USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 799 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 Set 1.1: A 2 THR OG1 : rot 90:sc= 0.064 USER MOD Set 1.2: A 5 GLN : amide:sc= 0.152 X(o=0.22,f=0.43) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0554) USER MOD Single : A 19 ASN : amide:sc= 0.54 K(o=0.54,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0435 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -93:sc= 0.165 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 52 GLN : amide:sc= 0.496 K(o=0.5,f=-0.0062) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= 0.351 (180deg=-0.0123) USER MOD Single : A 62 LYS NZ :NH3+ 154:sc= 0.478 (180deg=0.182) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00837 USER MOD Single : A 69 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 73 ASN : amide:sc= 0.693 K(o=0.69,f=0) USER MOD Single : A 78 HIS : +bothHN:sc= 0.475 K(o=0.47,f=-2.2) USER MOD Single : A 80 TYR OH : rot -73:sc= 0.0485 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.476 K(o=-0.48,f=-1.3) USER MOD Single : A 89 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.013) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.321 USER MOD Single : A 92 THR OG1 : rot 73:sc= 0.994 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.515 10.656 -14.748 1.00 0.00 N ATOM 2 CA MET A 1 -15.401 9.467 -14.730 1.00 0.00 C ATOM 3 C MET A 1 -15.828 9.143 -13.309 1.00 0.00 C ATOM 4 O MET A 1 -16.992 8.833 -13.059 1.00 0.00 O ATOM 5 CB MET A 1 -14.688 8.263 -15.344 1.00 0.00 C ATOM 6 CG MET A 1 -14.562 8.331 -16.856 1.00 0.00 C ATOM 7 SD MET A 1 -16.162 8.376 -17.684 1.00 0.00 S ATOM 8 CE MET A 1 -15.649 8.506 -19.394 1.00 0.00 C ATOM 0 H1 MET A 1 -14.342 10.945 -15.732 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.970 11.436 -14.233 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.610 10.422 -14.292 1.00 0.00 H new ATOM 0 HA MET A 1 -16.288 9.693 -15.321 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.692 8.182 -14.909 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.229 7.356 -15.074 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.990 9.218 -17.130 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.999 7.467 -17.209 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.529 8.544 -20.036 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.061 9.414 -19.529 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.044 7.639 -19.659 1.00 0.00 H new ATOM 18 N THR A 2 -14.882 9.212 -12.382 1.00 0.00 N ATOM 19 CA THR A 2 -15.176 8.928 -10.988 1.00 0.00 C ATOM 20 C THR A 2 -14.706 10.072 -10.080 1.00 0.00 C ATOM 21 O THR A 2 -13.543 10.125 -9.682 1.00 0.00 O ATOM 22 CB THR A 2 -14.552 7.582 -10.540 1.00 0.00 C ATOM 23 OG1 THR A 2 -14.664 7.441 -9.122 1.00 0.00 O ATOM 24 CG2 THR A 2 -13.088 7.454 -10.956 1.00 0.00 C ATOM 0 H THR A 2 -13.911 9.461 -12.570 1.00 0.00 H new ATOM 0 HA THR A 2 -16.259 8.842 -10.894 1.00 0.00 H new ATOM 0 HB THR A 2 -15.106 6.787 -11.039 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.509 6.995 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.697 6.494 -10.619 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.011 7.516 -12.042 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.510 8.260 -10.505 1.00 0.00 H new ATOM 32 N PRO A 3 -15.610 11.025 -9.763 1.00 0.00 N ATOM 33 CA PRO A 3 -15.281 12.172 -8.904 1.00 0.00 C ATOM 34 C PRO A 3 -14.894 11.756 -7.487 1.00 0.00 C ATOM 35 O PRO A 3 -14.028 12.372 -6.874 1.00 0.00 O ATOM 36 CB PRO A 3 -16.569 13.007 -8.887 1.00 0.00 C ATOM 37 CG PRO A 3 -17.651 12.074 -9.305 1.00 0.00 C ATOM 38 CD PRO A 3 -17.013 11.064 -10.217 1.00 0.00 C ATOM 0 HA PRO A 3 -14.416 12.716 -9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.762 13.412 -7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.497 13.855 -9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.099 11.587 -8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -18.449 12.610 -9.818 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -17.490 10.088 -10.130 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -17.088 11.364 -11.262 1.00 0.00 H new ATOM 46 N GLU A 4 -15.527 10.698 -6.982 1.00 0.00 N ATOM 47 CA GLU A 4 -15.262 10.210 -5.630 1.00 0.00 C ATOM 48 C GLU A 4 -13.843 9.656 -5.480 1.00 0.00 C ATOM 49 O GLU A 4 -13.158 9.964 -4.506 1.00 0.00 O ATOM 50 CB GLU A 4 -16.278 9.135 -5.247 1.00 0.00 C ATOM 51 CG GLU A 4 -16.648 9.149 -3.773 1.00 0.00 C ATOM 52 CD GLU A 4 -17.682 8.099 -3.419 1.00 0.00 C ATOM 53 OE1 GLU A 4 -18.891 8.407 -3.489 1.00 0.00 O ATOM 54 OE2 GLU A 4 -17.283 6.968 -3.071 1.00 0.00 O ATOM 0 H GLU A 4 -16.229 10.161 -7.491 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.356 11.063 -4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.181 9.272 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.873 8.156 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.751 8.985 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.032 10.134 -3.508 1.00 0.00 H new ATOM 61 N GLN A 5 -13.402 8.851 -6.443 1.00 0.00 N ATOM 62 CA GLN A 5 -12.069 8.257 -6.383 1.00 0.00 C ATOM 63 C GLN A 5 -10.981 9.290 -6.659 1.00 0.00 C ATOM 64 O GLN A 5 -9.905 9.232 -6.068 1.00 0.00 O ATOM 65 CB GLN A 5 -11.946 7.091 -7.366 1.00 0.00 C ATOM 66 CG GLN A 5 -12.677 5.837 -6.915 1.00 0.00 C ATOM 67 CD GLN A 5 -12.549 4.695 -7.905 1.00 0.00 C ATOM 68 OE1 GLN A 5 -11.624 3.887 -7.825 1.00 0.00 O ATOM 69 NE2 GLN A 5 -13.479 4.626 -8.849 1.00 0.00 N ATOM 0 H GLN A 5 -13.944 8.596 -7.269 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.930 7.880 -5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.337 7.401 -8.335 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.891 6.856 -7.508 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -12.284 5.520 -5.949 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -13.732 6.069 -6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.229 5.317 -8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.444 3.882 -9.546 1.00 0.00 H new ATOM 78 N ARG A 6 -11.267 10.235 -7.552 1.00 0.00 N ATOM 79 CA ARG A 6 -10.303 11.272 -7.915 1.00 0.00 C ATOM 80 C ARG A 6 -10.127 12.319 -6.812 1.00 0.00 C ATOM 81 O ARG A 6 -9.161 13.082 -6.824 1.00 0.00 O ATOM 82 CB ARG A 6 -10.733 11.960 -9.211 1.00 0.00 C ATOM 83 CG ARG A 6 -9.564 12.406 -10.074 1.00 0.00 C ATOM 84 CD ARG A 6 -10.033 13.099 -11.341 1.00 0.00 C ATOM 85 NE ARG A 6 -8.912 13.559 -12.156 1.00 0.00 N ATOM 86 CZ ARG A 6 -9.050 14.304 -13.249 1.00 0.00 C ATOM 87 NH1 ARG A 6 -10.257 14.677 -13.655 1.00 0.00 N ATOM 88 NH2 ARG A 6 -7.981 14.678 -13.935 1.00 0.00 N ATOM 0 H ARG A 6 -12.161 10.304 -8.039 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.342 10.778 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.360 11.278 -9.785 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.347 12.827 -8.967 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.928 13.083 -9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.955 11.541 -10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.648 12.413 -11.924 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.664 13.948 -11.078 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.969 13.294 -11.871 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.083 14.392 -13.128 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.359 15.248 -14.494 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.051 14.395 -13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.087 15.249 -14.773 1.00 0.00 H new ATOM 102 N GLU A 7 -11.059 12.366 -5.869 1.00 0.00 N ATOM 103 CA GLU A 7 -10.985 13.334 -4.778 1.00 0.00 C ATOM 104 C GLU A 7 -10.339 12.742 -3.523 1.00 0.00 C ATOM 105 O GLU A 7 -10.060 13.467 -2.569 1.00 0.00 O ATOM 106 CB GLU A 7 -12.381 13.869 -4.445 1.00 0.00 C ATOM 107 CG GLU A 7 -12.843 14.983 -5.372 1.00 0.00 C ATOM 108 CD GLU A 7 -14.212 15.521 -5.005 1.00 0.00 C ATOM 109 OE1 GLU A 7 -15.218 14.981 -5.510 1.00 0.00 O ATOM 110 OE2 GLU A 7 -14.277 16.484 -4.212 1.00 0.00 O ATOM 0 H GLU A 7 -11.871 11.750 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.353 14.154 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.096 13.048 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.385 14.236 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.118 15.797 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.866 14.611 -6.396 1.00 0.00 H new ATOM 117 N PHE A 8 -10.094 11.429 -3.514 1.00 0.00 N ATOM 118 CA PHE A 8 -9.510 10.786 -2.333 1.00 0.00 C ATOM 119 C PHE A 8 -8.192 10.055 -2.626 1.00 0.00 C ATOM 120 O PHE A 8 -7.240 10.158 -1.850 1.00 0.00 O ATOM 121 CB PHE A 8 -10.521 9.812 -1.719 1.00 0.00 C ATOM 122 CG PHE A 8 -11.616 10.500 -0.952 1.00 0.00 C ATOM 123 CD1 PHE A 8 -11.463 10.787 0.395 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.794 10.867 -1.581 1.00 0.00 C ATOM 125 CE1 PHE A 8 -12.465 11.429 1.099 1.00 0.00 C ATOM 126 CE2 PHE A 8 -13.799 11.509 -0.884 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.635 11.792 0.457 1.00 0.00 C ATOM 0 H PHE A 8 -10.286 10.801 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.274 11.583 -1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.965 9.211 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.997 9.125 -1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.551 10.506 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.929 10.648 -2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.334 11.647 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.712 11.789 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.418 12.296 1.004 1.00 0.00 H new ATOM 137 N LEU A 9 -8.136 9.327 -3.738 1.00 0.00 N ATOM 138 CA LEU A 9 -6.941 8.550 -4.092 1.00 0.00 C ATOM 139 C LEU A 9 -5.731 9.406 -4.517 1.00 0.00 C ATOM 140 O LEU A 9 -4.642 9.221 -3.976 1.00 0.00 O ATOM 141 CB LEU A 9 -7.269 7.532 -5.187 1.00 0.00 C ATOM 142 CG LEU A 9 -6.601 6.163 -5.021 1.00 0.00 C ATOM 143 CD1 LEU A 9 -7.407 5.283 -4.077 1.00 0.00 C ATOM 144 CD2 LEU A 9 -6.433 5.482 -6.370 1.00 0.00 C ATOM 0 H LEU A 9 -8.899 9.256 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.644 8.038 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.349 7.391 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.974 7.949 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.613 6.316 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.916 4.316 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.474 5.763 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.409 5.139 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.957 4.511 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.411 5.344 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.811 6.102 -7.016 1.00 0.00 H new ATOM 156 N PRO A 10 -5.876 10.345 -5.486 1.00 0.00 N ATOM 157 CA PRO A 10 -4.748 11.177 -5.953 1.00 0.00 C ATOM 158 C PRO A 10 -4.187 12.119 -4.883 1.00 0.00 C ATOM 159 O PRO A 10 -3.118 12.699 -5.067 1.00 0.00 O ATOM 160 CB PRO A 10 -5.344 11.988 -7.116 1.00 0.00 C ATOM 161 CG PRO A 10 -6.605 11.287 -7.479 1.00 0.00 C ATOM 162 CD PRO A 10 -7.113 10.679 -6.207 1.00 0.00 C ATOM 0 HA PRO A 10 -3.900 10.551 -6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.539 13.018 -6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.657 12.025 -7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.332 11.982 -7.898 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.424 10.522 -8.234 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.732 11.378 -5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.721 9.795 -6.397 1.00 0.00 H new ATOM 170 N GLU A 11 -4.899 12.262 -3.769 1.00 0.00 N ATOM 171 CA GLU A 11 -4.456 13.140 -2.689 1.00 0.00 C ATOM 172 C GLU A 11 -3.590 12.389 -1.671 1.00 0.00 C ATOM 173 O GLU A 11 -2.631 12.946 -1.137 1.00 0.00 O ATOM 174 CB GLU A 11 -5.666 13.778 -2.003 1.00 0.00 C ATOM 175 CG GLU A 11 -6.239 14.965 -2.767 1.00 0.00 C ATOM 176 CD GLU A 11 -7.162 15.813 -1.915 1.00 0.00 C ATOM 177 OE1 GLU A 11 -6.710 16.308 -0.862 1.00 0.00 O ATOM 178 OE2 GLU A 11 -8.336 15.985 -2.305 1.00 0.00 O ATOM 0 H GLU A 11 -5.782 11.784 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.839 13.926 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.444 13.024 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.378 14.104 -1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.421 15.583 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.785 14.603 -3.638 1.00 0.00 H new ATOM 185 N ILE A 12 -3.925 11.124 -1.417 1.00 0.00 N ATOM 186 CA ILE A 12 -3.170 10.306 -0.464 1.00 0.00 C ATOM 187 C ILE A 12 -1.859 9.810 -1.077 1.00 0.00 C ATOM 188 O ILE A 12 -0.877 9.597 -0.364 1.00 0.00 O ATOM 189 CB ILE A 12 -3.984 9.092 0.055 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.680 8.353 -1.089 1.00 0.00 C ATOM 191 CG2 ILE A 12 -5.008 9.543 1.085 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.970 7.089 -1.523 1.00 0.00 C ATOM 0 H ILE A 12 -4.711 10.644 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.953 10.956 0.384 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.284 8.401 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.695 8.101 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.763 9.023 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.571 8.680 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.496 10.013 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.691 10.260 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.524 6.622 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.964 7.335 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.910 6.398 -0.682 1.00 0.00 H new ATOM 204 N LEU A 13 -1.864 9.615 -2.399 1.00 0.00 N ATOM 205 CA LEU A 13 -0.691 9.130 -3.131 1.00 0.00 C ATOM 206 C LEU A 13 0.536 10.023 -2.915 1.00 0.00 C ATOM 207 O LEU A 13 1.642 9.527 -2.731 1.00 0.00 O ATOM 208 CB LEU A 13 -1.008 9.038 -4.629 1.00 0.00 C ATOM 209 CG LEU A 13 -1.601 7.702 -5.088 1.00 0.00 C ATOM 210 CD1 LEU A 13 -2.630 7.918 -6.184 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.507 6.764 -5.574 1.00 0.00 C ATOM 0 H LEU A 13 -2.678 9.788 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.451 8.141 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.706 9.835 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.092 9.223 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.096 7.243 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.038 6.956 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.435 8.549 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.156 8.404 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.952 5.822 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.019 7.221 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.197 6.576 -4.764 1.00 0.00 H new ATOM 223 N ALA A 14 0.331 11.339 -2.928 1.00 0.00 N ATOM 224 CA ALA A 14 1.423 12.295 -2.743 1.00 0.00 C ATOM 225 C ALA A 14 2.030 12.199 -1.343 1.00 0.00 C ATOM 226 O ALA A 14 3.252 12.217 -1.186 1.00 0.00 O ATOM 227 CB ALA A 14 0.926 13.709 -3.010 1.00 0.00 C ATOM 0 H ALA A 14 -0.584 11.769 -3.065 1.00 0.00 H new ATOM 0 HA ALA A 14 2.209 12.048 -3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.745 14.415 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.558 13.778 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.119 13.948 -2.317 1.00 0.00 H new ATOM 233 N GLU A 15 1.168 12.096 -0.333 1.00 0.00 N ATOM 234 CA GLU A 15 1.608 12.009 1.060 1.00 0.00 C ATOM 235 C GLU A 15 2.182 10.634 1.422 1.00 0.00 C ATOM 236 O GLU A 15 2.786 10.476 2.482 1.00 0.00 O ATOM 237 CB GLU A 15 0.444 12.326 2.002 1.00 0.00 C ATOM 238 CG GLU A 15 0.072 13.800 2.056 1.00 0.00 C ATOM 239 CD GLU A 15 -1.093 14.064 2.990 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.252 13.944 2.544 1.00 0.00 O ATOM 241 OE2 GLU A 15 -0.846 14.382 4.174 1.00 0.00 O ATOM 0 H GLU A 15 0.155 12.071 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 15 2.407 12.742 1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.429 11.753 1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.702 11.990 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.936 14.379 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.183 14.145 1.054 1.00 0.00 H new ATOM 248 N ILE A 16 2.002 9.636 0.556 1.00 0.00 N ATOM 249 CA ILE A 16 2.502 8.291 0.850 1.00 0.00 C ATOM 250 C ILE A 16 3.890 8.034 0.251 1.00 0.00 C ATOM 251 O ILE A 16 4.665 7.268 0.809 1.00 0.00 O ATOM 252 CB ILE A 16 1.517 7.181 0.390 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.821 5.869 1.122 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.583 6.973 -1.115 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.619 4.963 1.284 1.00 0.00 C ATOM 0 H ILE A 16 1.523 9.729 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 16 2.588 8.247 1.936 1.00 0.00 H new ATOM 0 HB ILE A 16 0.506 7.502 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.597 5.332 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.225 6.100 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.882 6.190 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.321 7.901 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.594 6.678 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.915 4.056 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.152 5.480 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.227 4.700 0.302 1.00 0.00 H new ATOM 267 N ILE A 17 4.219 8.678 -0.869 1.00 0.00 N ATOM 268 CA ILE A 17 5.525 8.467 -1.500 1.00 0.00 C ATOM 269 C ILE A 17 6.668 9.056 -0.663 1.00 0.00 C ATOM 270 O ILE A 17 7.793 8.556 -0.697 1.00 0.00 O ATOM 271 CB ILE A 17 5.581 9.066 -2.927 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.393 8.587 -3.761 1.00 0.00 C ATOM 273 CG2 ILE A 17 6.886 8.685 -3.618 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.025 9.523 -4.895 1.00 0.00 C ATOM 0 H ILE A 17 3.612 9.340 -1.353 1.00 0.00 H new ATOM 0 HA ILE A 17 5.655 7.387 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 17 5.533 10.151 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.623 7.605 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.529 8.464 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.907 9.115 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.728 9.068 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.957 7.600 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.174 9.116 -5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.762 10.500 -4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.874 9.627 -5.571 1.00 0.00 H new ATOM 286 N ALA A 18 6.371 10.102 0.106 1.00 0.00 N ATOM 287 CA ALA A 18 7.386 10.764 0.924 1.00 0.00 C ATOM 288 C ALA A 18 7.521 10.158 2.324 1.00 0.00 C ATOM 289 O ALA A 18 8.552 10.331 2.975 1.00 0.00 O ATOM 290 CB ALA A 18 7.069 12.248 1.026 1.00 0.00 C ATOM 0 H ALA A 18 5.438 10.509 0.180 1.00 0.00 H new ATOM 0 HA ALA A 18 8.345 10.614 0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.826 12.741 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.063 12.688 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.090 12.380 1.486 1.00 0.00 H new ATOM 296 N ASN A 19 6.491 9.455 2.789 1.00 0.00 N ATOM 297 CA ASN A 19 6.518 8.863 4.132 1.00 0.00 C ATOM 298 C ASN A 19 6.783 7.354 4.121 1.00 0.00 C ATOM 299 O ASN A 19 7.510 6.845 4.974 1.00 0.00 O ATOM 300 CB ASN A 19 5.195 9.139 4.850 1.00 0.00 C ATOM 301 CG ASN A 19 5.112 10.554 5.395 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.547 10.826 6.513 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.552 11.463 4.605 1.00 0.00 N ATOM 0 H ASN A 19 5.634 9.280 2.265 1.00 0.00 H new ATOM 0 HA ASN A 19 7.348 9.332 4.661 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.369 8.970 4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.075 8.430 5.669 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.470 12.430 4.919 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.204 11.194 3.685 1.00 0.00 H new ATOM 310 N LEU A 20 6.193 6.646 3.163 1.00 0.00 N ATOM 311 CA LEU A 20 6.344 5.193 3.070 1.00 0.00 C ATOM 312 C LEU A 20 7.748 4.773 2.649 1.00 0.00 C ATOM 313 O LEU A 20 8.400 5.437 1.845 1.00 0.00 O ATOM 314 CB LEU A 20 5.331 4.621 2.076 1.00 0.00 C ATOM 315 CG LEU A 20 5.118 3.108 2.152 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.034 2.776 3.166 1.00 0.00 C ATOM 317 CD2 LEU A 20 4.755 2.557 0.779 1.00 0.00 C ATOM 0 H LEU A 20 5.604 7.054 2.437 1.00 0.00 H new ATOM 0 HA LEU A 20 6.164 4.795 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.372 5.114 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.655 4.875 1.067 1.00 0.00 H new ATOM 0 HG LEU A 20 6.047 2.640 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.894 1.696 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.331 3.142 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.099 3.251 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.606 1.479 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.837 3.029 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.562 2.768 0.077 1.00 0.00 H new ATOM 329 N ASP A 21 8.196 3.649 3.206 1.00 0.00 N ATOM 330 CA ASP A 21 9.506 3.092 2.891 1.00 0.00 C ATOM 331 C ASP A 21 9.355 1.635 2.464 1.00 0.00 C ATOM 332 O ASP A 21 9.086 0.770 3.294 1.00 0.00 O ATOM 333 CB ASP A 21 10.442 3.192 4.099 1.00 0.00 C ATOM 334 CG ASP A 21 10.948 4.602 4.322 1.00 0.00 C ATOM 335 OD1 ASP A 21 11.973 4.969 3.709 1.00 0.00 O ATOM 336 OD2 ASP A 21 10.319 5.342 5.108 1.00 0.00 O ATOM 0 H ASP A 21 7.664 3.103 3.884 1.00 0.00 H new ATOM 0 HA ASP A 21 9.942 3.665 2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.917 2.852 4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.290 2.523 3.954 1.00 0.00 H new ATOM 341 N PRO A 22 9.527 1.349 1.155 1.00 0.00 N ATOM 342 CA PRO A 22 9.386 -0.011 0.593 1.00 0.00 C ATOM 343 C PRO A 22 10.276 -1.066 1.258 1.00 0.00 C ATOM 344 O PRO A 22 9.958 -2.249 1.232 1.00 0.00 O ATOM 345 CB PRO A 22 9.799 0.165 -0.872 1.00 0.00 C ATOM 346 CG PRO A 22 9.575 1.606 -1.167 1.00 0.00 C ATOM 347 CD PRO A 22 9.865 2.337 0.111 1.00 0.00 C ATOM 0 HA PRO A 22 8.372 -0.382 0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.843 -0.111 -1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.203 -0.469 -1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.230 1.947 -1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.551 1.783 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.909 2.643 0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.262 3.241 0.203 1.00 0.00 H new ATOM 355 N THR A 23 11.383 -0.640 1.851 1.00 0.00 N ATOM 356 CA THR A 23 12.309 -1.567 2.498 1.00 0.00 C ATOM 357 C THR A 23 11.784 -2.079 3.840 1.00 0.00 C ATOM 358 O THR A 23 11.760 -3.284 4.086 1.00 0.00 O ATOM 359 CB THR A 23 13.678 -0.900 2.730 1.00 0.00 C ATOM 360 OG1 THR A 23 13.496 0.464 3.132 1.00 0.00 O ATOM 361 CG2 THR A 23 14.526 -0.951 1.466 1.00 0.00 C ATOM 0 H THR A 23 11.664 0.339 1.899 1.00 0.00 H new ATOM 0 HA THR A 23 12.411 -2.415 1.821 1.00 0.00 H new ATOM 0 HB THR A 23 14.195 -1.446 3.519 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.370 0.881 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.488 -0.474 1.654 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.686 -1.990 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.012 -0.426 0.661 1.00 0.00 H new ATOM 369 N LYS A 24 11.351 -1.154 4.689 1.00 0.00 N ATOM 370 CA LYS A 24 10.866 -1.491 6.028 1.00 0.00 C ATOM 371 C LYS A 24 9.554 -2.282 6.026 1.00 0.00 C ATOM 372 O LYS A 24 9.337 -3.113 6.907 1.00 0.00 O ATOM 373 CB LYS A 24 10.694 -0.214 6.854 1.00 0.00 C ATOM 374 CG LYS A 24 11.060 -0.388 8.317 1.00 0.00 C ATOM 375 CD LYS A 24 10.918 0.913 9.092 1.00 0.00 C ATOM 376 CE LYS A 24 11.231 0.709 10.566 1.00 0.00 C ATOM 377 NZ LYS A 24 11.103 1.971 11.347 1.00 0.00 N ATOM 0 H LYS A 24 11.325 -0.157 4.474 1.00 0.00 H new ATOM 0 HA LYS A 24 11.620 -2.140 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.312 0.574 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.658 