00 55.25 H new ATOM 0 HZ2 LYS A 48 -7.303 17.583 -18.876 1.00 55.25 H new ATOM 0 HZ3 LYS A 48 -6.315 18.893 -19.309 1.00 55.25 H new ATOM 782 N GLN A 49 -0.607 15.994 -20.897 1.00 1.34 N ATOM 783 CA GLN A 49 0.681 16.566 -20.523 1.00 44.14 C ATOM 784 C GLN A 49 0.636 17.134 -19.109 1.00 32.45 C ATOM 785 O GLN A 49 -0.195 17.988 -18.797 1.00 42.35 O ATOM 786 CB GLN A 49 1.083 17.662 -21.512 1.00 75.14 C ATOM 787 CG GLN A 49 1.214 17.170 -22.945 1.00 14.31 C ATOM 788 CD GLN A 49 0.014 17.531 -23.798 1.00 14.40 C ATOM 789 OE1 GLN A 49 -0.739 16.659 -24.232 1.00 61.04 O ATOM 790 NE2 GLN A 49 -0.172 18.823 -24.043 1.00 2.43 N ATOM 0 H GLN A 49 -1.152 16.567 -21.541 1.00 1.34 H new ATOM 0 HA GLN A 49 1.424 15.769 -20.551 1.00 44.14 H new ATOM 0 HB2 GLN A 49 0.342 18.461 -21.477 1.00 75.14 H new ATOM 0 HB3 GLN A 49 2.033 18.094 -21.197 1.00 75.14 H new ATOM 0 HG2 GLN A 49 2.113 17.596 -23.391 1.00 14.31 H new ATOM 0 HG3 GLN A 49 1.341 16.087 -22.943 1.00 14.31 H new ATOM 0 HE21 GLN A 49 0.477 19.513 -23.663 1.00 2.43 H new ATOM 0 HE22 GLN A 49 -0.964 19.126 -24.611 1.00 2.43 H new ATOM 799 N LEU A 50 1.533 16.653 -18.255 1.00 32.03 N ATOM 800 CA LEU A 50 1.595 17.112 -16.871 1.00 41.13 C ATOM 801 C LEU A 50 2.365 18.425 -16.767 1.00 70.34 C ATOM 802 O LEU A 50 3.435 18.576 -17.356 1.00 72.43 O ATOM 803 CB LEU A 50 2.254 16.050 -15.990 1.00 23.21 C ATOM 804 CG LEU A 50 1.599 15.805 -14.630 1.00 5.30 C ATOM 805 CD1 LEU A 50 0.337 14.972 -14.788 1.00 12.45 C ATOM 806 CD2 LEU A 50 2.576 15.123 -13.683 1.00 12.12 C ATOM 0 H LEU A 50 2.227 15.946 -18.496 1.00 32.03 H new ATOM 0 HA LEU A 50 0.576 17.281 -16.524 1.00 41.13 H new ATOM 0 HB2 LEU A 50 2.268 15.109 -16.539 1.00 23.21 H new ATOM 0 HB3 LEU A 50 3.292 16.337 -15.824 1.00 23.21 H new ATOM 0 HG LEU A 50 1.322 16.769 -14.202 1.00 5.30 H new ATOM 0 HD11 LEU A 50 -0.115 14.808 -13.810 1.00 12.45 H new ATOM 0 HD12 LEU A 50 -0.369 15.499 -15.430 1.00 12.45 H new ATOM 0 HD13 LEU A 50 0.589 14.011 -15.237 1.00 12.45 H new ATOM 0 HD21 LEU A 50 2.093 14.956 -12.720 1.00 12.12 H new ATOM 0 HD22 LEU A 50 2.884 14.166 -14.105 1.00 12.12 H new ATOM 0 HD23 LEU A 50 3.452 15.757 -13.545 1.00 12.12 H new ATOM 818 N GLU A 51 1.814 19.370 -16.013 1.00 14.22 N ATOM 819 CA GLU A 51 2.450 20.669 -15.831 1.00 41.51 C ATOM 820 C GLU A 51 3.411 20.643 -14.646 1.00 45.43 C ATOM 821 O GLU A 51 3.139 20.012 -13.625 1.00 75.45 O ATOM 822 CB GLU A 51 1.393 21.755 -15.620 1.00 53.11 C ATOM 823 CG GLU A 51 1.915 23.165 -15.843 1.00 33.43 C ATOM 824 CD GLU A 51 1.669 23.662 -17.254 1.00 64.52 C ATOM 825 OE1 GLU A 51 0.595 23.357 -17.812 1.00 52.55 O ATOM 826 OE2 GLU A 51 2.553 24.355 -17.800 1.00 41.12 O ATOM 0 H GLU A 51 0.929 19.261 -15.518 1.00 14.22 H new ATOM 0 HA GLU A 51 3.018 20.896 -16.733 1.00 41.51 H new ATOM 0 HB2 GLU A 51 0.558 21.574 -16.298 1.00 53.11 H new ATOM 0 HB3 GLU A 51 1.002 21.678 -14.605 1.00 53.11 H new ATOM 0 HG2 GLU A 51 1.437 23.842 -15.135 1.00 33.43 H new ATOM 0 HG3 GLU A 51 2.985 23.190 -15.634 1.00 33.43 H new ATOM 833 N ASP A 52 4.537 21.334 -14.791 1.00 23.45 N ATOM 834 CA ASP A 52 5.540 21.391 -13.733 1.00 71.30 C ATOM 835 C ASP A 52 4.928 21.896 -12.430 1.00 55.14 C ATOM 836 O ASP A 52 5.460 21.655 -11.348 1.00 