USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 137:sc= 1.23 USER MOD Set 1.2: A 57 SER OG : rot -88:sc= 1.18 USER MOD Set 2.1: A 22 THR OG1 : rot -36:sc= 0.491 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.3 K(o=1.8,f=-5!) USER MOD Set 3.1: A 7 THR OG1 : rot -178:sc= 0.492 USER MOD Set 3.2: A 9 THR OG1 : rot -3:sc= 0.445 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 170:sc= 1.12 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot -175:sc= 0.965 USER MOD Single : A 1 MET CE :methyl -163:sc=-0.00226 (180deg=-0.0691) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.15 (180deg=2.07) USER MOD Single : A 2 GLN : amide:sc= 0.237 K(o=0.24,f=-1) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= 1.23 (180deg=-0.184!) USER MOD Single : A 14 THR OG1 : rot 34:sc= 0.143 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.52) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-8.08e-05) USER MOD Single : A 40 GLN : amide:sc= -0.393 K(o=-0.39,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= 0.465 K(o=0.46,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.564 USER MOD Single : A 60 ASN : amide:sc= -0.0671 X(o=-0.067,f=-0.067) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 95:sc= 0.81 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0709 X(o=-0.071,f=-0.076) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.909 -6.859 -4.175 1.00 9.67 N ATOM 2 CA MET A 1 11.696 -7.330 -2.790 1.00 10.38 C ATOM 3 C MET A 1 10.324 -7.605 -2.433 1.00 9.62 C ATOM 4 O MET A 1 9.429 -7.183 -3.107 1.00 9.62 O ATOM 5 CB MET A 1 12.275 -6.305 -1.721 1.00 13.77 C ATOM 6 CG MET A 1 11.611 -4.944 -1.762 1.00 16.29 C ATOM 7 SD MET A 1 12.299 -3.801 -0.617 1.00 17.17 S ATOM 8 CE MET A 1 11.013 -2.671 -1.036 1.00 16.11 C ATOM 0 H1 MET A 1 12.916 -6.642 -4.317 1.00 9.67 H new ATOM 0 H2 MET A 1 11.618 -7.601 -4.843 1.00 9.67 H new ATOM 0 H3 MET A 1 11.343 -6.002 -4.341 1.00 9.67 H new ATOM 0 HA MET A 1 12.237 -8.276 -2.769 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.156 -6.728 -0.723 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.345 -6.183 -1.890 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.697 -4.536 -2.769 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.547 -5.060 -1.555 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.287 -1.669 -0.706 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.867 -2.670 -2.116 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.088 -2.974 -0.545 1.00 16.11 H new ATOM 20 N GLN A 2 10.073 -8.297 -1.267 1.00 9.27 N ATOM 21 CA GLN A 2 8.768 -8.715 -0.864 1.00 9.07 C ATOM 22 C GLN A 2 8.258 -7.708 0.221 1.00 8.72 C ATOM 23 O GLN A 2 8.838 -7.654 1.268 1.00 8.22 O ATOM 24 CB GLN A 2 8.808 -10.137 -0.205 1.00 14.46 C ATOM 25 CG GLN A 2 9.011 -11.305 -1.198 1.00 17.01 C ATOM 26 CD GLN A 2 7.682 -11.644 -1.860 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.746 -12.113 -1.168 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.549 -11.280 -3.164 1.00 19.49 N ATOM 0 H GLN A 2 10.806 -8.560 -0.608 1.00 9.27 H new ATOM 0 HA GLN A 2 8.121 -8.745 -1.741 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.613 -10.159 0.530 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.876 -10.297 0.337 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.747 -11.030 -1.954 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.402 -12.178 -0.675 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.349 -10.904 -3.673 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.649 -11.383 -3.633 1.00 19.49 H new ATOM 37 N ILE A 3 7.167 -6.891 -0.054 1.00 5.87 N ATOM 38 CA ILE A 3 6.334 -6.236 0.983 1.00 5.07 C ATOM 39 C ILE A 3 4.996 -6.905 1.219 1.00 4.01 C ATOM 40 O ILE A 3 4.487 -7.685 0.443 1.00 4.61 O ATOM 41 CB ILE A 3 6.134 -4.716 0.760 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.137 -4.369 -0.355 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.449 -4.003 0.571 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.604 -2.940 -0.279 1.00 10.83 C ATOM 0 H ILE A 3 6.861 -6.684 -1.005 1.00 5.87 H new ATOM 0 HA ILE A 3 6.927 -6.365 1.888 1.00 5.07 H new ATOM 0 HB ILE A 3 5.677 -4.349 1.679 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.620 -4.516 -1.321 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.298 -5.063 -0.309 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.267 -2.939 0.417 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.068 -4.141 1.457 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.963 -4.412 -0.298 