0.119 6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.420 -1.149 8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.086 -0.748 8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.589 1.663 8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.904 1.297 8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.557 -0.042 10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.244 0.320 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.325 1.785 12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.764 2.680 10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.130 2.330 11.270 1.00 0.00 H new ATOM 391 N ILE A 25 8.687 -2.041 5.048 1.00 0.00 N ATOM 392 CA ILE A 25 7.394 -2.731 5.007 1.00 0.00 C ATOM 393 C ILE A 25 7.456 -4.086 4.295 1.00 0.00 C ATOM 394 O ILE A 25 6.751 -5.019 4.682 1.00 0.00 O ATOM 395 CB ILE A 25 6.298 -1.867 4.340 1.00 0.00 C ATOM 396 CG1 ILE A 25 6.797 -1.278 3.022 1.00 0.00 C ATOM 397 CG2 ILE A 25 5.841 -0.759 5.281 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.704 -1.082 1.998 1.00 0.00 C ATOM 0 H ILE A 25 8.848 -1.385 4.283 1.00 0.00 H new ATOM 0 HA ILE A 25 7.137 -2.905 6.052 1.00 0.00 H new ATOM 0 HB ILE A 25 5.445 -2.510 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.275 -0.319 3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.561 -1.935 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.070 -0.162 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.437 -1.199 6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.689 -0.121 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.130 -0.661 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.241 -2.042 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.951 -0.401 2.395 1.00 0.00 H new ATOM 410 N LEU A 26 8.301 -4.201 3.273 1.00 0.00 N ATOM 411 CA LEU A 26 8.410 -5.442 2.503 1.00 0.00 C ATOM 412 C LEU A 26 9.059 -6.568 3.304 1.00 0.00 C ATOM 413 O LEU A 26 8.735 -7.739 3.105 1.00 0.00 O ATOM 414 CB LEU A 26 9.203 -5.200 1.219 1.00 0.00 C ATOM 415 CG LEU A 26 8.379 -5.207 -0.072 1.00 0.00 C ATOM 416 CD1 LEU A 26 7.673 -3.876 -0.269 1.00 0.00 C ATOM 417 CD2 LEU A 26 9.267 -5.518 -1.265 1.00 0.00 C ATOM 0 H LEU A 26 8.919 -3.453 2.958 1.00 0.00 H new ATOM 0 HA LEU A 26 7.395 -5.755 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.711 -4.239 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.977 -5.964 1.140 1.00 0.00 H new ATOM 0 HG LEU A 26 7.621 -5.986 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.094 -3.904 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.006 -3.690 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.412 -3.077 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.667 -5.519 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.047 -4.760 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.726 -6.498 -1.132 1.00 0.00 H new ATOM 429 N GLU A 27 9.963 -6.208 4.212 1.00 0.00 N ATOM 430 CA GLU A 27 10.674 -7.190 5.031 1.00 0.00 C ATOM 431 C GLU A 27 9.734 -7.995 5.934 1.00 0.00 C ATOM 432 O GLU A 27 9.897 -9.208 6.077 1.00 0.00 O ATOM 433 CB GLU A 27 11.736 -6.491 5.882 1.00 0.00 C ATOM 434 CG GLU A 27 12.975 -6.085 5.099 1.00 0.00 C ATOM 435 CD GLU A 27 14.016 -5.409 5.969 1.00 0.00 C ATOM 436 OE1 GLU A 27 13.924 -4.178 6.156 1.00 0.00 O ATOM 437 OE2 GLU A 27 14.924 -6.111 6.464 1.00 0.00 O ATOM 0 H GLU A 27 10.222 -5.240 4.401 1.00 0.00 H new ATOM 0 HA GLU A 27 11.148 -7.894 4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.298 -5.603 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.032 -7.154 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.413 -6.968 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.687 -5.411 4.293 1.00 0.00 H new ATOM 444 N GLU A 28 8.750 -7.325 6.532 1.00 0.00 N ATOM 445 CA GLU A 28 7.806 -7.992 7.429 1.00 0.00 C ATOM 446 C GLU A 28 6.803 -8.854 6.665 1.00 0.00 C ATOM 447 O GLU A 28 6.402 -9.916 7.139 1.00 0.00 O ATOM 448 CB GLU A 28 7.055 -6.966 8.282 1.00 0.00 C ATOM 449 CG GLU A 28 6.855 -7.404 9.728 1.00 0.00 C ATOM 450 CD GLU A 28 5.617 -8.263 9.918 1.00 0.00 C ATOM 451 OE1 GLU A 28 4.499 -7.755 9.692 1.00 0.00 O ATOM 452 OE2 GLU A 28 5.768 -9.444 10.293 1.00 0.00 O ATOM 0 H GLU A 28 8.586 -6.325 6.413 1.00 0.00 H new ATOM 0 HA GLU A 28 8.390 -8.646 8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.603 -6.024 8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.081 -6.774 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.732 -7.961 10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.780 -6.521 10.363 1.00 0.00 H new ATOM 459 N LEU A 29 6.411 -8.397 5.478 1.00 0.00 N ATOM 460 CA LEU A 29 5.439 -9.116 4.657 1.00 0.00 C ATOM 461 C LEU A 29 6.013 -10.409 4.074 1.00 0.00 C ATOM 462 O LEU A 29 5.290 -11.388 3.893 1.00 0.00 O ATOM 463 CB LEU A 29 4.942 -8.208 3.532 1.00 0.00 C ATOM 464 CG LEU A 29 4.163 -6.975 3.995 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.122 -5.927 2.897 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.756 -7.358 4.423 1.00 0.00 C ATOM 0 H LEU A 29 6.752 -7.530 5.062 1.00 0.00 H new ATOM 0 HA LEU A 29 4.607 -9.396 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.799 -7.879 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.306 -8.793 2.867 1.00 0.00 H new ATOM 0 HG LEU A 29 4.677 -6.549 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.564 -5.058 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.138 -5.627 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.634 -6.343 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.219 -6.467 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.231 -7.811 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.807 -8.071 5.246 1.00 0.00 H new ATOM 478 N LEU A 30 7.315 -10.410 3.795 1.00 0.00 N ATOM 479 CA LEU A 30 7.979 -11.581 3.221 1.00 0.00 C ATOM 480 C LEU A 30 8.150 -12.701 4.245 1.00 0.00 C ATOM 481 O LEU A 30 8.127 -13.882 3.892 1.00 0.00 O ATOM 482 CB LEU A 30 9.349 -11.188 2.665 1.00 0.00 C ATOM 483 CG LEU A 30 9.325 -10.534 1.285 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.526 -9.618 1.110 1.00 0.00 C ATOM 485 CD2 LEU A 30 9.297 -11.593 0.193 1.00 0.00 C ATOM 0 H LEU A 30 7.932 -9.614 3.957 1.00 0.00 H new ATOM 0 HA LEU A 30 7.343 -11.953 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.826 -10.503 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.974 -12.080 2.616 1.00 0.00 H new ATOM 0 HG LEU A 30 8.419 -9.933 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.493 -9.160 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.503 -8.839 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.444 -10.198 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.280 -11.109 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.185 -12.220 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.406 -12.210 0.307 1.00 0.00 H new ATOM 497 N ARG A 31 8.316 -12.324 5.509 1.00 0.00 N ATOM 498 CA ARG A 31 8.508 -13.293 6.586 1.00 0.00 C ATOM 499 C ARG A 31 7.215 -14.030 6.926 1.00 0.00 C ATOM 500 O ARG A 31 7.247 -15.160 7.413 1.00 0.00 O ATOM 501 CB ARG A 31 9.046 -12.586 7.828 1.00 0.00 C ATOM 502 CG ARG A 31 10.519 -12.234 7.729 1.00 0.00 C ATOM 503 CD ARG A 31 11.035 -11.622 9.019 1.00 0.00 C ATOM 504 NE ARG A 31 12.447 -11.269 8.928 1.00 0.00 N ATOM 505 CZ ARG A 31 13.210 -10.988 9.980 1.00 0.00 C ATOM 506 NH1 ARG A 31 12.700 -11.020 11.205 1.00 0.00 N ATOM 507 NH2 ARG A 31 14.487 -10.675 9.807 1.00 0.00 N ATOM 0 H ARG A 31 8.322 -11.351 5.815 1.00 0.00 H new ATOM 0 HA ARG A 31 9.229 -14.034 6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.472 -11.674 7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.890 -13.225 8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.093 -13.131 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.672 -11.535 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.453 -10.731 9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.889 -12.326 9.838 1.00 0.00 H new ATOM 0 HE ARG A 31 12.875 -11.236 8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.718 -11.261 11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.290 -10.804 12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.883 -10.650 8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.073 -10.459 10.614 1.00 0.00 H new ATOM 521 N ARG A 32 6.080 -13.385 6.668 1.00 0.00 N ATOM 522 CA ARG A 32 4.782 -13.987 6.950 1.00 0.00 C ATOM 523 C ARG A 32 4.289 -14.819 5.766 1.00 0.00 C ATOM 524 O ARG A 32 3.334 -15.586 5.894 1.00 0.00 O ATOM 525 CB ARG A 32 3.763 -12.900 7.298 1.00 0.00 C ATOM 526 CG ARG A 32 4.089 -12.166 8.591 1.00 0.00 C ATOM 527 CD ARG A 32 2.892 -11.389 9.118 1.00 0.00 C ATOM 528 NE ARG A 32 1.887 -12.265 9.717 1.00 0.00 N ATOM 529 CZ ARG A 32 0.806 -11.827 10.360 1.00 0.00 C ATOM 530 NH1 ARG A 32 0.583 -10.524 10.484 1.00 0.00 N ATOM 531 NH2 ARG A 32 -0.058 -12.693 10.872 1.00 0.00 N ATOM 0 H ARG A 32 6.034 -12.449 6.266 1.00 0.00 H new ATOM 0 HA ARG A 32 4.896 -14.655 7.804 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.716 -12.180 6.481 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.774 -13.351 7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.416 -12.884 9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.920 -11.482 8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.229 -10.665 9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.440 -10.824 8.303 1.00 0.00 H new ATOM 0 HE ARG A 32 2.022 -13.273 9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.241 -9.854 10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.246 -10.193 10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.105 -13.695 10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.886 -12.357 11.364 1.00 0.00 H new ATOM 545 N GLY A 33 4.951 -14.666 4.621 1.00 0.00 N ATOM 546 CA GLY A 33 4.575 -15.411 3.431 1.00 0.00 C ATOM 547 C GLY A 33 3.473 -14.735 2.635 1.00 0.00 C ATOM 548 O GLY A 33 2.687 -15.405 1.965 1.00 0.00 O ATOM 0 H GLY A 33 5.744 -14.037 4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.451 -15.536 2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.247 -16.409 3.722 1.00 0.00 H new ATOM 552 N LEU A 34 3.417 -13.407 2.705 1.00 0.00 N ATOM 553 CA LEU A 34 2.399 -12.642 1.985 1.00 0.00 C ATOM 554 C LEU A 34 2.901 -12.179 0.620 1.00 0.00 C ATOM 555 O LEU A 34 2.106 -11.929 -0.285 1.00 0.00 O ATOM 556 CB LEU A 34 1.973 -11.422 2.810 1.00 0.00 C ATOM 557 CG LEU A 34 0.630 -10.798 2.415 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.086 -10.258 3.642 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.833 -9.692 1.385 1.00 0.00 C ATOM 0 H LEU A 34 4.063 -12.838 3.252 1.00 0.00 H new ATOM 0 HA LEU A 34 1.545 -13.301 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.925 -11.713 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.747 -10.659 2.726 1.00 0.00 H new ATOM 0 HG LEU A 34 0.010 -11.574 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.038 -9.818 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.266 -11.071 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.532 -9.497 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.132 -9.262 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.472 -8.916 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.305 -10.107 0.494 1.00 0.00 H new ATOM 571 N LEU A 35 4.213 -12.096 0.458 1.00 0.00 N ATOM 572 CA LEU A 35 4.782 -11.621 -0.793 1.00 0.00 C ATOM 573 C LEU A 35 5.472 -12.746 -1.561 1.00 0.00 C ATOM 574 O LEU A 35 6.193 -13.558 -0.979 1.00 0.00 O ATOM 575 CB LEU A 35 5.787 -10.503 -0.511 1.00 0.00 C ATOM 576 CG LEU A 35 5.766 -9.336 -1.502 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.250 -8.061 -0.832 1.00 0.00 C ATOM 578 CD2 LEU A 35 6.624 -9.656 -2.716 1.00 0.00 C ATOM 0 H LEU A 35 4.898 -12.349 1.170 1.00 0.00 H new ATOM 0 HA LEU A 35 3.966 -11.243 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.599 -10.112 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.789 -10.932 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 