32.12 O ATOM 837 CB ASP A 52 6.701 22.295 -14.150 1.00 12.11 C ATOM 838 CG ASP A 52 6.233 23.658 -14.620 1.00 12.54 C ATOM 839 OD1 ASP A 52 6.053 24.550 -13.765 1.00 10.54 O ATOM 840 OD2 ASP A 52 6.046 23.833 -15.842 1.00 54.21 O ATOM 0 H ASP A 52 4.778 21.862 -15.630 1.00 23.45 H new ATOM 0 HA ASP A 52 5.917 20.381 -13.569 1.00 71.30 H new ATOM 0 HB2 ASP A 52 7.382 22.418 -13.308 1.00 12.11 H new ATOM 0 HB3 ASP A 52 7.265 21.812 -14.948 1.00 12.11 H new ATOM 845 N GLY A 53 3.805 22.600 -12.544 1.00 2.12 N ATOM 846 CA GLY A 53 3.140 23.130 -11.368 1.00 33.42 C ATOM 847 C GLY A 53 2.069 22.197 -10.838 1.00 74.35 C ATOM 848 O GLY A 53 1.252 22.588 -10.005 1.00 10.25 O ATOM 0 H GLY A 53 3.345 22.812 -13.429 1.00 2.12 H new ATOM 0 HA2 GLY A 53 3.879 23.311 -10.587 1.00 33.42 H new ATOM 0 HA3 GLY A 53 2.691 24.093 -11.611 1.00 33.42 H new ATOM 852 N ARG A 54 2.070 20.960 -11.325 1.00 23.12 N ATOM 853 CA ARG A 54 1.089 19.970 -10.897 1.00 64.44 C ATOM 854 C ARG A 54 1.722 18.950 -9.955 1.00 33.41 C ATOM 855 O ARG A 54 2.935 18.738 -9.974 1.00 73.35 O ATOM 856 CB ARG A 54 0.491 19.256 -12.111 1.00 43.12 C ATOM 857 CG ARG A 54 -1.012 19.434 -12.243 1.00 15.44 C ATOM 858 CD ARG A 54 -1.360 20.746 -12.930 1.00 30.33 C ATOM 859 NE ARG A 54 -2.774 20.818 -13.289 1.00 22.44 N ATOM 860 CZ ARG A 54 -3.748 20.998 -12.404 1.00 53.22 C ATOM 861 NH1 ARG A 54 -3.463 21.125 -11.115 1.00 74.15 N ATOM 862 NH2 ARG A 54 -5.011 21.053 -12.808 1.00 70.23 N ATOM 0 H ARG A 54 2.739 20.620 -12.016 1.00 23.12 H new ATOM 0 HA ARG A 54 0.295 20.490 -10.362 1.00 64.44 H new ATOM 0 HB2 ARG A 54 0.973 19.629 -13.015 1.00 43.12 H new ATOM 0 HB3 ARG A 54 0.718 18.192 -12.044 1.00 43.12 H new ATOM 0 HG2 ARG A 54 -1.429 18.603 -12.811 1.00 15.44 H new ATOM 0 HG3 ARG A 54 -1.471 19.407 -11.255 1.00 15.44 H new ATOM 0 HD2 ARG A 54 -1.111 21.578 -12.271 1.00 30.33 H new ATOM 0 HD3 ARG A 54 -0.752 20.857 -13.828 1.00 30.33 H new ATOM 0 HE ARG A 54 -3.027 20.725 -14.273 1.00 22.44 H new ATOM 0 HH11 ARG A 54 -2.493 21.085 -10.801 1.00 74.15 H new ATOM 0 HH12 ARG A 54 -4.213 21.263 -10.438 1.00 74.15 H new ATOM 0 HH21 ARG A 54 -5.234 20.957 -13.799 1.00 70.23 H new ATOM 0 HH22 ARG A 54 -5.758 21.191 -12.128 1.00 70.23 H new ATOM 876 N THR A 55 0.891 18.320 -9.129 1.00 64.13 N ATOM 877 CA THR A 55 1.369 17.324 -8.178 1.00 75.25 C ATOM 878 C THR A 55 0.836 15.937 -8.521 1.00 51.21 C ATOM 879 O THR A 55 -0.135 15.801 -9.267 1.00 20.42 O ATOM 880 CB THR A 55 0.955 17.679 -6.738 1.00 34.32 C ATOM 881 OG1 THR A 55 0.728 19.088 -6.626 1.00 42.23 O ATOM 882 CG2 THR A 55 2.026 17.252 -5.746 1.00 45.12 C ATOM 0 H THR A 55 -0.116 18.482 -9.100 1.00 64.13 H new ATOM 0 HA THR A 55 2.457 17.319 -8.245 1.00 75.25 H new ATOM 0 HB THR A 55 0.034 17.144 -6.506 1.00 34.32 H new ATOM 0 HG1 THR A 55 0.463 19.305 -5.708 1.00 42.23 H new ATOM 0 HG21 THR A 55 1.711 17.513 -4.736 1.00 45.12 H new ATOM 0 HG22 THR A 55 2.175 16.174 -5.813 1.00 45.12 H new ATOM 0 HG23 THR A 55 2.961 17.762 -5.978 1.00 45.12 H new ATOM 890 N LEU A 56 1.476 14.911 -7.972 1.00 72.43 N ATOM 891 CA LEU A 56 1.065 13.533 -8.219 1.00 65.44 C ATOM 892 C LEU A 56 -0.362 13.295 -7.738 1.00 53.01 C ATOM 893 O LEU A 56 -1.198 12.775 -8.477 1.00 35.13 O ATOM 894 