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.906 -2.768 -1.098 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.091 -2.793 0.672 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.434 -2.238 -0.356 1.00 10.83 H new ATOM 56 N PHE A 4 4.432 -6.763 2.417 1.00 4.55 N ATOM 57 CA PHE A 4 3.303 -7.514 2.943 1.00 4.68 C ATOM 58 C PHE A 4 2.219 -6.416 3.169 1.00 5.30 C ATOM 59 O PHE A 4 2.468 -5.319 3.654 1.00 5.58 O ATOM 60 CB PHE A 4 3.645 -8.104 4.307 1.00 4.83 C ATOM 61 CG PHE A 4 4.889 -8.990 4.357 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.093 -9.911 3.274 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.820 -8.903 5.428 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.216 -10.764 3.361 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.956 -9.677 5.359 1.00 10.61 C ATOM 66 CZ PHE A 4 7.151 -10.638 4.398 1.00 8.90 C ATOM 0 H PHE A 4 4.777 -6.075 3.086 1.00 4.55 H new ATOM 0 HA PHE A 4 3.005 -8.328 2.282 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.778 -7.284 5.013 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.792 -8.688 4.653 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.419 -9.950 2.431 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.641 -8.250 6.269 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.357 -11.530 2.612 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.730 -9.521 6.095 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.013 -11.288 4.440 1.00 8.90 H new ATOM 76 N VAL A 5 1.020 -6.759 2.702 1.00 4.44 N ATOM 77 CA VAL A 5 -0.120 -5.838 2.863 1.00 3.87 C ATOM 78 C VAL A 5 -1.060 -6.543 3.849 1.00 4.93 C ATOM 79 O VAL A 5 -1.276 -7.751 3.790 1.00 6.84 O ATOM 80 CB VAL A 5 -0.861 -5.553 1.595 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.915 -4.473 1.789 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.132 -4.939 0.531 1.00 9.13 C ATOM 0 H VAL A 5 0.808 -7.635 2.224 1.00 4.44 H new ATOM 0 HA VAL A 5 0.243 -4.868 3.204 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.309 -6.496 1.282 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.431 -4.295 0.846 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.635 -4.798 2.541 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.435 -3.552 2.120 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.408 -4.731 -0.393 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.555 -4.013 0.920 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.935 -5.649 0.331 1.00 9.13 H new ATOM 92 N LYS A 6 -1.540 -5.777 4.878 1.00 6.04 N ATOM 93 CA LYS A 6 -2.310 -6.300 6.025 1.00 6.12 C ATOM 94 C LYS A 6 -3.708 -5.625 6.082 1.00 6.57 C ATOM 95 O LYS A 6 -3.810 -4.366 6.205 1.00 5.76 O ATOM 96 CB LYS A 6 -1.548 -6.058 7.371 1.00 7.45 C ATOM 97 CG LYS A 6 -2.073 -6.808 8.587 1.00 11.12 C ATOM 98 CD LYS A 6 -1.982 -8.372 8.595 1.00 14.54 C ATOM 99 CE LYS A 6 -0.552 -8.775 8.957 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.470 -10.238 8.945 1.00 20.55 N ATOM 0 H LYS A 6 -1.394 -4.768 4.923 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.433 -7.374 5.888 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.503 -6.330 7.226 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.572 -4.991 7.591 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.536 -6.440 9.461 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.120 -6.536 8.718 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.686 -8.788 9.315 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.252 -8.772 7.618 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.155 -8.349 8.245 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.286 -8.388 9.940 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.525 -10.531 9.021 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.006 -10.622 9.749 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.871 -10.601 8.057 1.00 20.55 H new ATOM 114 N THR A 7 -4.821 -6.365 5.935 1.00 7.41 N ATOM 115 CA THR A 7 -6.134 -5.754 5.668 1.00 7.48 C ATOM 116 C THR A 7 -6.825 -5.565 6.984 1.00 8.75 C ATOM 117 O THR A 7 -6.371 -6.130 8.018 1.00 8.58 O ATOM 118 CB THR A 7 -6.904 -6.551 4.610 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.422 -7.786 5.107 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.953 -6.881 3.420 1.00 9.17 C ATOM 0 H THR A 7 -4.837 -7.383 5.996 1.00 7.41 H new ATOM 0 HA THR A 7 -6.046 -4.766 5.217 1.00 7.48 H new ATOM 0 HB THR A 7 -7.744 -5.928 4.302 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.877 -8.265 4.383 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.498 -7.448 2.665 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.584 -5.954 2.981 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.111 -7.472 3.780 1.00 9.17 H new ATOM 128 N LEU A 8 -7.993 -4.828 7.019 1.00 9.84 N ATOM 129 CA LEU A 8 -8.887 -4.687 8.179 1.00 14.15 C ATOM 130 C LEU A 8 -9.581 -5.940 8.648 1.00 17.37 C ATOM 131 O LEU A 8 -9.964 -6.132 9.794 1.00 17.01 O ATOM 132 CB LEU A 8 -10.032 -3.636 8.043 1.00 16.63 C ATOM 133 CG LEU A 8 -9.563 -2.147 7.694 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.690 -1.137 7.796 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.357 -1.620 8.436 1.00 18.59 C ATOM 0 H LEU A 8 -8.326 -4.310 6.206 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.137 -4.363 8.900 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.720 -3.973 7.267 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.592 -3.612 8.978 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.245 -2.259 6.657 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.313 -0.145 7.548 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.485 -1.407 7.101 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.083 -1.132 8.813 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.144 -0.603 8.108 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.560 -1.621 9.507 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.496 -2.256 8.229 1.00 18.59 H new ATOM 147 N THR A 9 -9.621 -6.922 7.750 1.00 18.33 N ATOM 148 CA THR A 9 -10.023 -8.312 7.992 1.00 19.24 C ATOM 149 C THR A 9 -8.922 -9.198 8.316 1.00 19.48 C ATOM 150 O THR A 9 -9.189 -10.374 8.529 1.00 23.14 O ATOM 151 CB THR A 9 -10.825 -8.844 6.834 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.104 -8.856 5.632 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.164 -8.059 6.641 1.00 19.70 C ATOM 0 H THR A 9 -9.359 -6.763 6.777 1.00 18.33 H new ATOM 0 HA THR A 9 -10.651 -8.291 8.883 1.00 19.24 H new ATOM 0 HB THR A 9 -11.058 -9.877 7.092 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.217 -8.465 5.778 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.711 -8.475 5.795 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.770 -8.145 7.543 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.946 -7.008 6.450 1.00 19.70 H new ATOM 161 N GLY A 10 -7.655 -8.721 8.434 1.00 19.43 N ATOM 162 CA GLY A 10 -6.469 -9.512 8.796 1.00 18.74 C ATOM 163 C GLY A 10 -5.838 -10.269 7.666 1.00 17.62 C ATOM 164 O GLY A 10 -4.843 -10.907 7.906 1.00 19.74 O ATOM 0 H GLY A 10 -7.433 -7.739 8.272 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.723 -8.843 9.226 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.749 -10.221 9.576 1.00 18.74 H new ATOM 168 N LYS A 11 -6.378 -10.215 6.426 1.00 13.56 N ATOM 169 CA LYS A 11 -5.689 -10.882 5.307 1.00 11.91 C ATOM 170 C LYS A 11 -4.224 -10.460 5.143 1.00 10.18 C ATOM 171 O LYS A 11 -4.001 -9.235 5.146 1.00 9.10 O ATOM 172 CB LYS A 11 -6.461 -10.730 4.002 1.00 13.43 C ATOM 173 CG LYS A 11 -5.948 -11.648 2.891 1.00 16.69 C ATOM 174 CD LYS A 11 -6.738 -11.527 1.613 1.00 17.92 C ATOM 175 CE LYS A 11 -6.267 -12.579 0.567 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.089 -12.752 -0.672 1.00 21.93 N ATOM 0 H LYS A 11 -7.248 -9.739 6.185 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.665 -11.940 5.568 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.515 -10.943 4.183 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.398 -9.694 3.668 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.903 -11.415 2.689 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.983 -12.681 3.236 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.799 -11.666 1.822 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.623 -10.524 1.203 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.254 -12.317 0.262 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.209 -13.546 1.068 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.464 -12.963 -1.476 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.758 -13.537 -0.538 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.616 -11.876 -0.864 1.00 21.93 H new ATOM 190 N THR A 12 -3.274 -11.371 4.935 1.00 9.63 N ATOM 191 CA THR A 12 -1.865 -11.082 4.733 1.00 9.85 C ATOM 192 C THR A 12 -1.589 -11.327 3.274 1.00 11.66 C ATOM 193 O THR A 12 -1.530 -12.484 2.861 1.00 12.33 O ATOM 194 CB THR A 12 -0.888 -11.978 5.526 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.314 -11.877 6.852 1.00 10.91 O ATOM 196 CG2 THR A 12 0.606 -11.362 5.430 1.00 9.63 C ATOM 0 H THR A 12 -3.479 -12.370 