35 4.739 -9.183 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.229 -7.242 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.599 -7.823 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.270 -8.203 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.599 -8.817 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.652 -9.833 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.238 -10.548 -3.210 1.00 0.00 H new ATOM 590 N THR A 36 5.243 -12.786 -2.877 1.00 0.00 N ATOM 591 CA THR A 36 5.847 -13.804 -3.731 1.00 0.00 C ATOM 592 C THR A 36 6.985 -13.213 -4.563 1.00 0.00 C ATOM 593 O THR A 36 7.039 -12.004 -4.780 1.00 0.00 O ATOM 594 CB THR A 36 4.808 -14.441 -4.679 1.00 0.00 C ATOM 595 OG1 THR A 36 4.120 -13.423 -5.413 1.00 0.00 O ATOM 596 CG2 THR A 36 3.808 -15.281 -3.898 1.00 0.00 C ATOM 0 H THR A 36 4.644 -12.124 -3.370 1.00 0.00 H new ATOM 0 HA THR A 36 6.241 -14.577 -3.071 1.00 0.00 H new ATOM 0 HB THR A 36 5.336 -15.091 -5.377 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.298 -13.177 -4.939 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.086 -15.720 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.335 -16.075 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.286 -14.650 -3.178 1.00 0.00 H new ATOM 604 N PRO A 37 7.914 -14.063 -5.040 1.00 0.00 N ATOM 605 CA PRO A 37 9.056 -13.621 -5.854 1.00 0.00 C ATOM 606 C PRO A 37 8.637 -13.000 -7.191 1.00 0.00 C ATOM 607 O PRO A 37 9.364 -12.184 -7.748 1.00 0.00 O ATOM 608 CB PRO A 37 9.856 -14.912 -6.093 1.00 0.00 C ATOM 609 CG PRO A 37 9.361 -15.880 -5.074 1.00 0.00 C ATOM 610 CD PRO A 37 7.932 -15.514 -4.813 1.00 0.00 C ATOM 0 HA PRO A 37 9.621 -12.838 -5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.698 -15.290 -7.103 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.926 -14.737 -5.981 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.441 -16.904 -5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.952 -15.820 -4.160 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.252 -16.036 -5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.630 -15.767 -3.797 1.00 0.00 H new ATOM 618 N ALA A 38 7.463 -13.387 -7.693 1.00 0.00 N ATOM 619 CA ALA A 38 6.951 -12.863 -8.960 1.00 0.00 C ATOM 620 C ALA A 38 6.550 -11.395 -8.828 1.00 0.00 C ATOM 621 O ALA A 38 6.834 -10.582 -9.707 1.00 0.00 O ATOM 622 CB ALA A 38 5.767 -13.697 -9.427 1.00 0.00 C ATOM 0 H ALA A 38 6.848 -14.063 -7.240 1.00 0.00 H new ATOM 0 HA ALA A 38 7.746 -12.926 -9.703 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.392 -13.300 -10.370 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.083 -14.731 -9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.977 -13.658 -8.677 1.00 0.00 H new ATOM 628 N GLU A 39 5.891 -11.068 -7.719 1.00 0.00 N ATOM 629 CA GLU A 39 5.452 -9.700 -7.454 1.00 0.00 C ATOM 630 C GLU A 39 6.638 -8.822 -7.063 1.00 0.00 C ATOM 631 O GLU A 39 6.710 -7.643 -7.428 1.00 0.00 O ATOM 632 CB GLU A 39 4.412 -9.693 -6.329 1.00 0.00 C ATOM 633 CG GLU A 39 3.088 -10.336 -6.710 1.00 0.00 C ATOM 634 CD GLU A 39 2.207 -10.598 -5.506 1.00 0.00 C ATOM 635 OE1 GLU A 39 2.007 -9.663 -4.700 1.00 0.00 O ATOM 636 OE2 GLU A 39 1.716 -11.738 -5.365 1.00 0.00 O ATOM 0 H GLU A 39 5.648 -11.735 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 39 5.004 -9.299 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.823 -10.215 -5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.230 -8.663 -6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.560 -9.688 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.279 -11.275 -7.229 1.00 0.00 H new ATOM 643 N LEU A 40 7.575 -9.421 -6.333 1.00 0.00 N ATOM 644 CA LEU A 40 8.762 -8.719 -5.862 1.00 0.00 C ATOM 645 C LEU A 40 9.678 -8.314 -7.008 1.00 0.00 C ATOM 646 O LEU A 40 10.057 -7.155 -7.109 1.00 0.00 O ATOM 647 CB LEU A 40 9.541 -9.589 -4.878 1.00 0.00 C ATOM 648 CG LEU A 40 10.486 -8.820 -3.946 1.00 0.00 C ATOM 649 CD1 LEU A 40 10.437 -9.386 -2.538 1.00 0.00 C ATOM 650 CD2 LEU A 40 11.911 -8.854 -4.479 1.00 0.00 C ATOM 0 H LEU A 40 7.532 -10.401 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 40 8.419 -7.812 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.831 -10.150 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.123 -10.318 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 40 10.153 -7.783 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.115 -8.824 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.422 -9.308 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.739 -10.433 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.565 -8.303 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.249 -9.888 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.941 -8.395 -5.467 1.00 0.00 H new ATOM 662 N GLN A 41 10.027 -9.276 -7.862 1.00 0.00 N ATOM 663 CA GLN A 41 10.920 -9.027 -8.993 1.00 0.00 C ATOM 664 C GLN A 41 10.396 -7.927 -9.915 1.00 0.00 C ATOM 665 O GLN A 41 11.170 -7.305 -10.635 1.00 0.00 O ATOM 666 CB GLN A 41 11.137 -10.313 -9.793 1.00 0.00 C ATOM 667 CG GLN A 41 12.116 -11.276 -9.139 1.00 0.00 C ATOM 668 CD GLN A 41 13.563 -10.947 -9.445 1.00 0.00 C ATOM 669 OE1 GLN A 41 14.110 -11.385 -10.458 1.00 0.00 O ATOM 670 NE2 GLN A 41 14.197 -10.175 -8.569 1.00 0.00 N ATOM 0 H GLN A 41 9.702 -10.240 -7.791 1.00 0.00 H new ATOM 0 HA GLN A 41 11.870 -8.687 -8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.179 -10.815 -9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.502 -10.056 -10.787 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.966 -11.261 -8.059 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.900 -12.290 -9.476 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.707 -9.833 -7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 41 15.174 -9.924 -8.723 1.00 0.00 H new ATOM 679 N GLU A 42 9.087 -7.698 -9.897 1.00 0.00 N ATOM 680 CA GLU A 42 8.491 -6.667 -10.745 1.00 0.00 C ATOM 681 C GLU A 42 8.750 -5.264 -10.191 1.00 0.00 C ATOM 682 O GLU A 42 9.341 -4.413 -10.867 1.00 0.00 O ATOM 683 CB GLU A 42 6.986 -6.900 -10.883 1.00 0.00 C ATOM 684 CG GLU A 42 6.411 -6.443 -12.215 1.00 0.00 C ATOM 685 CD GLU A 42 4.964 -6.858 -12.394 1.00 0.00 C ATOM 686 OE1 GLU A 42 4.084 -6.203 -11.799 1.00 0.00 O ATOM 687 OE2 GLU A 42 4.712 -7.835 -13.128 1.00 0.00 O ATOM 0 H GLU A 42 8.423 -8.205 -9.312 1.00 0.00 H new ATOM 0 HA GLU A 42 8.960 -6.735 -11.726 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.780 -7.963 -10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.472 -6.376 -10.077 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.486 -5.358 -12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.008 -6.858 -13.027 1.00 0.00 H new ATOM 694 N VAL A 43 8.335 -5.039 -8.943 1.00 0.00 N ATOM 695 CA VAL A 43 8.509 -3.736 -8.309 1.00 0.00 C ATOM 696 C VAL A 43 9.976 -3.491 -7.933 1.00 0.00 C ATOM 697 O VAL A 43 10.418 -2.350 -7.839 1.00 0.00 O ATOM 698 CB VAL A 43 7.579 -3.569 -7.075 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.748 -4.714 -6.093 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.804 -2.231 -6.383 1.00 0.00 C ATOM 0 H VAL A 43 7.879 -5.738 -8.357 1.00 0.00 H new ATOM 0 HA VAL A 43 8.221 -2.980 -9.040 1.00 0.00 H new ATOM 0 HB VAL A 43 6.553 -3.589 -7.443 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.083 -4.565 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.502 -5.655 -6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.780 -4.746 -5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.137 -2.149 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.839 -2.165 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.598 -1.421 -7.082 1.00 0.00 H new ATOM 710 N LEU A 44 10.738 -4.563 -7.752 1.00 0.00 N ATOM 711 CA LEU A 44 12.150 -4.433 -7.411 1.00 0.00 C ATOM 712 C LEU A 44 12.969 -4.097 -8.650 1.00 0.00 C ATOM 713 O LEU A 44 14.030 -3.477 -8.555 1.00 0.00 O ATOM 714 CB LEU A 44 12.679 -5.713 -6.768 1.00 0.00 C ATOM 715 CG LEU A 44 13.993 -5.550 -6.007 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.728 -5.122 -4.573 1.00 0.00 C ATOM 717 CD2 LEU A 44 14.790 -6.844 -6.045 1.00 0.00 C ATOM 0 H LEU A 44 10.406 -5.524 -7.835 1.00 0.00 H new ATOM 0 HA LEU A 44 12.246 -3.620 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.924 -6.098 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.816 -6.464 -7.546 1.00 0.00 H new ATOM 0 HG LEU A 44 14.581 -4.771 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.675 -5.011 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.197 -4.170 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.122 -5.878 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.724 -6.712 -5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.209 -7.643 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.009 -7.106 -7.080 1.00 0.00 H new ATOM 729 N ASP A 45 12.468 -4.515 -9.812 1.00 0.00 N ATOM 730 CA ASP A 45 13.139 -4.248 -11.077 1.00 0.00 C ATOM 731 C ASP A 45 13.072 -2.766 -11.416 1.00 0.00 C ATOM 732 O ASP A 45 14.073 -2.176 -11.825 1.00 0.00 O ATOM 733 CB ASP A 45 12.509 -5.065 -12.205 1.00 0.00 C ATOM 734 CG ASP A 45 13.489 -5.354 -13.326 1.00 0.00 C ATOM 735 OD1 ASP A 45 14.233 -6.351 -13.222 1.00 0.00 O ATOM 736 OD2 ASP A 45 13.512 -4.581 -14.308 1.00 0.00 O ATOM 0 H ASP A 45 11.598 -5.040 -9.900 1.00 0.00 H new ATOM 0 HA ASP A 45 14.184 -4.540 -10.972 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.134 -6.006 -11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.651 -4.525 -12.606 1.00 0.00 H new ATOM 741 N LEU A 46 11.897 -2.159 -11.240 1.00 0.00 N ATOM 742 CA LEU A 46 11.747 -0.736 -11.541 1.00 0.00 C ATOM 743 C LEU A 46 12.470 0.121 -10.507 1.00 0.00 C ATOM 744 O LEU A 46 12.424 -0.155 -9.308 1.00 0.00 O ATOM 745 CB LEU A 46 10.273 -0.308 -11.627 1.00 0.00 C ATOM 746 CG LEU A 46 9.305 -1.007 -10.669 1.00 0.00 C ATOM 747 CD1 LEU A 46 9.003 -0.116 -9.477 1.00 0.00 C ATOM 748 CD2 LEU A 46 8.017 -1.373 -11.386 1.00 0.00 C ATOM 0 H LEU A 46 11.053 -2.619 -10.898 1.00 0.00 H new ATOM 0 HA LEU A 46 12.199 -0.579 -12.520 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.218 0.765 -11.446 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.927 -0.477 -12.647 1.00 0.00 H new ATOM 0 HG LEU A 46 9.778 -1.922 -10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.313 -0.628 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.928 0.107 -8.946 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.550 0.813 -9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.341 -1.869 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.544 -0.469 -11.769 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.240 -2.044 -12.215 1.00 0.00 H new ATOM 760 N LYS A 47 13.142 1.157 -10.990 1.00 0.00 N ATOM 761 CA LYS A 47 13.870 2.070 -10.123 1.00 0.00 C ATOM 762 C LYS A 47 13.108 3.380 -9.995 1.00 0.00 C ATOM 763 O LYS A 47 13.630 4.367 -9.482 1.00 0.00 O ATOM 764 CB LYS A 47 15.268 2.334 -10.683 1.00 0.00 C ATOM 765 CG LYS A 47 16.231 1.178 -10.481 1.00 0.00 C ATOM 766 CD LYS A 47 17.606 1.500 -11.040 1.00 0.00 C ATOM 767 CE LYS A 47 18.561 0.326 -10.885 1.00 0.00 C ATOM 768 NZ LYS A 47 19.032 0.172 -9.481 1.00 0.00 N ATOM 0 H LYS A 47 13.197 1.386 -11.982 1.00 0.00 H new ATOM 0 HA LYS A 47 13.968 1.614 -9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.189 2.548 -11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.678 3.225 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 47 16.312 0.951 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.838 0.285 -10.968 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.519 1.762 -12.094 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.013 2.371 -10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.064 -0.590 -11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.419 0.468 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.680 -0.639 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.529 1.036 -9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.216 0.011 -8.857 1.00 