CB LEU A 56 2.020 12.562 -7.521 1.00 14.55 C ATOM 895 CG LEU A 56 3.092 11.923 -8.403 1.00 42.31 C ATOM 896 CD1 LEU A 56 4.110 12.963 -8.844 1.00 3.51 C ATOM 897 CD2 LEU A 56 3.778 10.782 -7.667 1.00 30.32 C ATOM 0 H LEU A 56 2.281 15.007 -7.353 1.00 72.43 H new ATOM 0 HA LEU A 56 1.100 13.357 -9.294 1.00 65.44 H new ATOM 0 HB2 LEU A 56 2.516 13.093 -6.708 1.00 14.55 H new ATOM 0 HB3 LEU A 56 1.429 11.766 -7.068 1.00 14.55 H new ATOM 0 HG LEU A 56 2.609 11.517 -9.292 1.00 42.31 H new ATOM 0 HD11 LEU A 56 4.865 12.490 -9.471 1.00 3.51 H new ATOM 0 HD12 LEU A 56 3.607 13.747 -9.411 1.00 3.51 H new ATOM 0 HD13 LEU A 56 4.588 13.399 -7.967 1.00 3.51 H new ATOM 0 HD21 LEU A 56 4.538 10.339 -8.310 1.00 30.32 H new ATOM 0 HD22 LEU A 56 4.248 11.164 -6.760 1.00 30.32 H new ATOM 0 HD23 LEU A 56 3.040 10.024 -7.402 1.00 30.32 H new ATOM 909 N SER A 57 -0.635 13.681 -6.496 1.00 4.51 N ATOM 910 CA SER A 57 -1.961 13.509 -5.915 1.00 61.10 C ATOM 911 C SER A 57 -3.017 14.225 -6.751 1.00 75.41 C ATOM 912 O SER A 57 -4.151 13.760 -6.869 1.00 73.53 O ATOM 913 CB SER A 57 -1.985 14.038 -4.480 1.00 12.31 C ATOM 914 OG SER A 57 -3.086 13.511 -3.760 1.00 52.03 O ATOM 0 H SER A 57 0.045 14.115 -5.872 1.00 4.51 H new ATOM 0 HA SER A 57 -2.191 12.444 -5.905 1.00 61.10 H new ATOM 0 HB2 SER A 57 -1.056 13.772 -3.976 1.00 12.31 H new ATOM 0 HB3 SER A 57 -2.041 15.126 -4.491 1.00 12.31 H new ATOM 0 HG SER A 57 -3.078 13.863 -2.846 1.00 52.03 H new ATOM 920 N ASP A 58 -2.637 15.359 -7.329 1.00 61.50 N ATOM 921 CA ASP A 58 -3.550 16.140 -8.155 1.00 71.44 C ATOM 922 C ASP A 58 -3.997 15.341 -9.376 1.00 24.11 C ATOM 923 O ASP A 58 -5.073 15.576 -9.925 1.00 14.44 O ATOM 924 CB ASP A 58 -2.883 17.442 -8.599 1.00 43.31 C ATOM 925 CG ASP A 58 -3.777 18.274 -9.498 1.00 24.21 C ATOM 926 OD1 ASP A 58 -3.800 18.011 -10.719 1.00 34.12 O ATOM 927 OD2 ASP A 58 -4.453 19.187 -8.980 1.00 71.25 O ATOM 0 H ASP A 58 -1.702 15.758 -7.241 1.00 61.50 H new ATOM 0 HA ASP A 58 -4.429 16.377 -7.556 1.00 71.44 H new ATOM 0 HB2 ASP A 58 -2.612 18.026 -7.720 1.00 43.31 H new ATOM 0 HB3 ASP A 58 -1.957 17.211 -9.126 1.00 43.31 H new ATOM 932 N TYR A 59 -3.162 14.397 -9.796 1.00 70.22 N ATOM 933 CA TYR A 59 -3.469 13.566 -10.954 1.00 61.33 C ATOM 934 C TYR A 59 -4.248 12.321 -10.541 1.00 21.14 C ATOM 935 O TYR A 59 -4.583 11.480 -11.373 1.00 75.03 O ATOM 936 CB TYR A 59 -2.181 13.160 -11.673 1.00 20.34 C ATOM 937 CG TYR A 59 -2.273 13.251 -13.179 1.00 51.31 C ATOM 938 CD1 TYR A 59 -2.708 14.417 -13.798 1.00 62.13 C ATOM 939 CD2 TYR A 59 -1.927 12.173 -13.983 1.00 64.41 C ATOM 940 CE1 TYR A 59 -2.794 14.505 -15.174 1.00 53.13 C ATOM 941 CE2 TYR A 59 -2.009 12.252 -15.360 1.00 5.33 C ATOM 942 CZ TYR A 59 -2.443 13.420 -15.951 1.00 11.54 C ATOM 943 OH TYR A 59 -2.527 13.503 -17.322 1.00 15.45 O ATOM 0 H TYR A 59 -2.268 14.188 -9.352 1.00 70.22 H new ATOM 0 HA TYR A 59 -4.088 14.151 -11.634 1.00 61.33 H new ATOM 0 HB2 TYR A 59 -1.366 13.797 -11.328 1.00 20.34 H new ATOM 0 HB3 TYR A 59 -1.926 12.138 -11.394 1.00 20.34 H new ATOM 0 HD1 TYR A 59 -2.983 15.268 -13.193 1.00 62.13 H new ATOM 0 HD2 TYR A 59 -1.588 11.256 -13.524 1.00 64.41 H new ATOM 0 HE1 TYR A 59 -3.134 15.418 -15.639 1.00 53.13 H new ATOM 0 HE2 TYR A 59 -1.735 11.404 -15.970 1.00 5.33 H new ATOM 0 HH TYR A 59 -1.780 13.013 -17.726 1.00 15.45 H new ATOM 953 N ASN A 60 -4.532 12.212 -9.247 1.00 34.21 N ATOM 954 CA ASN A 60 -5.272 11.070 -8.721 1.00 2.25 C ATOM 955 C ASN A 60 -4.598 9.758 -9.112 1.00 52.50 C ATOM 956 O ASN A 60 -5.269 8.764 -9.391 1.00 43.12 O ATOM 957 CB ASN A 60 -6.713 11.089 -9.234 1.00 12.35 C ATOM 958 CG ASN A 60 -7.623 11.942 -8.370 1.00 61.21 C ATOM 959 OD1 ASN A 60 -8.085 13.002 -8.793 1.00 62.54 O ATOM 960 ND2 ASN A 60 -7.884 11.482 -7.152 1.00 71.41 N ATOM 0 H ASN A 60 -4.261 12.900 -8.544 1.00 34.21 H new ATOM 0 HA ASN A 60 -5.280 11.144 -7.634 1.00 2.25 H new ATOM 0 HB2 ASN A 60 -6.727 11.468 -10.256 1.00 12.35 H new ATOM 0 HB3 ASN A 60 -7.098 10.070 -9.266 1.00 12.35 H new ATOM 0 HD21 ASN A 60 -8.489 12.012 -6.525 1.00 71.41 H new ATOM 0 HD22 ASN A 60 -7.479 10.598 -6.843 1.00 71.41 H new ATOM 967 N ILE A 61 -3.270 9.764 -9.130 1.00 3.25 N ATOM 968 CA ILE A 61 -2.506 8.575 -9.485 1.00 23.21 C ATOM 969 C ILE A 61 -2.579 7.525 -8.382 1.00 22.43 C ATOM 970 O ILE A 61 -1.845 7.594 -7.396 1.00 42.14 O ATOM 971 CB ILE A 61 -1.029 8.915 -9.757 1.00 44.03 C ATOM 972 CG1 ILE A 61 -0.453 9.744 -8.607 1.00 51.13 C ATOM 973 CG2 ILE A 61 -0.891 9.661 -11.076 1.00 14.41 C ATOM 974 CD1 ILE A 61 0.840 9.190 -8.051 1.00 12.01 C ATOM 0 H ILE A 61 -2.701 10.579 -8.903 1.00 3.25 H new ATOM 0 HA ILE A 61 -2.952 8.174 -10.395 1.00 23.21 H new ATOM 0 HB ILE A 61 -0.465 7.985 -9.827 1.00 44.03 H new ATOM 0 HG12 ILE A 61 -0.283 10.763 -8.954 1.00 51.13 H new ATOM 0 HG13 ILE A 61 -1.190 9.799 -7.805 1.00 51.13 H new ATOM 0 HG21 ILE A 61 0.159 9.894 -11.254 1.00 14.41 H new ATOM 0 HG22 ILE A 61 -1.267 9.038 -11.887 1.00 14.41 H new ATOM 0 HG23 ILE A 61 -1.466 10.586 -11.033 1.00 14.41 H new ATOM 0 HD11 ILE A 61 1.190 9.828 -7.240 1.00 12.01 H new ATOM 0 HD12 ILE A 61 0.671 8.182 -7.673 1.00 12.01 H new ATOM 0 HD13 ILE A 61 1.592 9.160 -8.839 1.00 12.01 H new ATOM 986 N GLN A 62 -3.468 6.552 -8.556 1.00 2.10 N ATOM 987 CA GLN A 62 -3.636 5.486 -7.575 1.00 45.31 C ATOM 988 C GLN A 62 -2.457 4.520 -7.615 1.00 25.43 C ATOM 989 O GLN A 62 -1.753 4.422 -8.620 1.00 51.15 O ATOM 990 CB GLN A 62 -4.940 4.729 -7.831 1.00 42.33 C ATOM 991 CG GLN A 62 -5.012 4.091 -9.209 1.00 72.10 C ATOM 992 CD GLN A 62 -6.159 3.108 -9.337 1.00 71.22 C ATOM 993 OE1 GLN A 62 -6.037 1.941 -8.962 1.00 42.33 O ATOM 994 NE2 GLN A 62 -7.283 3.575 -9.869 1.00 22.42 N ATOM 0 H GLN A 62 -4.083 6.480 -9.367 1.00 2.10 H new ATOM 0 HA GLN A 62 -3.677 5.940 -6.585 1.00 45.31 H new ATOM 0 HB2 GLN A 62 -5.055 3.953 -7.074 1.00 42.33 H new ATOM 0 HB3 GLN A 62 -5.778 5.416 -7.713 1.00 42.33 H new ATOM 0 HG2 GLN A 62 -5.122 4.872 -9.962 1.00 72.10 H new ATOM 0 HG3 GLN A 62 -4.073 3.578 -9.417 1.00 72.10 H new ATOM 0 HE21 GLN A 62 -7.340 4.549 -10.166 1.00 22.42 H new ATOM 0 HE22 GLN A 62 -8.089 2.960 -9.980 1.00 22.42 H new ATOM 1003 N LYS A 63 -2.245 3.806 -6.514 1.00 14.53 N ATOM 1004 CA LYS A 63 -1.152 2.846 -6.422 1.00 33.15 C ATOM 1005 C LYS A 63 -1.246 1.807 -7.534 1.00 60.31 C ATOM 1006 O LYS A 63 -2.339 1.381 -7.907 1.00 44.32 O ATOM 1007 CB LYS A 63 -1.170 2.152 -5.058 1.00 23.32 C ATOM 1008 CG LYS A 63 -0.161 1.023 -4.937 1.00 62.21 C ATOM 1009 