4.902 1.00 9.63 H new ATOM 0 HA THR A 12 -1.698 -10.061 5.077 1.00 9.85 H new ATOM 0 HB THR A 12 -0.873 -13.002 5.152 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.691 -12.361 7.434 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.296 -11.993 5.989 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.916 -11.321 4.386 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.613 -10.356 5.850 1.00 9.63 H new ATOM 204 N ILE A 13 -1.248 -10.252 2.520 1.00 10.42 N ATOM 205 CA ILE A 13 -1.002 -10.245 1.068 1.00 11.84 C ATOM 206 C ILE A 13 0.515 -10.082 0.948 1.00 10.55 C ATOM 207 O ILE A 13 1.124 -9.324 1.693 1.00 11.92 O ATOM 208 CB ILE A 13 -1.818 -9.162 0.361 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.300 -9.310 0.731 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.578 -9.222 -1.153 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.257 -8.229 0.156 1.00 16.46 C ATOM 0 H ILE A 13 -1.133 -9.327 2.933 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.329 -11.156 0.567 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.496 -8.175 0.693 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.643 -10.288 0.392 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.385 -9.301 1.818 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.164 -8.446 -1.645 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.520 -9.063 -1.360 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.879 -10.199 -1.531 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.276 -8.435 0.482 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.953 -7.246 0.515 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.214 -8.247 -0.933 1.00 16.46 H new ATOM 223 N THR A 14 1.143 -10.751 -0.074 1.00 9.39 N ATOM 224 CA THR A 14 2.552 -10.608 -0.369 1.00 9.63 C ATOM 225 C THR A 14 2.694 -10.049 -1.752 1.00 11.20 C ATOM 226 O THR A 14 2.134 -10.648 -2.716 1.00 11.63 O ATOM 227 CB THR A 14 3.294 -11.987 -0.307 1.00 10.38 C ATOM 228 OG1 THR A 14 2.728 -13.034 -1.099 1.00 16.30 O ATOM 229 CG2 THR A 14 3.351 -12.491 1.140 1.00 11.66 C ATOM 0 H THR A 14 0.658 -11.397 -0.697 1.00 9.39 H new ATOM 0 HA THR A 14 2.996 -9.946 0.374 1.00 9.63 H new ATOM 0 HB THR A 14 4.279 -11.773 -0.721 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.342 -12.654 -1.916 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.869 -13.450 1.171 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.887 -11.769 1.756 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.338 -12.613 1.523 1.00 11.66 H new ATOM 237 N LEU A 15 3.380 -8.959 -1.934 1.00 8.29 N ATOM 238 CA LEU A 15 3.598 -8.289 -3.186 1.00 9.03 C ATOM 239 C LEU A 15 5.126 -8.201 -3.564 1.00 8.59 C ATOM 240 O LEU A 15 5.946 -7.622 -2.861 1.00 7.79 O ATOM 241 CB LEU A 15 3.141 -6.805 -3.143 1.00 11.08 C ATOM 242 CG LEU A 15 1.657 -6.495 -2.682 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.371 -4.979 -2.712 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.683 -7.144 -3.575 1.00 15.27 C ATOM 0 H LEU A 15 3.835 -8.480 -1.157 1.00 8.29 H new ATOM 0 HA LEU A 15 3.029 -8.881 -3.903 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.816 -6.267 -2.478 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.275 -6.386 -4.140 1.00 11.08 H new ATOM 0 HG LEU A 15 1.558 -6.878 -1.666 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.346 -4.796 -2.391 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.059 -4.466 -2.040 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.506 -4.603 -3.726 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.328 -6.916 -3.238 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.818 -6.774 -4.591 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.837 -8.223 -3.558 1.00 15.27 H new ATOM 256 N GLU A 16 5.571 -8.849 -4.684 1.00 11.04 N ATOM 257 CA GLU A 16 6.879 -8.531 -5.268 1.00 11.50 C ATOM 258 C GLU A 16 6.960 -7.181 -5.888 1.00 10.13 C ATOM 259 O GLU A 16 6.396 -6.870 -6.938 1.00 9.83 O ATOM 260 CB GLU A 16 7.338 -9.619 -6.227 1.00 17.22 C ATOM 261 CG GLU A 16 8.786 -9.361 -6.755 1.00 23.33 C ATOM 262 CD GLU A 16 9.960 -9.772 -5.842 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.898 -10.788 -5.100 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.983 -9.022 -5.893 1.00 28.90 O ATOM 0 H GLU A 16 5.047 -9.573 -5.177 1.00 11.04 H new ATOM 0 HA GLU A 16 7.572 -8.499 -4.427 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.303 -10.585 -5.723 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.649 -9.674 -7.070 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.897 -9.887 -7.703 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.882 -8.296 -6.968 1.00 23.33 H new ATOM 271 N VAL A 17 7.752 -6.289 -5.225 1.00 8.99 N ATOM 272 CA VAL A 17 7.803 -4.878 -5.610 1.00 8.85 C ATOM 273 C VAL A 17 9.270 -4.456 -5.596 1.00 8.04 C ATOM 274 O VAL A 17 10.086 -5.131 -4.921 1.00 8.99 O ATOM 275 CB VAL A 17 7.038 -4.016 -4.547 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.511 -4.375 -4.568 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.533 -4.100 -3.066 1.00 10.54 C ATOM 0 H VAL A 17 8.349 -6.533 -4.435 1.00 8.99 H new ATOM 0 HA VAL A 17 7.350 -4.736 -6.591 1.00 8.85 H new ATOM 0 HB VAL A 17 7.246 -2.993 -4.861 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.985 -3.773 -3.827 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.103 -4.171 -5.558 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.382 -5.432 -4.334 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.917 -3.456 -2.439 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.456 -5.129 -2.715 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.572 -3.774 -3.010 1.00 10.54 H new ATOM 287 N GLU A 18 9.660 -3.411 -6.310 1.00 7.29 N ATOM 288 CA GLU A 18 10.954 -2.772 -6.217 1.00 7.08 C ATOM 289 C GLU A 18 10.838 -1.637 -5.267 1.00 6.45 C ATOM 290 O GLU A 18 9.783 -1.149 -4.907 1.00 5.28 O ATOM 291 CB GLU A 18 11.454 -2.306 -7.663 1.00 10.28 C ATOM 292 CG GLU A 18 11.880 -3.465 -8.545 1.00 12.65 C ATOM 293 CD GLU A 18 12.294 -3.062 -9.947 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.453 -2.630 -10.745 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.550 -3.051 -10.166 1.00 14.33 O ATOM 0 H GLU A 18 9.052 -2.969 -7.000 1.00 7.29 H new ATOM 0 HA GLU A 18 11.704 -3.469 -5.844 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.654 -1.755 -8.158 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.291 -1.618 -7.547 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.712 -3.983 -8.068 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.057 -4.177 -8.612 1.00 12.65 H new ATOM 302 N PRO A 19 11.944 -1.061 -4.735 1.00 7.24 N ATOM 303 CA PRO A 19 11.855 0.196 -3.992 1.00 7.07 C ATOM 304 C PRO A 19 11.732 1.396 -4.876 1.00 6.65 C ATOM 305 O PRO A 19 11.515 2.503 -4.397 1.00 6.37 O ATOM 306 CB PRO A 19 13.204 0.224 -3.195 1.00 7.61 C ATOM 307 CG PRO A 19 14.190 -0.570 -4.027 1.00 8.16 C ATOM 308 CD PRO A 19 13.291 -1.596 -4.762 1.00 7.49 C ATOM 0 HA PRO A 19 10.964 0.237 -3.365 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.551 1.247 -3.048 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.083 -0.217 -2.205 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.730 0.067 -4.728 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.937 -1.063 -3.404 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.629 -1.742 -5.788 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.332 -2.568 -4.271 1.00 7.49 H new ATOM 316 N SER A 20 11.874 1.175 -6.163 1.00 6.80 N ATOM 317 CA SER A 20 11.747 2.282 -7.120 1.00 6.28 C ATOM 318 C SER A 20 10.270 2.324 -7.643 1.00 8.45 C ATOM 319 O SER A 20 10.013 3.053 -8.616 1.00 7.26 O ATOM 320 CB SER A 20 12.777 2.077 -8.244 1.00 8.57 C ATOM 321 OG SER A 20 12.706 0.844 -8.895 1.00 11.13 O ATOM 0 H SER A 20 12.073 0.265 -6.578 1.00 6.80 H new ATOM 0 HA SER A 20 11.956 3.246 -6.657 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.648 2.868 -8.983 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.777 2.192 -7.825 1.00 8.57 H new ATOM 0 HG SER A 20 13.393 0.802 -9.592 1.00 11.13 H new ATOM 327 N ASP A 21 9.400 1.473 -7.056 1.00 7.50 N ATOM 328 CA ASP A 21 7.989 1.362 -7.425 1.00 7.70 C ATOM 329 C ASP A 21 7.310 2.427 -6.533 1.00 7.08 C ATOM 330 O ASP A 21 7.824 2.730 -5.446 1.00 8.11 O ATOM 331 CB ASP A 21 7.336 -0.082 -7.196 1.00 11.00 C ATOM 332 CG ASP A 21 7.820 -1.000 -8.239 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.187 -0.592 -9.351 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.789 -2.246 -7.984 1.00 14.36 O ATOM 0 H ASP A 21 9.671 0.840 -6.304 1.00 7.50 H new ATOM 0 HA ASP A 21 7.859 1.513 -8.497 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.600 -0.462 -6.209 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.249 -0.013 -7.231 1.00 11.00 H new ATOM 339 N THR A 22 6.236 3.041 -6.947 1.00 5.37 N ATOM 340 CA THR A 22 5.469 3.950 -6.090 1.00 6.01 C ATOM 341 C THR A 22 4.332 3.304 -5.362 1.00 8.01 C ATOM 342 O THR A 22 3.821 2.206 -5.696 1.00 8.11 O ATOM 343 CB THR A 22 4.945 5.126 -6.965 1.00 8.92 C ATOM 344 OG1 THR A 22 3.960 