0.00 H new ATOM 782 N THR A 48 11.868 3.374 -10.474 1.00 0.00 N ATOM 783 CA THR A 48 11.018 4.557 -10.431 1.00 0.00 C ATOM 784 C THR A 48 10.269 4.645 -9.099 1.00 0.00 C ATOM 785 O THR A 48 9.382 3.841 -8.830 1.00 0.00 O ATOM 786 CB THR A 48 10.015 4.539 -11.602 1.00 0.00 C ATOM 787 OG1 THR A 48 9.633 3.186 -11.890 1.00 0.00 O ATOM 788 CG2 THR A 48 10.635 5.169 -12.842 1.00 0.00 C ATOM 0 H THR A 48 11.428 2.557 -10.899 1.00 0.00 H new ATOM 0 HA THR A 48 11.656 5.436 -10.524 1.00 0.00 H new ATOM 0 HB THR A 48 9.134 5.115 -11.318 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.994 3.178 -12.633 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.914 5.149 -13.660 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.910 6.201 -12.627 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.525 4.609 -13.129 1.00 0.00 H new ATOM 796 N PRO A 49 10.624 5.636 -8.255 1.00 0.00 N ATOM 797 CA PRO A 49 10.010 5.835 -6.926 1.00 0.00 C ATOM 798 C PRO A 49 8.490 5.990 -6.978 1.00 0.00 C ATOM 799 O PRO A 49 7.778 5.465 -6.120 1.00 0.00 O ATOM 800 CB PRO A 49 10.658 7.133 -6.427 1.00 0.00 C ATOM 801 CG PRO A 49 11.929 7.248 -7.192 1.00 0.00 C ATOM 802 CD PRO A 49 11.654 6.652 -8.539 1.00 0.00 C ATOM 0 HA PRO A 49 10.176 4.973 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.011 7.991 -6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.845 7.093 -5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.238 8.289 -7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.737 6.718 -6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.296 7.401 -9.245 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.550 6.207 -8.973 1.00 0.00 H new ATOM 810 N GLU A 50 8.005 6.717 -7.981 1.00 0.00 N ATOM 811 CA GLU A 50 6.571 6.934 -8.150 1.00 0.00 C ATOM 812 C GLU A 50 5.848 5.619 -8.435 1.00 0.00 C ATOM 813 O GLU A 50 4.757 5.377 -7.922 1.00 0.00 O ATOM 814 CB GLU A 50 6.316 7.918 -9.292 1.00 0.00 C ATOM 815 CG GLU A 50 6.634 9.363 -8.945 1.00 0.00 C ATOM 816 CD GLU A 50 6.348 10.305 -10.097 1.00 0.00 C ATOM 817 OE1 GLU A 50 5.204 10.795 -10.193 1.00 0.00 O ATOM 818 OE2 GLU A 50 7.268 10.547 -10.907 1.00 0.00 O ATOM 0 H GLU A 50 8.585 7.166 -8.690 1.00 0.00 H new ATOM 0 HA GLU A 50 6.182 7.350 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.914 7.622 -10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.270 7.849 -9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.047 9.664 -8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.684 9.445 -8.663 1.00 0.00 H new ATOM 825 N GLU A 51 6.474 4.772 -9.252 1.00 0.00 N ATOM 826 CA GLU A 51 5.893 3.482 -9.615 1.00 0.00 C ATOM 827 C GLU A 51 5.954 2.496 -8.447 1.00 0.00 C ATOM 828 O GLU A 51 5.068 1.659 -8.304 1.00 0.00 O ATOM 829 CB GLU A 51 6.616 2.896 -10.831 1.00 0.00 C ATOM 830 CG GLU A 51 5.810 1.846 -11.581 1.00 0.00 C ATOM 831 CD GLU A 51 6.186 1.760 -13.048 1.00 0.00 C ATOM 832 OE1 GLU A 51 7.359 1.443 -13.343 1.00 0.00 O ATOM 833 OE2 GLU A 51 5.310 2.007 -13.901 1.00 0.00 O ATOM 0 H GLU A 51 7.384 4.957 -9.674 1.00 0.00 H new ATOM 0 HA GLU A 51 4.845 3.648 -9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.867 3.705 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.556 2.452 -10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.963 0.873 -11.113 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.749 2.078 -11.495 1.00 0.00 H new ATOM 840 N GLN A 52 7.002 2.597 -7.622 1.00 0.00 N ATOM 841 CA GLN A 52 7.172 1.710 -6.466 1.00 0.00 C ATOM 842 C GLN A 52 5.985 1.810 -5.510 1.00 0.00 C ATOM 843 O GLN A 52 5.380 0.798 -5.148 1.00 0.00 O ATOM 844 CB GLN A 52 8.471 2.046 -5.724 1.00 0.00 C ATOM 845 CG GLN A 52 9.718 1.841 -6.567 1.00 0.00 C ATOM 846 CD GLN A 52 10.806 1.081 -5.841 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.495 1.627 -4.980 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.971 -0.186 -6.192 1.00 0.00 N ATOM 0 H GLN A 52 7.746 3.285 -7.734 1.00 0.00 H new ATOM 0 HA GLN A 52 7.225 0.686 -6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.433 3.083 -5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.540 1.427 -4.830 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.451 1.302 -7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.105 2.812 -6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.376 -0.598 -6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.693 -0.750 -5.743 1.00 0.00 H new ATOM 857 N ALA A 53 5.658 3.036 -5.113 1.00 0.00 N ATOM 858 CA ALA A 53 4.541 3.283 -4.211 1.00 0.00 C ATOM 859 C ALA A 53 3.226 2.841 -4.845 1.00 0.00 C ATOM 860 O ALA A 53 2.387 2.229 -4.187 1.00 0.00 O ATOM 861 CB ALA A 53 4.483 4.756 -3.838 1.00 0.00 C ATOM 0 H ALA A 53 6.155 3.878 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 53 4.694 2.698 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.644 4.928 -3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.411 5.043 -3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.352 5.355 -4.739 1.00 0.00 H new ATOM 867 N LYS A 54 3.073 3.136 -6.138 1.00 0.00 N ATOM 868 CA LYS A 54 1.869 2.777 -6.884 1.00 0.00 C ATOM 869 C LYS A 54 1.730 1.260 -7.026 1.00 0.00 C ATOM 870 O LYS A 54 0.622 0.749 -7.162 1.00 0.00 O ATOM 871 CB LYS A 54 1.892 3.431 -8.267 1.00 0.00 C ATOM 872 CG LYS A 54 1.591 4.921 -8.237 1.00 0.00 C ATOM 873 CD LYS A 54 1.662 5.537 -9.626 1.00 0.00 C ATOM 874 CE LYS A 54 1.458 7.044 -9.580 1.00 0.00 C ATOM 875 NZ LYS A 54 1.519 7.654 -10.938 1.00 0.00 N ATOM 0 H LYS A 54 3.775 3.626 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 54 1.008 3.143 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.872 3.275 -8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.164 2.934 -8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.598 5.083 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.301 5.423 -7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.630 5.314 -10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.903 5.086 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.493 7.266 -9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.221 7.495 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.375 8.681 -10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.449 7.464 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.775 7.243 -11.537 1.00 0.00 H new ATOM 889 N LYS A 55 2.861 0.553 -6.992 1.00 0.00 N ATOM 890 CA LYS A 55 2.864 -0.905 -7.108 1.00 0.00 C ATOM 891 C LYS A 55 2.225 -1.542 -5.882 1.00 0.00 C ATOM 892 O LYS A 55 1.405 -2.446 -6.006 1.00 0.00 O ATOM 893 CB LYS A 55 4.294 -1.435 -7.283 1.00 0.00 C ATOM 894 CG LYS A 55 4.801 -1.371 -8.715 1.00 0.00 C ATOM 895 CD LYS A 55 4.273 -2.524 -9.553 1.00 0.00 C ATOM 896 CE LYS A 55 4.108 -2.122 -11.009 1.00 0.00 C ATOM 897 NZ LYS A 55 3.922 -3.302 -11.894 1.00 0.00 N ATOM 0 H LYS A 55 3.787 0.967 -6.885 1.00 0.00 H new ATOM 0 HA LYS A 55 2.281 -1.172 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.965 -0.861 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.333 -2.469 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.499 -0.426 -9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.891 -1.390 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.957 -3.370 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.314 -2.856 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.250 -1.457 -11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.985 -1.561 -11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.592 -3.249 -12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.095 -4.173 -11.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.949 -3.310 -12.262 1.00 0.00 H new ATOM 911 N LEU A 56 2.591 -1.050 -4.703 1.00 0.00 N ATOM 912 CA LEU A 56 2.051 -1.584 -3.457 1.00 0.00 C ATOM 913 C LEU A 56 0.584 -1.222 -3.274 1.00 0.00 C ATOM 914 O LEU A 56 -0.211 -2.062 -2.861 1.00 0.00 O ATOM 915 CB LEU A 56 2.846 -1.078 -2.266 1.00 0.00 C ATOM 916 CG LEU A 56 2.791 -1.982 -1.034 1.00 0.00 C ATOM 917 CD1 LEU A 56 4.052 -2.824 -0.933 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.592 -1.156 0.226 1.00 0.00 C ATOM 0 H LEU A 56 3.256 -0.286 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 56 2.132 -2.669 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.887 -0.957 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.476 -0.090 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 56 1.940 -2.655 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.995 -3.461 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.147 -3.446 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.921 -2.170 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.555 -1.817 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.421 -0.457 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.657 -0.601 0.153 1.00 0.00 H new ATOM 930 N ILE A 57 0.229 0.031 -3.564 1.00 0.00 N ATOM 931 CA ILE A 57 -1.157 0.477 -3.434 1.00 0.00 C ATOM 932 C ILE A 57 -2.051 -0.278 -4.420 1.00 0.00 C ATOM 933 O ILE A 57 -3.243 -0.477 -4.179 1.00 0.00 O ATOM 934 CB ILE A 57 -1.293 2.003 -3.649 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.377 2.761 -2.684 1.00 0.00 C ATOM 936 CG2 ILE A 57 -2.736 2.450 -3.450 1.00 0.00 C ATOM 937 CD1 ILE A 57 -0.017 4.150 -3.159 1.00 0.00 C ATOM 0 H ILE A 57 0.877 0.749 -3.888 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.479 0.258 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.996 2.228 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.866 2.833 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.538 2.187 -2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.808 3.526 -3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.378 1.936 -4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.055 2.208 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.633 4.628 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.501 4.084 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.925 4.741 -3.278 1.00 0.00 H new ATOM 949 N ASP A 58 -1.449 -0.720 -5.520 1.00 0.00 N ATOM 950 CA ASP A 58 -2.159 -1.473 -6.544 1.00 0.00 C ATOM 951 C ASP A 58 -2.329 -2.925 -6.116 1.00 0.00 C ATOM 952 O ASP A 58 -3.275 -3.592 -6.519 1.00 0.00 O ATOM 953 CB ASP A 58 -1.391 -1.418 -7.865 1.00 0.00 C ATOM 954 CG ASP A 58 -2.301 -1.461 -9.078 1.00 0.00 C ATOM 955 OD1 ASP A 58 -3.132 -0.540 -9.230 1.00 0.00 O ATOM 956 OD2 ASP A 58 -2.182 -2.414 -9.878 1.00 0.00 O ATOM 0 H ASP A 58 -0.462 -0.567 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.143 -1.025 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.796 -0.506 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.694 -2.255 -7.910 1.00 0.00 H new ATOM 961 N PHE A 59 -1.411 -3.403 -5.280 1.00 0.00 N ATOM 962 CA PHE A 59 -1.457 -4.784 -4.817 1.00 0.00 C ATOM 963 C PHE A 59 -2.353 -4.964 -3.592 1.00 0.00 C ATOM 964 O PHE A 59 -2.745 -6.083 -3.272 1.00 0.00 O ATOM 965 CB PHE A 59 -0.044 -5.291 -4.521 1.00 0.00 C ATOM 966 CG PHE A 59 0.606 -5.934 -5.711 1.00 0.00 C ATOM 967 CD1 PHE A 59 0.028 -7.038 -6.315 1.00 0.00 C ATOM 968 CD2 PHE A 59 1.786 -5.429 -6.231 1.00 0.00 C ATOM 969 CE1 PHE A 59 0.614 -7.625 -7.418 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.379 -6.012 -7.335 1.00 0.00 C ATOM 971 CZ PHE A 59 1.790 -7.112 -7.929 1.00 0.00 C ATOM 0 H PHE A 59 -0.632 -2.857 -4.912 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.895 -5.376 -5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.572 -4.458 -4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.085 -6.010 -3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.891 -7.444 -5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.248 -4.570 -5.768 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.153 -8.485 -7.881 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.299 -5.609 -7.732 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.249 -7.570 -8.792 1.00 0.00 H new ATOM 981 N ILE A 60 -2.692 -3.875 -2.909 1.00 0.00 N ATOM 982 CA ILE A 60 -3.546 -3.970 -1.723 1.00 0.00 C ATOM 983 C ILE A 60 -5.010 -3.670 -2.046 1.00 0.00 C ATOM 984 O ILE A 60 -5.913 -4.263 -1.459 1.00 0.00 O ATOM 985 CB ILE A 60 -3.070 -3.035 -0.582 1.00 0.00 C ATOM 986 CG1 ILE A 60 -2.804 -1.619 -1.099 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.820 -3.598 0.076 1.00 0.00 C ATOM 988 CD1 ILE A 60 -3.895 -0.629 -0.753 1.00 0.00 C ATOM 0 H ILE A 60 -2.396 -2.929 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.466 -5.002 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.867 -2.979 0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.859 -1.263 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.687 -1.653 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.498 -2.931 0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.039 -4.582 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.026 -3.686 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.636 0.352 -1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.838 -0.960 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.997 -0.564 0.330 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.244 -2.764 -2.995 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.603 -2.384 -3.369 1.00 0.00 C ATOM 1002 C LEU A 61 -7.243 -3.403 -4.311 1.00 0.00 C ATOM 1003 O LEU A 61 -8.442 -3.332 -4.587 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.614 -1.003 -4.022 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.908 -0.211 -3.826 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -7.946 0.408 -2.439 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.047 0.859 -4.897 1.00 0.00 C ATOM 0 H LEU A 61 -4.512 -2.282 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.191 -2.357 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.784 -0.421 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.435 -1.120 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.750 -0.896 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.873 0.968 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.895 -0.380 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.097 1.081 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.973 1.412 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.201 1.544 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.066 0.389 -5.880 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.450 -4.351 -4.799 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.958 -5.361 -5.723 1.00 0.00 C ATOM 1021 C LYS A 62 -7.222 -6.696 -5.039 1.00 0.00 C ATOM 1022 O LYS A 62 -7.829 -7.587 -5.629 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.972 -5.563 -6.868 1.00 0.00 C ATOM 1024 CG LYS A 62 -6.060 -4.490 -7.933 1.00 0.00 C ATOM 1025 CD LYS A 62 -5.131 -4.790 -9.093 1.00 0.00 C ATOM 1026 CE LYS A 62 -5.266 -3.753 -10.194 1.00 0.00 C ATOM 1027 NZ LYS A 62 -4.291 -3.984 -11.293 1.00 0.00 N ATOM 0 H LYS A 62 -5.460 -4.442 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.910 -4.993 -6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.959 -5.584 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.153 -6.535 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.086 -4.417 -8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.805 -3.523 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.100 -4.815 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.354 -5.779 -9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.279 -3.779 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.114 -2.758 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.665 -3.585 -12.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.389 -3.523 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.137 -5.006 -11.411 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.770 -6.839 -3.799 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.967 -8.085 -3.073 1.00 0.00 C ATOM 1043 C LEU A 63 -8.201 -8.021 -2.180 1.00 0.00 C ATOM 1044 O LEU A 63 -8.863 -6.988 -2.082 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.728 -8.428 -2.249 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.619 -9.138 -3.032 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.284 -8.982 -2.327 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.954 -10.610 -3.221 1.00 0.00 C ATOM 0 H LEU A 63 -6.270 -6.116 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.128 -8.874 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.324 -7.509 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.027 -9.061 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.544 -8.674 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.509 -9.493 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.037 -7.923 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.346 -9.417 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.154 -11.096 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.059 -11.087 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.890 -10.702 -3.773 1.00 0.00 H new ATOM 1060 N SER A 64 -8.499 -9.141 -1.531 1.00 0.00 N ATOM 1061 CA SER A 64 -9.659 -9.247 -0.656 1.00 0.00 C ATOM 1062 C SER A 64 -9.407 -8.588 0.706 1.00 0.00 C ATOM 1063 O SER A 64 -8.261 -8.341 1.083 1.00 0.00 O ATOM 1064 CB SER A 64 -10.022 -10.724 -0.477 1.00 0.00 C ATOM 1065 OG SER A 64 -8.899 -11.480 -0.058 1.00 0.00 O ATOM 0 H SER A 64 -7.947 -9.996 -1.596 1.00 0.00 H new ATOM 0 HA SER A 64 -10.490 -8.716 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.822 -10.818 0.257 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.403 -11.124 -1.417 1.00 0.00 H new ATOM 0 HG SER A 64 -9.159 -12.419 0.050 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.492 -8.283 1.450 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.412 -7.657 2.783 1.00 0.00 C ATOM 1073 C PRO A 65 -9.552 -8.444 3.783 1.00 0.00 C ATOM 1074 O PRO A 65 -9.000 -7.866 4.719 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.871 -7.620 3.247 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.676 -7.663 1.995 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.893 -8.504 1.036 1.00 0.00 C ATOM 0 HA PRO A 65 -9.933 -6.679 2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.101 -8.467 3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.080 -6.716 3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.661 -8.093 2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.834 -6.661 1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.171 -9.556 1.105 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.060 -8.197 0.004 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.459 -9.758 3.592 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.668 -10.610 4.479 1.00 0.00 C ATOM 1087 C ALA A 66 -7.166 -10.379 4.295 1.00 0.00 C ATOM 1088 O ALA A 66 -6.390 -10.506 5.242 1.00 0.00 O ATOM 1089 CB ALA A 66 -9.018 -12.071 4.240 1.00 0.00 C ATOM 0 H ALA A 66 -9.921 -10.256 2.831 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.913 -10.346 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.425 -12.700 4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.078 -12.229 4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.802 -12.332 3.204 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.765 -10.037 3.070 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.358 -9.793 2.754 1.00 0.00 C ATOM 1097 C ASP A 67 -4.879 -8.438 3.286 1.00 0.00 C ATOM 1098 O ASP A 67 -3.762 -8.326 3.795 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.135 -9.865 1.240 1.00 0.00 C ATOM 1100 CG ASP A 67 -3.810 -10.509 0.880 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -2.767 -9.833 1.006 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -3.815 -11.689 0.470 1.00 0.00 O ATOM 0 H ASP A 67 -7.398 -9.923 2.278 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.774 -10.570 3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.947 -10.431 0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.172 -8.859 0.822 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.729 -7.415 3.175 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.379 -6.067 3.637 1.00 0.00 C ATOM 1109 C VAL A 68 -5.322 -5.986 5.164 1.00 0.00 C ATOM 1110 O VAL A 68 -4.591 -5.162 5.712 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.335 -4.974 3.100 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.942 -4.568 1.688 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.787 -5.423 3.143 1.00 0.00 C ATOM 0 H VAL A 68 -6.662 -7.492 2.771 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.387 -5.873 3.230 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.242 -4.107 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.625 -3.799 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.925 -4.177 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.994 -5.437 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.425 -4.628 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.910 -6.316 2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.068 -5.648 4.172 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.128 -6.812 5.837 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.177 -6.842 7.305 1.00 0.00 C ATOM 1125 C GLN A 69 -4.781 -6.961 7.929 1.00 0.00 C ATOM 1126 O GLN A 69 -4.495 -6.324 8.943 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.052 -8.007 7.781 1.00 0.00 C ATOM 1128 CG GLN A 69 -7.765 -7.736 9.096 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.004 -6.883 8.919 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.087 -7.393 8.640 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -8.850 -5.573 9.075 1.00 0.00 N ATOM 0 H GLN A 69 -6.760 -7.474 5.387 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.609 -5.896 7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.794 -8.230 7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.431 -8.896 7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.043 -8.684 9.557 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.079 -7.237 9.781 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.933 -5.191 9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.649 -4.949 8.963 1.00 0.00 H new ATOM 1140 N ALA A 70 -3.917 -7.771 7.313 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.556 -7.974 7.806 1.00 0.00 C ATOM 1142 C ALA A 70 -1.684 -6.741 7.569 1.00 0.00 C ATOM 1143 O ALA A 70 -0.762 -6.465 8.337 1.00 0.00 O ATOM 1144 CB ALA A 70 -1.937 -9.198 7.145 1.00 0.00 C ATOM 0 H ALA A 70 -4.139 -8.298 6.468 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.609 -8.138 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.923 -9.340 7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.536 -10.079 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.908 -9.053 6.065 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.992 -6.001 6.504 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.249 -4.794 6.151 1.00 0.00 C ATOM 1152 C ARG A 71 -1.551 -3.659 7.128 1.00 0.00 C ATOM 1153 O ARG A 71 -0.716 -2.786 7.357 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.592 -4.369 4.724 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.470 -3.627 4.012 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.606 -2.124 4.179 1.00 0.00 C ATOM 1157 NE ARG A 71 0.462 -1.389 3.507 1.00 0.00 N ATOM 1158 CZ ARG A 71 0.512 -0.062 3.444 1.00 0.00 C ATOM 1159 NH1 ARG A 71 -0.431 0.665 4.025 1.00 0.00 N ATOM 1160 NH2 ARG A 71 1.511 0.539 2.816 1.00 0.00 N ATOM 0 H ARG A 71 -2.758 -6.220 5.867 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.184 -5.017 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.853 -5.255 4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.476 -3.732 4.748 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.492 -3.953 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.481 -3.879 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.569 -1.803 3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.600 -1.877 5.241 1.00 0.00 H new ATOM 0 HE ARG A 71 1.209 -1.922 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.196 0.207 