CD LYS A 63 0.457 0.973 -3.550 1.00 1.02 C ATOM 1010 CE LYS A 63 -0.037 -0.231 -2.762 1.00 53.43 C ATOM 1011 NZ LYS A 63 -0.123 0.058 -1.304 1.00 23.32 N ATOM 0 H LYS A 63 -2.817 3.875 -5.672 1.00 14.53 H new ATOM 0 HA LYS A 63 -0.214 3.389 -6.535 1.00 33.15 H new ATOM 0 HB2 LYS A 63 -0.971 2.890 -4.281 1.00 23.32 H new ATOM 0 HB3 LYS A 63 -2.169 1.757 -4.874 1.00 23.32 H new ATOM 0 HG2 LYS A 63 -0.649 0.073 -5.153 1.00 62.21 H new ATOM 0 HG3 LYS A 63 0.624 1.154 -5.682 1.00 62.21 H new ATOM 0 HD2 LYS A 63 1.543 0.932 -3.636 1.00 1.02 H new ATOM 0 HD3 LYS A 63 0.214 1.888 -3.009 1.00 1.02 H new ATOM 0 HE2 LYS A 63 -1.018 -0.529 -3.132 1.00 53.43 H new ATOM 0 HE3 LYS A 63 0.635 -1.073 -2.926 1.00 53.43 H new ATOM 0 HZ1 LYS A 63 -0.463 -0.787 -0.802 1.00 23.32 H new ATOM 0 HZ2 LYS A 63 0.818 0.318 -0.946 1.00 23.32 H new ATOM 0 HZ3 LYS A 63 -0.784 0.845 -1.144 1.00 23.32 H new ATOM 1025 N GLU A 64 -0.093 1.402 -8.058 1.00 73.22 N ATOM 1026 CA GLU A 64 -0.047 0.412 -9.128 1.00 33.32 C ATOM 1027 C GLU A 64 -0.390 1.047 -10.472 1.00 73.03 C ATOM 1028 O GLU A 64 -0.791 0.360 -11.411 1.00 74.43 O ATOM 1029 CB GLU A 64 -1.015 -0.736 -8.832 1.00 64.42 C ATOM 1030 CG GLU A 64 -1.030 -1.159 -7.373 1.00 1.12 C ATOM 1031 CD GLU A 64 -1.174 -2.659 -7.201 1.00 55.51 C ATOM 1032 OE1 GLU A 64 -0.168 -3.376 -7.384 1.00 14.42 O ATOM 1033 OE2 GLU A 64 -2.293 -3.115 -6.885 1.00 23.05 O ATOM 0 H GLU A 64 0.820 1.744 -7.759 1.00 73.22 H new ATOM 0 HA GLU A 64 0.968 0.018 -9.181 1.00 33.32 H new ATOM 0 HB2 GLU A 64 -2.021 -0.436 -9.125 1.00 64.42 H new ATOM 0 HB3 GLU A 64 -0.746 -1.594 -9.448 1.00 64.42 H new ATOM 0 HG2 GLU A 64 -0.108 -0.829 -6.894 1.00 1.12 H new ATOM 0 HG3 GLU A 64 -1.852 -0.658 -6.862 1.00 1.12 H new ATOM 1040 N SER A 65 -0.230 2.364 -10.556 1.00 62.20 N ATOM 1041 CA SER A 65 -0.527 3.093 -11.783 1.00 45.42 C ATOM 1042 C SER A 65 0.659 3.049 -12.742 1.00 64.30 C ATOM 1043 O SER A 65 1.816 3.046 -12.319 1.00 60.20 O ATOM 1044 CB SER A 65 -0.884 4.546 -11.464 1.00 12.30 C ATOM 1045 OG SER A 65 -2.286 4.709 -11.329 1.00 65.34 O ATOM 0 H SER A 65 0.104 2.948 -9.789 1.00 62.20 H new ATOM 0 HA SER A 65 -1.379 2.613 -12.264 1.00 45.42 H new ATOM 0 HB2 SER A 65 -0.389 4.852 -10.542 1.00 12.30 H new ATOM 0 HB3 SER A 65 -0.514 5.197 -12.256 1.00 12.30 H new ATOM 0 HG SER A 65 -2.524 4.724 -10.378 1.00 65.34 H new ATOM 1051 N THR A 66 0.364 3.014 -14.038 1.00 31.32 N ATOM 1052 CA THR A 66 1.404 2.968 -15.058 1.00 33.21 C ATOM 1053 C THR A 66 1.648 4.348 -15.656 1.00 41.43 C ATOM 1054 O THR A 66 0.705 5.075 -15.974 1.00 22.33 O ATOM 1055 CB THR A 66 1.038 1.988 -16.189 1.00 23.01 C ATOM 1056 OG1 THR A 66 2.075 1.971 -17.176 1.00 40.15 O ATOM 1057 CG2 THR A 66 -0.281 2.378 -16.838 1.00 10.31 C ATOM 0 H THR A 66 -0.587 3.017 -14.406 1.00 31.32 H new ATOM 0 HA THR A 66 2.314 2.622 -14.567 1.00 33.21 H new ATOM 0 HB THR A 66 0.931 0.993 -15.757 1.00 23.01 H new ATOM 0 HG1 THR A 66 2.924 1.724 -16.754 1.00 40.15 H new ATOM 0 HG21 THR A 66 -0.518 1.671 -17.633 1.00 10.31 H new ATOM 0 HG22 THR A 66 -1.074 2.362 -16.090 1.00 10.31 H new ATOM 0 HG23 THR A 66 -0.198 3.381 -17.257 1.00 10.31 H new ATOM 1065 N LEU A 67 2.919 4.705 -15.809 1.00 14.31 N ATOM 1066 CA LEU A 67 3.287 6.000 -16.371 1.00 4.02 C ATOM 1067 C LEU A 67 4.115 5.827 -17.640 1.00 71.24 C ATOM 1068 O LEU A 67 4.937 4.915 -17.739 1.00 12.11 O ATOM 1069 CB LEU A 67 4.072 6.819 -15.344 1.00 64.44 C ATOM 1070 CG LEU A 67 3.351 7.116 -14.029 1.00 61.33 C ATOM 1071 CD1 LEU A 67 4.099 8.177 -13.238 1.00 43.20 C ATOM 1072 CD2 LEU A 67 1.919 7.556 -14.294 1.00 52.13 C ATOM 0 H LEU A 67 3.711 4.116 -15.552 1.00 14.31 H new ATOM 0 HA LEU A 67 2.370 6.531 -16.627 1.00 4.02 H new ATOM 0 HB2 LEU A 67 4.997 6.289 -15.116 1.00 64.44 H new ATOM 0 HB3 LEU A 67 4.353 7.767 -15.803 1.00 64.44 H new ATOM 0 HG LEU A 67 3.325 6.202 -13.436 1.00 61.33 H new ATOM 0 HD11 LEU A 67 3.571 8.375 -12.305 1.00 43.20 H new ATOM 0 HD12 LEU A 67 5.106 7.823 -13.017 1.00 43.20 H new ATOM 0 HD13 LEU A 67 4.157 9.094 -13.824 1.00 43.20 H new ATOM 0 HD21 LEU A 67 1.421 7.763 -13.347 1.00 52.13 H new ATOM 0 HD22 LEU A 67 1.923 8.457 -14.907 1.00 52.13 H new ATOM 0 HD23 LEU A 67 1.386 6.763 -14.818 1.00 52.13 H new ATOM 1084 N HIS A 68 3.894 6.709 -18.610 1.00 12.22 N ATOM 1085 CA HIS A 68 4.621 6.656 -19.873 1.00 23.41 C ATOM 1086 C HIS A 68 5.798 7.627 -19.864 1.00 31.32 C ATOM 1087 O HIS A 68 5.662 8.779 -19.449 1.00 65.31 O ATOM 1088 CB HIS A 68 3.686 6.980 -21.038 1.00 63.13 C ATOM 1089 CG HIS A 68 3.706 5.951 -22.127 1.00 24.04 C ATOM 1090 ND1 HIS A 68 2.646 5.741 -22.983 1.00 65.41 N ATOM 1091 CD2 HIS A 68 4.667 5.072 -22.496 1.00 43.35 C ATOM 1092 CE1 HIS A 68 2.954 4.776 -23.832 1.00 32.14 C ATOM 1093 NE2 HIS A 68 4.175 4.354 -23.558 1.00 20.40 N ATOM 0 H HIS A 68 3.217 7.469 -18.545 1.00 12.22 H new ATOM 0 HA HIS A 68 5.008 5.645 -19.999 1.00 23.41 H new ATOM 0 HB2 HIS A 68 2.668 7.077 -20.660 1.00 63.13 H new ATOM 0 HB3 HIS A 68 3.964 7.947 -21.458 1.00 63.13 H new ATOM 0 HD2 HIS A 68 5.639 4.957 -22.040 1.00 43.35 H new ATOM 0 HE1 HIS A 68 2.316 4.397 -24.616 1.00 32.14 H new ATOM 0 HE2 HIS A 68 4.672 3.615 -24.055 1.00 20.40 H new ATOM 1101 N LEU A 69 6.952 7.155 -20.323 1.00 33.33 N ATOM 1102 CA LEU A 69 8.153 7.981 -20.367 1.00 1.21 C ATOM 1103 C LEU A 69 8.588 8.233 -21.807 1.00 22.10 C ATOM 1104 O LEU A 69 8.600 7.319 -22.632 1.00 10.11 O ATOM 1105 CB LEU A 69 9.287 7.310 -19.590 1.00 33.24 C ATOM 1106 CG LEU A 69 9.895 8.127 -18.449 1.00 54.22 C ATOM 1107 CD1 LEU A 69 10.407 9.463 -18.964 1.00 55.42 C ATOM 1108 CD2 LEU A 69 8.874 8.337 -17.340 1.00 71.41 C ATOM 0 H LEU A 69 7.081 6.205 -20.670 1.00 33.33 H new ATOM 0 HA LEU A 69 7.921 8.940 -19.903 1.00 1.21 H new ATOM 0 HB2 LEU A 69 8.914 6.372 -19.179 1.00 33.24 H new ATOM 0 HB3 LEU A 69 10.081 7.057 -20.292 1.00 33.24 H new ATOM 0 HG LEU A 69 10.738 7.571 -18.039 1.00 54.22 H new ATOM 0 HD11 LEU A 69 10.836 10.031 -18.138 1.00 55.42 H new ATOM 0 HD12 LEU A 69 11.171 9.292 -19.723 1.00 55.42 H new ATOM 0 HD13 LEU A 69 9.582 10.025 -19.401 1.00 55.42 H new ATOM 0 HD21 LEU A 69 9.324 8.920 -16.537 1.00 71.41 H new ATOM 0 HD22 LEU A 69 8.011 8.871 -17.737 1.00 71.41 H new ATOM 0 HD23 LEU A 69 8.555 7.370 -16.951 1.00 71.41 H new ATOM 1120 N VAL A 70 8.947 9.478 -22.102 1.00 44.22 N ATOM 1121 CA VAL A 70 9.387 9.850 -23.442 1.00 21.13 C ATOM 1122 C VAL A 70 10.888 9.642 -23.605 1.00 25.41 C ATOM 1123 O VAL A 70 11.639 9.658 -22.628 1.00 54.50 O