4.811 -7.920 1.00 10.22 O ATOM 345 CG2 THR A 22 6.126 5.795 -7.791 1.00 9.65 C ATOM 0 H THR A 22 5.854 2.936 -7.887 1.00 5.37 H new ATOM 0 HA THR A 22 6.146 4.300 -5.310 1.00 6.01 H new ATOM 0 HB THR A 22 4.498 5.782 -6.218 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.135 3.920 -8.289 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.731 6.613 -8.393 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.878 6.181 -7.103 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.580 5.050 -8.444 1.00 9.65 H new ATOM 353 N ILE A 23 3.854 4.001 -4.308 1.00 8.32 N ATOM 354 CA ILE A 23 2.750 3.668 -3.434 1.00 9.92 C ATOM 355 C ILE A 23 1.495 3.370 -4.228 1.00 10.01 C ATOM 356 O ILE A 23 0.738 2.484 -3.869 1.00 8.71 O ATOM 357 CB ILE A 23 2.636 4.703 -2.351 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.917 4.923 -1.421 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.381 4.511 -1.499 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.411 3.594 -0.837 1.00 12.30 C ATOM 0 H ILE A 23 4.282 4.887 -4.039 1.00 8.32 H new ATOM 0 HA ILE A 23 2.933 2.732 -2.906 1.00 9.92 H new ATOM 0 HB ILE A 23 2.559 5.628 -2.923 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.715 5.388 -2.000 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.669 5.609 -0.612 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.342 5.282 -0.730 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.497 4.585 -2.132 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.408 3.529 -1.027 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.283 3.774 -0.209 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.620 3.143 -0.238 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.682 2.918 -1.648 1.00 12.30 H new ATOM 372 N GLU A 24 1.260 4.056 -5.384 1.00 9.54 N ATOM 373 CA GLU A 24 0.139 3.981 -6.301 1.00 11.81 C ATOM 374 C GLU A 24 0.159 2.627 -6.955 1.00 11.14 C ATOM 375 O GLU A 24 -0.841 1.940 -7.197 1.00 10.62 O ATOM 376 CB GLU A 24 0.208 5.112 -7.374 1.00 19.24 C ATOM 377 CG GLU A 24 -1.048 5.251 -8.328 1.00 27.76 C ATOM 378 CD GLU A 24 -0.885 6.372 -9.310 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.197 6.476 -9.931 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.858 7.171 -9.434 1.00 36.51 O ATOM 0 H GLU A 24 1.940 4.743 -5.709 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.792 4.120 -5.751 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.355 6.062 -6.861 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.090 4.944 -7.992 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.199 4.316 -8.867 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.942 5.421 -7.728 1.00 27.76 H new ATOM 387 N ASN A 25 1.403 2.076 -7.301 1.00 9.43 N ATOM 388 CA ASN A 25 1.641 0.694 -7.795 1.00 10.96 C ATOM 389 C ASN A 25 1.284 -0.400 -6.823 1.00 9.68 C ATOM 390 O ASN A 25 0.820 -1.490 -7.200 1.00 9.33 O ATOM 391 CB ASN A 25 3.073 0.496 -8.213 1.00 16.78 C ATOM 392 CG ASN A 25 3.613 1.458 -9.283 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.608 2.078 -8.959 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.005 1.563 -10.486 1.00 24.70 N ATOM 0 H ASN A 25 2.266 2.616 -7.232 1.00 9.43 H new ATOM 0 HA ASN A 25 0.966 0.607 -8.647 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.702 0.583 -7.327 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.183 -0.523 -8.584 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.379 2.195 -11.193 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.172 1.010 -10.686 1.00 24.70 H new ATOM 401 N VAL A 26 1.408 -0.132 -5.481 1.00 6.52 N ATOM 402 CA VAL A 26 0.976 -0.981 -4.362 1.00 5.53 C ATOM 403 C VAL A 26 -0.558 -1.012 -4.253 1.00 4.42 C ATOM 404 O VAL A 26 -1.161 -2.067 -4.004 1.00 3.40 O ATOM 405 CB VAL A 26 1.644 -0.539 -3.031 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.144 -1.348 -1.826 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.187 -0.687 -3.195 1.00 8.12 C ATOM 0 H VAL A 26 1.838 0.734 -5.155 1.00 6.52 H new ATOM 0 HA VAL A 26 1.307 -2.000 -4.563 1.00 5.53 H new ATOM 0 HB VAL A 26 1.376 0.498 -2.828 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.642 -0.999 -0.922 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.067 -1.216 -1.721 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.367 -2.404 -1.979 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.682 -0.383 -2.273 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.432 -1.727 -3.412 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.528 -0.055 -4.015 1.00 8.12 H new ATOM 417 N LYS A 