4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.392 1.683 3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.246 -0.016 2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.545 1.557 2.770 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.748 -3.671 7.700 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.132 -2.649 8.663 1.00 0.00 C ATOM 1176 C ILE A 72 -2.429 -2.909 9.993 1.00 0.00 C ATOM 1177 O ILE A 72 -2.102 -1.979 10.730 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.664 -2.609 8.874 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.376 -2.315 7.553 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.042 -1.563 9.915 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.783 -2.868 7.490 1.00 0.00 C ATOM 0 H ILE A 72 -3.465 -4.372 7.515 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.828 -1.680 8.267 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.981 -3.587 9.237 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.411 -1.236 7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.792 -2.734 6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.124 -1.554 10.046 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.564 -1.805 10.864 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.709 -0.580 9.581 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.228 -2.622 6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.754 -3.951 7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.382 -2.430 8.288 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.173 -4.187 10.271 1.00 0.00 N ATOM 1194 CA ASN A 73 -1.507 -4.593 11.506 1.00 0.00 C ATOM 1195 C ASN A 73 -0.025 -4.211 11.489 1.00 0.00 C ATOM 1196 O ASN A 73 0.527 -3.814 12.515 1.00 0.00 O ATOM 1197 CB ASN A 73 -1.650 -6.101 11.717 1.00 0.00 C ATOM 1198 CG ASN A 73 -2.901 -6.465 12.495 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -2.892 -6.496 13.725 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -3.986 -6.745 11.784 1.00 0.00 N ATOM 0 H ASN A 73 -2.418 -4.961 9.654 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.988 -4.067 12.331 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.671 -6.599 10.748 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.775 -6.475 12.248 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.854 -6.997 12.256 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.952 -6.708 10.765 1.00 0.00 H new ATOM 1207 N VAL A 74 0.611 -4.332 10.322 1.00 0.00 N ATOM 1208 CA VAL A 74 2.029 -4.001 10.183 1.00 0.00 C ATOM 1209 C VAL A 74 2.258 -2.485 10.226 1.00 0.00 C ATOM 1210 O VAL A 74 3.256 -2.017 10.775 1.00 0.00 O ATOM 1211 CB VAL A 74 2.636 -4.601 8.883 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.106 -3.906 7.639 1.00 0.00 C ATOM 1213 CG2 VAL A 74 4.153 -4.535 8.914 1.00 0.00 C ATOM 0 H VAL A 74 0.167 -4.656 9.462 1.00 0.00 H new ATOM 0 HA VAL A 74 2.542 -4.450 11.034 1.00 0.00 H new ATOM 0 HB VAL A 74 2.330 -5.646 8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.555 -4.355 6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.023 -4.018 7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.360 -2.847 7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.555 -4.960 7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.470 -3.496 9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.524 -5.101 9.768 1.00 0.00 H new ATOM 1223 N LEU A 75 1.317 -1.728 9.661 1.00 0.00 N ATOM 1224 CA LEU A 75 1.412 -0.269 9.610 1.00 0.00 C ATOM 1225 C LEU A 75 1.287 0.367 10.992 1.00 0.00 C ATOM 1226 O LEU A 75 1.889 1.410 11.254 1.00 0.00 O ATOM 1227 CB LEU A 75 0.329 0.281 8.684 1.00 0.00 C ATOM 1228 CG LEU A 75 0.747 1.487 7.851 1.00 0.00 C ATOM 1229 CD1 LEU A 75 1.713 1.072 6.755 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.470 2.172 7.257 1.00 0.00 C ATOM 0 H LEU A 75 0.474 -2.105 9.229 1.00 0.00 H new ATOM 0 HA LEU A 75 2.399 -0.015 9.225 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.010 -0.514 8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.537 0.556 9.286 1.00 0.00 H new ATOM 0 HG LEU A 75 1.255 2.195 8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.999 1.947 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.602 0.628 7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.232 0.343 6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.152 3.031 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.007 1.471 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.127 2.508 8.060 1.00 0.00 H new ATOM 1242 N ARG A 76 0.512 -0.260 11.869 1.00 0.00 N ATOM 1243 CA ARG A 76 0.311 0.256 13.221 1.00 0.00 C ATOM 1244 C ARG A 76 1.575 0.132 14.076 1.00 0.00 C ATOM 1245 O ARG A 76 1.877 1.013 14.879 1.00 0.00 O ATOM 1246 CB ARG A 76 -0.846 -0.486 13.897 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.203 -0.168 13.291 1.00 0.00 C ATOM 1248 CD ARG A 76 -2.865 1.011 13.982 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.210 1.266 13.468 1.00 0.00 N ATOM 1250 CZ ARG A 76 -4.994 2.248 13.906 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.564 3.061 14.863 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.206 2.419 13.394 1.00 0.00 N ATOM 0 H ARG A 76 0.012 -1.126 11.670 1.00 0.00 H new ATOM 0 HA ARG A 76 0.071 1.316 13.135 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.669 -1.559 13.829 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.861 -0.232 14.957 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.085 0.052 12.230 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.849 -1.043 13.366 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.917 0.820 15.054 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.251 1.901 13.847 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.567 0.657 12.732 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.634 2.933 15.262 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.164 3.814 15.200 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.542 1.796 12.660 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.802 3.174 13.734 1.00 0.00 H new ATOM 1266 N ALA A 77 2.316 -0.958 13.887 1.00 0.00 N ATOM 1267 CA ALA A 77 3.530 -1.205 14.660 1.00 0.00 C ATOM 1268 C ALA A 77 4.769 -0.555 14.039 1.00 0.00 C ATOM 1269 O ALA A 77 5.808 -0.451 14.692 1.00 0.00 O ATOM 1270 CB ALA A 77 3.742 -2.702 14.821 1.00 0.00 C ATOM 0 H ALA A 77 2.096 -1.684 13.205 1.00 0.00 H new ATOM 0 HA ALA A 77 3.391 -0.744 15.638 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.649 -2.881 15.398 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.889 -3.136 15.342 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.841 -3.163 13.838 1.00 0.00 H new ATOM 1276 N HIS A 78 4.664 -0.118 12.785 1.00 0.00 N ATOM 1277 CA HIS A 78 5.799 0.509 12.102 1.00 0.00 C ATOM 1278 C HIS A 78 5.877 2.008 12.381 1.00 0.00 C ATOM 1279 O HIS A 78 6.903 2.638 12.128 1.00 0.00 O ATOM 1280 CB HIS A 78 5.727 0.254 10.594 1.00 0.00 C ATOM 1281 CG HIS A 78 6.500 -0.959 10.173 1.00 0.00 C ATOM 1282 ND1 HIS A 78 6.200 -2.231 10.610 1.00 0.00 N ATOM 1283 CD2 HIS A 78 7.580 -1.086 9.368 1.00 0.00 C ATOM 1284 CE1 HIS A 78 7.064 -3.087 10.096 1.00 0.00 C ATOM 1285 NE2 HIS A 78 7.909 -2.419 9.338 1.00 0.00 N ATOM 0 H HIS A 78 3.815 -0.184 12.224 1.00 0.00 H new ATOM 0 HA HIS A 78 6.706 0.053 12.498 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.684 0.135 10.300 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.111 1.126 10.064 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.430 -2.474 11.234 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.088 -0.288 8.847 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.076 -4.153 10.268 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.683 -2.826 8.813 1.00 0.00 H new ATOM 1294 N GLY A 79 4.793 2.577 12.899 1.00 0.00 N ATOM 1295 CA GLY A 79 4.779 3.996 13.207 1.00 0.00 C ATOM 1296 C GLY A 79 3.967 4.804 12.215 1.00 0.00 C ATOM 1297 O GLY A 79 3.821 6.017 12.367 1.00 0.00 O ATOM 0 H GLY A 79 3.926 2.083 13.111 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.372 4.142 14.207 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.803 4.370 13.222 1.00 0.00 H new ATOM 1301 N TYR A 80 3.428 4.133 11.202 1.00 0.00 N ATOM 1302 CA TYR A 80 2.626 4.798 10.181 1.00 0.00 C ATOM 1303 C TYR A 80 1.136 4.640 10.494 1.00 0.00 C ATOM 1304 O TYR A 80 0.322 4.333 9.625 1.00 0.00 O ATOM 1305 CB TYR A 80 2.979 4.238 8.799 1.00 0.00 C ATOM 1306 CG TYR A 80 4.437 4.436 8.436 1.00 0.00 C ATOM 1307 CD1 TYR A 80 4.922 5.690 8.085 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.328 3.370 8.457 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.254 5.874 7.762 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.661 3.548 8.136 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.119 4.800 7.789 1.00 0.00 C ATOM 1312 OH TYR A 80 8.445 4.976 7.466 1.00 0.00 O ATOM 0 H TYR A 80 3.532 3.127 11.066 1.00 0.00 H new ATOM 0 HA TYR A 80 2.849 5.865 10.178 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.745 3.174 8.773 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.354 4.720 8.047 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.248 6.534 8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.974 2.387 8.728 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.615 6.855 7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.340 2.709 8.157 1.00 0.00 H new ATOM 0 HH TYR A 80 8.531 5.110 6.499 1.00 0.00 H new ATOM 1322 N GLN A 81 0.814 4.865 11.765 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.550 4.764 12.291 1.00 0.00 C ATOM 1324 C GLN A 81 -1.507 5.760 11.631 1.00 0.00 C ATOM 1325 O GLN A 81 -2.668 5.433 11.383 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.538 5.002 13.802 1.00 0.00 C ATOM 1327 CG GLN A 81 0.162 3.908 14.590 1.00 0.00 C ATOM 1328 CD GLN A 81 0.330 4.266 16.054 1.00 0.00 C ATOM 1329 OE1 GLN A 81 1.348 4.832 16.453 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -0.670 3.938 16.861 1.00 0.00 N ATOM 0 H GLN A 81 1.502 5.127 12.471 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.910 3.760 12.064 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.048 5.954 14.006 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.566 5.090 14.155 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.409 2.983 14.508 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.141 3.718 14.151 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.495 3.470 16.486 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.614 4.154 17.856 1.00 0.00 H new ATOM 1339 N ALA A 82 -1.019 6.976 11.368 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.834 8.015 10.734 1.00 0.00 C ATOM 1341 C ALA A 82 -2.297 7.570 9.351 1.00 0.00 C ATOM 1342 O ALA A 82 -3.395 7.908 8.907 1.00 0.00 O ATOM 1343 CB ALA A 82 -1.046 9.315 10.641 1.00 0.00 C ATOM 0 H ALA A 82 -0.065 7.264 11.584 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.718 8.184 11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.661 10.080 10.168 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.765 9.643 11.642 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.147 9.154 10.046 1.00 0.00 H new ATOM 1349 N LEU A 83 -1.440 6.804 8.682 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.729 6.278 7.356 1.00 0.00 C ATOM 1351 C LEU A 83 -2.748 5.141 7.426 1.00 0.00 C ATOM 1352 O LEU A 83 -3.560 4.966 6.518 1.00 0.00 O ATOM 1353 CB LEU A 83 -0.432 5.781 6.717 1.00 0.00 C ATOM 1354 CG LEU A 83 0.334 6.832 5.912 1.00 0.00 C ATOM 1355 CD1 LEU A 83 1.833 6.647 6.086 1.00 0.00 C ATOM 1356 CD2 LEU A 83 -0.045 6.760 4.442 1.00 0.00 C ATOM 0 H LEU A 83 -0.527 6.532 9.046 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.157 7.075 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.220 5.400 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.665 4.942 6.062 1.00 0.00 H new ATOM 0 HG LEU A 83 0.062 7.818 6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.363 7.403 5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.092 6.750 