ATOM 1124 CB VAL A 70 9.046 11.319 -23.757 1.00 25.41 C ATOM 1125 CG1 VAL A 70 9.989 12.256 -23.018 1.00 11.05 C ATOM 1126 CG2 VAL A 70 9.101 11.568 -25.257 1.00 24.24 C ATOM 0 H VAL A 70 8.942 10.246 -21.431 1.00 44.22 H new ATOM 0 HA VAL A 70 8.856 9.204 -24.141 1.00 21.13 H new ATOM 0 HB VAL A 70 8.031 11.520 -23.415 1.00 25.41 H new ATOM 0 HG11 VAL A 70 9.733 13.289 -23.253 1.00 11.05 H new ATOM 0 HG12 VAL A 70 9.895 12.094 -21.944 1.00 11.05 H new ATOM 0 HG13 VAL A 70 11.015 12.057 -23.327 1.00 11.05 H new ATOM 0 HG21 VAL A 70 8.858 12.611 -25.462 1.00 24.24 H new ATOM 0 HG22 VAL A 70 10.103 11.350 -25.625 1.00 24.24 H new ATOM 0 HG23 VAL A 70 8.381 10.922 -25.760 1.00 24.24 H new ATOM 1136 N LEU A 71 11.321 9.446 -24.845 1.00 65.53 N ATOM 1137 CA LEU A 71 12.735 9.234 -25.138 1.00 11.11 C ATOM 1138 C LEU A 71 13.289 10.367 -25.996 1.00 73.12 C ATOM 1139 O LEU A 71 12.536 11.084 -26.656 1.00 22.01 O ATOM 1140 CB LEU A 71 12.934 7.895 -25.850 1.00 52.13 C ATOM 1141 CG LEU A 71 12.838 7.926 -27.376 1.00 64.11 C ATOM 1142 CD1 LEU A 71 14.221 8.056 -27.995 1.00 4.41 C ATOM 1143 CD2 LEU A 71 12.137 6.678 -27.892 1.00 31.11 C ATOM 0 H LEU A 71 10.714 9.429 -25.664 1.00 65.53 H new ATOM 0 HA LEU A 71 13.278 9.220 -24.193 1.00 11.11 H new ATOM 0 HB2 LEU A 71 13.913 7.502 -25.575 1.00 52.13 H new ATOM 0 HB3 LEU A 71 12.191 7.192 -25.473 1.00 52.13 H new ATOM 0 HG LEU A 71 12.249 8.796 -27.666 1.00 64.11 H new ATOM 0 HD11 LEU A 71 14.133 8.076 -29.081 1.00 4.41 H new ATOM 0 HD12 LEU A 71 14.688 8.979 -27.651 1.00 4.41 H new ATOM 0 HD13 LEU A 71 14.835 7.206 -27.697 1.00 4.41 H new ATOM 0 HD21 LEU A 71 12.078 6.717 -28.980 1.00 31.11 H new ATOM 0 HD22 LEU A 71 12.699 5.794 -27.591 1.00 31.11 H new ATOM 0 HD23 LEU A 71 11.131 6.627 -27.475 1.00 31.11 H new ATOM 1155 N ARG A 72 14.609 10.521 -25.984 1.00 73.30 N ATOM 1156 CA ARG A 72 15.263 11.566 -26.762 1.00 24.41 C ATOM 1157 C ARG A 72 15.945 10.979 -27.995 1.00 0.22 C ATOM 1158 O ARG A 72 16.841 10.142 -27.883 1.00 22.44 O ATOM 1159 CB ARG A 72 16.290 12.304 -25.901 1.00 50.33 C ATOM 1160 CG ARG A 72 17.393 11.407 -25.364 1.00 40.13 C ATOM 1161 CD ARG A 72 17.545 11.551 -23.858 1.00 53.41 C ATOM 1162 NE ARG A 72 18.721 10.846 -23.356 1.00 43.54 N ATOM 1163 CZ ARG A 72 18.769 9.531 -23.176 1.00 52.24 C ATOM 1164 NH1 ARG A 72 17.711 8.782 -23.456 1.00 23.10 N ATOM 1165 NH2 ARG A 72 19.876 8.963 -22.716 1.00 70.12 N ATOM 0 H ARG A 72 15.246 9.935 -25.444 1.00 73.30 H new ATOM 0 HA ARG A 72 14.500 12.272 -27.091 1.00 24.41 H new ATOM 0 HB2 ARG A 72 16.739 13.103 -26.491 1.00 50.33 H new ATOM 0 HB3 ARG A 72 15.777 12.776 -25.063 1.00 50.33 H new ATOM 0 HG2 ARG A 72 17.171 10.369 -25.611 1.00 40.13 H new ATOM 0 HG3 ARG A 72 18.336 11.656 -25.851 1.00 40.13 H new ATOM 0 HD2 ARG A 72 17.619 12.608 -23.601 1.00 53.41 H new ATOM 0 HD3 ARG A 72 16.653 11.164 -23.365 1.00 53.41 H new ATOM 0 HE ARG A 72 19.552 11.394 -23.131 1.00 43.54 H new ATOM 0 HH11 ARG A 72 16.858 9.216 -23.810 1.00 23.10 H new ATOM 0 HH12 ARG A 72 17.750 7.772 -23.317 1.00 23.10 H new ATOM 0 HH21 ARG A 72 20.692 9.536 -22.500 1.00 70.12 H new ATOM 0 HH22 ARG A 72 19.912 7.953 -22.578 1.00 70.12 H new ATOM 1179 N LEU A 73 15.514 11.424 -29.170 1.00 45.11 