27 -1.218 0.115 -4.505 1.00 2.64 N ATOM 418 CA LYS A 27 -2.666 0.151 -4.573 1.00 4.14 C ATOM 419 C LYS A 27 -3.213 -0.508 -5.820 1.00 5.58 C ATOM 420 O LYS A 27 -4.174 -1.209 -5.775 1.00 4.11 O ATOM 421 CB LYS A 27 -3.168 1.638 -4.474 1.00 3.97 C ATOM 422 CG LYS A 27 -2.808 2.099 -3.086 1.00 7.45 C ATOM 423 CD LYS A 27 -3.444 3.554 -2.762 1.00 9.02 C ATOM 424 CE LYS A 27 -3.089 4.033 -1.341 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.385 5.488 -1.410 1.00 15.47 N ATOM 0 H LYS A 27 -0.766 1.015 -4.665 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.042 -0.424 -3.727 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.692 2.263 -5.230 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.243 1.700 -4.640 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.166 1.373 -2.356 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.724 2.144 -2.986 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.081 4.279 -3.491 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.528 3.509 -2.870 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.690 3.532 -0.582 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.044 3.842 -1.098 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.228 5.919 -0.476 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.758 5.937 -2.108 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.376 5.628 -1.694 1.00 15.47 H new ATOM 439 N ALA A 28 -2.539 -0.292 -6.962 1.00 6.61 N ATOM 440 CA ALA A 28 -2.927 -0.910 -8.305 1.00 7.74 C ATOM 441 C ALA A 28 -2.718 -2.398 -8.308 1.00 9.17 C ATOM 442 O ALA A 28 -3.570 -3.137 -8.793 1.00 11.45 O ATOM 443 CB ALA A 28 -2.240 -0.316 -9.524 1.00 7.68 C ATOM 0 H ALA A 28 -1.714 0.305 -7.014 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.985 -0.666 -8.399 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.587 -0.827 -10.422 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.478 0.745 -9.595 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.161 -0.440 -9.430 1.00 7.68 H new ATOM 449 N LYS A 29 -1.695 -2.953 -7.670 1.00 8.96 N ATOM 450 CA LYS A 29 -1.503 -4.390 -7.496 1.00 7.90 C ATOM 451 C LYS A 29 -2.551 -5.083 -6.554 1.00 6.92 C ATOM 452 O LYS A 29 -3.038 -6.168 -6.819 1.00 6.87 O ATOM 453 CB LYS A 29 -0.083 -4.767 -6.959 1.00 10.28 C ATOM 454 CG LYS A 29 0.164 -6.273 -7.180 1.00 14.94 C ATOM 455 CD LYS A 29 1.648 -6.737 -7.267 1.00 19.69 C ATOM 456 CE LYS A 29 1.862 -8.233 -7.724 1.00 22.63 C ATOM 457 NZ LYS A 29 1.680 -8.601 -9.106 1.00 24.98 N ATOM 0 H LYS A 29 -0.952 -2.399 -7.245 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.637 -4.762 -8.512 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.680 -4.183 -7.474 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.007 -4.526 -5.899 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.315 -6.818 -6.367 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -0.338 -6.568 -8.101 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.176 -6.083 -7.962 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.111 -6.603 -6.289 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.878 -8.514 -7.445 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.187 -8.852 -7.133 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 1.862 -9.619 -9.221 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 0.704 -8.389 -9.396 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.343 -8.062 -9.699 1.00 24.98 H new ATOM 471 N ILE A 30 -2.986 -4.375 -5.486 1.00 4.57 N ATOM 472 CA ILE A 30 -4.098 -4.812 -4.592 1.00 5.58 C ATOM 473 C ILE A 30 -5.440 -4.670 -5.335 1.00 7.26 C ATOM 474 O ILE A 30 -6.377 -5.435 -5.156 1.00 9.46 O ATOM 475 CB ILE A 30 -4.134 -4.140 -3.222 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.845 -4.464 -2.418 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.425 -4.462 -2.435 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.602 -5.929 -2.258 1.00 2.00 C ATOM 0 H ILE A 30 -2.578 -3.481 -5.214 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.908 -5.860 -4.359 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.157 -3.062 -3.384 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.989 -4.013 -2.920 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.915 -4.004 -1.432 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.397 -3.958 -1.469 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.291 -4.116 -3.000 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.498 -5.539 -2.281 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.687 -6.086 -1.687 