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.120 5.655 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.510 7.515 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.197 5.771 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.114 6.942 4.333 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.707 4.387 8.527 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.602 3.248 8.733 1.00 0.00 C ATOM 1370 C ALA A 84 -5.051 3.682 8.959 1.00 0.00 C ATOM 1371 O ALA A 84 -5.969 2.886 8.789 1.00 0.00 O ATOM 1372 CB ALA A 84 -3.113 2.403 9.906 1.00 0.00 C ATOM 0 H ALA A 84 -2.056 4.548 9.296 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.584 2.650 7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.786 1.558 10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.109 2.035 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.095 3.012 10.810 1.00 0.00 H new ATOM 1378 N ASP A 85 -5.248 4.943 9.337 1.00 0.00 N ATOM 1379 CA ASP A 85 -6.591 5.468 9.583 1.00 0.00 C ATOM 1380 C ASP A 85 -7.263 5.917 8.283 1.00 0.00 C ATOM 1381 O ASP A 85 -8.489 5.876 8.162 1.00 0.00 O ATOM 1382 CB ASP A 85 -6.523 6.642 10.562 1.00 0.00 C ATOM 1383 CG ASP A 85 -7.780 6.768 11.402 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.873 6.074 12.436 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -8.671 7.559 11.023 1.00 0.00 O ATOM 0 H ASP A 85 -4.498 5.619 9.480 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.190 4.666 10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.662 6.515 11.218 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.366 7.566 10.006 1.00 0.00 H new ATOM 1390 N LYS A 86 -6.452 6.333 7.313 1.00 0.00 N ATOM 1391 CA LYS A 86 -6.966 6.809 6.031 1.00 0.00 C ATOM 1392 C LYS A 86 -7.399 5.661 5.117 1.00 0.00 C ATOM 1393 O LYS A 86 -8.477 5.714 4.522 1.00 0.00 O ATOM 1394 CB LYS A 86 -5.913 7.668 5.328 1.00 0.00 C ATOM 1395 CG LYS A 86 -5.757 9.053 5.937 1.00 0.00 C ATOM 1396 CD LYS A 86 -4.756 9.896 5.162 1.00 0.00 C ATOM 1397 CE LYS A 86 -4.594 11.280 5.770 1.00 0.00 C ATOM 1398 NZ LYS A 86 -3.616 12.110 5.012 1.00 0.00 N ATOM 0 H LYS A 86 -5.435 6.350 7.391 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.851 7.410 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.953 7.154 5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.181 7.770 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.724 9.556 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.431 8.961 6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.790 9.391 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.084 9.990 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.560 11.784 5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.265 11.185 6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.535 13.046 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.687 11.642 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.943 12.222 4.031 1.00 0.00 H new ATOM 1412 N LEU A 87 -6.566 4.625 5.004 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.887 3.488 4.143 1.00 0.00 C ATOM 1414 C LEU A 87 -7.989 2.614 4.743 1.00 0.00 C ATOM 1415 O LEU A 87 -8.757 1.995 4.007 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.639 2.639 3.857 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.767 2.297 5.069 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -5.112 0.918 5.611 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -3.297 2.362 4.692 1.00 0.00 C ATOM 0 H LEU A 87 -5.674 4.550 5.492 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.255 3.898 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.957 1.707 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.023 3.167 3.129 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.964 3.030 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.480 0.697 6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.159 0.898 5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.945 0.170 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.687 2.117 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.094 1.648 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.053 3.368 4.350 1.00 0.00 H new ATOM 1431 N ASN A 88 -8.064 2.574 6.075 1.00 0.00 N ATOM 1432 CA ASN A 88 -9.072 1.768 6.761 1.00 0.00 C ATOM 1433 C ASN A 88 -10.475 2.301 6.498 1.00 0.00 C ATOM 1434 O ASN A 88 -11.409 1.528 6.302 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.801 1.738 8.266 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.293 0.463 8.923 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -8.583 -0.539 8.969 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -10.516 0.496 9.437 1.00 0.00 N ATOM 0 H ASN A 88 -7.441 3.089 6.697 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.010 0.753 6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.730 1.842 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.285 2.594 8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.900 -0.332 9.892 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.072 1.349 9.377 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.616 3.622 6.481 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.913 4.240 6.239 1.00 0.00 C ATOM 1447 C LYS A 89 -12.349 4.052 4.790 1.00 0.00 C ATOM 1448 O LYS A 89 -13.542 4.024 4.493 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.875 5.727 6.590 1.00 0.00 C ATOM 1450 CG LYS A 89 -13.193 6.238 7.144 1.00 0.00 C ATOM 1451 CD LYS A 89 -13.127 7.711 7.504 1.00 0.00 C ATOM 1452 CE LYS A 89 -14.464 8.200 8.033 1.00 0.00 C ATOM 1453 NZ LYS A 89 -15.467 8.357 6.945 1.00 0.00 N ATOM 0 H LYS A 89 -9.853 4.282 6.631 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.642 3.747 6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.087 5.902 7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.615 6.299 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.981 6.080 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.462 5.661 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.353 7.872 8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.844 8.292 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.840 7.496 8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.326 9.155 8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.338 8.772 7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.084 8.982 6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.681 7.426 6.533 1.00 0.00 H new ATOM 1467 N TYR A 90 -11.373 3.920 3.895 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.649 3.730 2.476 1.00 0.00 C ATOM 1469 C TYR A 90 -12.200 2.331 2.198 1.00 0.00 C ATOM 1470 O TYR A 90 -13.109 2.166 1.384 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.378 3.971 1.657 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.647 4.332 0.214 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.902 5.646 -0.161 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -10.648 3.357 -0.774 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -11.149 5.976 -1.480 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -10.895 3.678 -2.094 1.00 0.00 C ATOM 1477 CZ TYR A 90 -11.145 4.989 -2.442 1.00 0.00 C ATOM 1478 OH TYR A 90 -11.391 5.314 -3.754 1.00 0.00 O ATOM 0 H TYR A 90 -10.381 3.941 4.130 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.409 4.453 2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.803 4.772 2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.760 3.074 1.689 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.907 6.422 0.591 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.452 2.329 -0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.344 7.002 -1.756 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.892 2.907 -2.850 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.351 4.504 -4.305 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.648 1.326 2.877 1.00 0.00 N ATOM 1489 CA LEU A 91 -12.084 -0.057 2.687 1.00 0.00 C ATOM 1490 C LEU A 91 -13.384 -0.347 3.438 1.00 0.00 C ATOM 1491 O LEU A 91 -14.263 -1.036 2.924 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.971 -1.029 3.103 1.00 0.00 C ATOM 1493 CG LEU A 91 -10.594 -1.051 4.584 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -11.230 -2.243 5.279 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -9.082 -1.103 4.736 1.00 0.00 C ATOM 0 H LEU A 91 -10.901 1.443 3.561 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.290 -0.203 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.274 -2.036 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.077 -0.788 2.528 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.967 -0.139 5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.950 -2.242 6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.315 -2.179 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.882 -3.165 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.823 -1.118 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.699 -2.003 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.639 -0.225 4.267 1.00 0.00 H new ATOM 1507 N THR A 92 -13.498 0.183 4.653 1.00 0.00 N ATOM 1508 CA THR A 92 -14.704 -0.009 5.464 1.00 0.00 C ATOM 1509 C THR A 92 -15.770 1.045 5.151 1.00 0.00 C ATOM 1510 O THR A 92 -16.726 1.215 5.910 1.00 0.00 O ATOM 1511 CB THR A 92 -14.404 0.009 6.981 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.100 -0.521 7.240 1.00 0.00 O ATOM 1513 CG2 THR A 92 -15.440 -0.811 7.741 1.00 0.00 C ATOM 0 H THR A 92 -12.775 0.747 5.099 1.00 0.00 H new ATOM 0 HA THR A 92 -15.085 -0.995 5.199 1.00 0.00 H new ATOM 0 HB THR A 92 -14.446 1.044 7.320 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.421 0.128 6.960 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.213 -0.787 8.807 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.432 -0.391 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.418 -1.842 7.389 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.589 1.761 4.037 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.539 2.791 3.615 1.00 0.00 C ATOM 1523 C LEU A 93 -17.959 2.234 3.567 1.00 0.00 C ATOM 1524 O LEU A 93 -18.902 2.874 4.031 1.00 0.00 O ATOM 1525 CB LEU A 93 -16.158 3.345 2.241 1.00 0.00 C ATOM 1526 CG LEU A 93 -16.647 4.768 1.958 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -15.731 5.788 2.615 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -16.731 5.015 0.459 1.00 0.00 C ATOM 0 H LEU A 93 -14.792 1.645 3.411 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.502 3.598 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -15.072 3.325 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -16.557 2.681 1.475 1.00 0.00 H new ATOM 0 HG LEU A 93 -17.645 4.879 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -16.095 6.793 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -15.720 5.626 3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -14.721 5.677 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -17.080 6.031 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -15.745 4.885 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -17.428 4.306 0.012 1.00 0.00 H new ATOM 1540 N GLU A 94 -18.096 1.035 3.009 1.00 0.00 N ATOM 1541 CA GLU A 94 -19.393 0.381 2.905 1.00 0.00 C ATOM 1542 C GLU A 94 -19.267 -1.115 3.186 1.00 0.00 C ATOM 1543 O GLU A 94 -18.449 -1.778 2.513 1.00 0.00 O ATOM 1544 CB GLU A 94 -19.999 0.615 1.516 1.00 0.00 C ATOM 1545 CG GLU A 94 -20.656 1.979 1.357 1.00 0.00 C ATOM 1546 CD GLU A 94 -21.259 2.181 -0.019 1.00 0.00 C ATOM 1547 OE1 GLU A 94 -20.527 2.627 -0.927 1.00 0.00 O ATOM 1548 OE2 GLU A 94 -22.464 1.898 -0.189 1.00 0.00 O ATOM 0 H GLU A 94 -17.321 0.496 2.621 1.00 0.00 H new ATOM 0 HA GLU A 94 -20.057 0.815 3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -19.216 0.509 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -20.739 -0.160 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.435 2.093 2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.916 2.758 1.543 1.00 0.00 H new TER 1555 GLU A 94