N ATOM 1180 CA LEU A 73 16.083 10.943 -30.425 1.00 15.41 C ATOM 1181 C LEU A 73 17.373 11.685 -30.758 1.00 11.40 C ATOM 1182 O LEU A 73 17.520 12.867 -30.444 1.00 22.42 O ATOM 1183 CB LEU A 73 15.074 11.114 -31.563 1.00 3.35 C ATOM 1184 CG LEU A 73 15.564 10.725 -32.958 1.00 23.03 C ATOM 1185 CD1 LEU A 73 15.654 9.213 -33.089 1.00 74.53 C ATOM 1186 CD2 LEU A 73 14.646 11.302 -34.026 1.00 23.25 C ATOM 0 H LEU A 73 14.773 12.116 -29.280 1.00 45.11 H new ATOM 0 HA LEU A 73 16.315 9.884 -30.309 1.00 15.41 H new ATOM 0 HB2 LEU A 73 14.191 10.519 -31.331 1.00 3.35 H new ATOM 0 HB3 LEU A 73 14.758 12.157 -31.588 1.00 3.35 H new ATOM 0 HG LEU A 73 16.561 11.141 -33.102 1.00 23.03 H new ATOM 0 HD11 LEU A 73 16.004 8.955 -34.088 1.00 74.53 H new ATOM 0 HD12 LEU A 73 16.352 8.825 -32.348 1.00 74.53 H new ATOM 0 HD13 LEU A 73 14.670 8.774 -32.925 1.00 74.53 H new ATOM 0 HD21 LEU A 73 15.010 11.015 -35.012 1.00 23.25 H new ATOM 0 HD22 LEU A 73 13.636 10.916 -33.885 1.00 23.25 H new ATOM 0 HD23 LEU A 73 14.633 12.389 -33.946 1.00 23.25 H new ATOM 1198 N ARG A 74 18.304 10.985 -31.398 1.00 11.14 N ATOM 1199 CA ARG A 74 19.581 11.578 -31.775 1.00 24.24 C ATOM 1200 C ARG A 74 19.632 11.851 -33.275 1.00 4.01 C ATOM 1201 O ARG A 74 19.622 10.926 -34.085 1.00 60.45 O ATOM 1202 CB ARG A 74 20.734 10.655 -31.374 1.00 10.10 C ATOM 1203 CG ARG A 74 20.607 9.246 -31.928 1.00 74.43 C ATOM 1204 CD ARG A 74 21.709 8.939 -32.930 1.00 52.21 C ATOM 1205 NE ARG A 74 21.650 7.559 -33.403 1.00 60.15 N ATOM 1206 CZ ARG A 74 22.155 6.530 -32.732 1.00 74.32 C ATOM 1207 NH1 ARG A 74 22.752 6.724 -31.565 1.00 11.14 N ATOM 1208 NH2 ARG A 74 22.062 5.303 -33.229 1.00 32.44 N ATOM 0 H ARG A 74 18.198 10.007 -31.666 1.00 11.14 H new ATOM 0 HA ARG A 74 19.683 12.526 -31.247 1.00 24.24 H new ATOM 0 HB2 ARG A 74 21.672 11.089 -31.719 1.00 10.10 H new ATOM 0 HB3 ARG A 74 20.787 10.605 -30.286 1.00 10.10 H new ATOM 0 HG2 ARG A 74 20.648 8.527 -31.110 1.00 74.43 H new ATOM 0 HG3 ARG A 74 19.635 9.129 -32.407 1.00 74.43 H new ATOM 0 HD2 ARG A 74 21.626 9.617 -33.779 1.00 52.21 H new ATOM 0 HD3 ARG A 74 22.679 9.123 -32.469 1.00 52.21 H new ATOM 0 HE ARG A 74 21.196 7.375 -34.298 1.00 60.15 H new ATOM 0 HH11 ARG A 74 22.825 7.666 -31.180 1.00 11.14 H new ATOM 0 HH12 ARG A 74 23.139 5.932 -31.052 1.00 11.14 H new ATOM 0 HH21 ARG A 74 21.603 5.150 -34.127 1.00 32.44 H new ATOM 0 HH22 ARG A 74 22.450 4.513 -32.713 1.00 32.44 H new ATOM 1222 N GLY A 75 19.687 13.129 -33.637 1.00 51.32 N ATOM 1223 CA GLY A 75 19.738 13.502 -35.039 1.00 30.51 C ATOM 1224 C GLY A 75 18.479 14.211 -35.497 1.00 3.34 C ATOM 1225 O GLY A 75 17.384 13.655 -35.428 1.00 24.41 O ATOM 0 H GLY A 75 19.697 13.913 -32.985 1.00 51.32 H new ATOM 0 HA2 GLY A 75 20.598 14.150 -35.208 1.00 30.51 H new ATOM 0 HA3 GLY A 75 19.888 12.608 -35.644 1.00 30.51 H new ATOM 1229 N GLY A 76 18.635 15.446 -35.964 1.00 54.41 N ATOM 1230 CA GLY A 76 17.493 16.214 -36.426 1.00 32.13 C ATOM 1231 C GLY A 76 17.721 17.709 -36.326 1.00 15.24 C ATOM 1232 O GLY A 76 18.818 18.124 -35.958 1.00 3.54 O ATOM 0 H GLY A 76 19.531 15.928 -36.031 1.00 54.41 H new ATOM 0 HA2 GLY A 76 17.277 15.951 -37.462 1.00 32.13 H new ATOM 0 HA3 GLY A 76 16.615 15.943 -35.839 1.00 32.13 H new