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.441 -6.381 -1.729 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.501 -6.390 -3.240 1.00 2.00 H new ATOM 490 N GLN A 31 -5.571 -3.659 -6.219 1.00 7.06 N ATOM 491 CA GLN A 31 -6.677 -3.606 -7.160 1.00 8.67 C ATOM 492 C GLN A 31 -6.720 -4.842 -8.009 1.00 10.90 C ATOM 493 O GLN A 31 -7.763 -5.512 -8.073 1.00 9.63 O ATOM 494 CB GLN A 31 -6.605 -2.392 -8.089 1.00 9.12 C ATOM 495 CG GLN A 31 -7.889 -2.171 -8.949 1.00 10.76 C ATOM 496 CD GLN A 31 -7.806 -0.983 -9.889 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.750 -0.517 -10.318 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.971 -0.341 -10.121 1.00 14.76 N ATOM 0 H GLN A 31 -4.920 -2.877 -6.290 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.579 -3.528 -6.552 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.424 -1.500 -7.490 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.750 -2.508 -8.755 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.082 -3.071 -9.533 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.741 -2.035 -8.283 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.846 -0.727 -9.766 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.976 0.530 -10.652 1.00 14.76 H new ATOM 507 N ASP A 32 -5.627 -5.270 -8.649 1.00 10.93 N ATOM 508 CA ASP A 32 -5.589 -6.424 -9.530 1.00 14.01 C ATOM 509 C ASP A 32 -5.859 -7.725 -8.775 1.00 14.04 C ATOM 510 O ASP A 32 -6.545 -8.654 -9.333 1.00 13.39 O ATOM 511 CB ASP A 32 -4.208 -6.343 -10.235 1.00 18.01 C ATOM 512 CG ASP A 32 -4.113 -7.335 -11.367 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.797 -7.186 -12.415 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.275 -8.227 -11.214 1.00 26.29 O ATOM 0 H ASP A 32 -4.723 -4.805 -8.561 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.383 -6.419 -10.277 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.051 -5.335 -10.618 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.416 -6.536 -9.512 1.00 18.01 H new ATOM 519 N LYS A 33 -5.238 -7.912 -7.551 1.00 14.22 N ATOM 520 CA LYS A 33 -5.548 -9.058 -6.725 1.00 14.00 C ATOM 521 C LYS A 33 -6.880 -9.149 -6.069 1.00 12.37 C ATOM 522 O LYS A 33 -7.568 -10.195 -6.246 1.00 12.17 O ATOM 523 CB LYS A 33 -4.558 -9.168 -5.540 1.00 18.62 C ATOM 524 CG LYS A 33 -3.201 -9.780 -5.859 1.00 24.00 C ATOM 525 CD LYS A 33 -2.390 -10.126 -4.643 1.00 27.61 C ATOM 526 CE LYS A 33 -1.011 -10.709 -4.832 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.092 -11.996 -5.517 1.00 30.06 N ATOM 0 H LYS A 33 -4.542 -7.278 -7.157 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.499 -9.843 -7.480 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.398 -8.170 -5.133 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.027 -9.761 -4.755 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.350 -10.682 -6.453 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.634 -9.082 -6.476 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.286 -9.220 -4.046 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.969 -10.834 -4.050 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.394 -10.021 -5.410 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.527 -10.835 -3.864 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.137 -12.393 -5.625 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.678 -12.650 -4.959 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.520 -11.863 -6.456 1.00 30.06 H new ATOM 541 N GLU A 34 -7.316 -8.094 -5.350 1.00 10.11 N ATOM 542 CA GLU A 34 -8.418 -8.151 -4.441 1.00 10.07 C ATOM 543 C GLU A 34 -9.591 -7.334 -4.951 1.00 9.32 C ATOM 544 O GLU A 34 -10.680 -7.330 -4.379 1.00 11.61 O ATOM 545 CB GLU A 34 -8.008 -7.644 -2.983 1.00 14.77 C ATOM 546 CG GLU A 34 -6.799 -8.386 -2.410 1.00 18.75 C ATOM 547 CD GLU A 34 -7.127 -9.854 -2.259 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.867 -10.211 -1.294 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.554 -10.652 -3.055 1.00 25.19 O ATOM 0 H GLU A 34 -6.885 -7.171 -5.405 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.716 -9.197 -4.372 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.787 -6.577 -3.024 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.856 -7.768 -2.309 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.939 -8.261 -3.067 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.525 -7.963 -1.443 1.00 18.75 H new ATOM 556 N GLY A 35 -9.431 -6.606 -6.101 1.00 7.22 N ATOM 557 CA GLY A 35 -10.458 -5.776 -6.724 1.00 6.29 C ATOM 558 C GLY A 35 -10.789 -4.503 -6.072 1.00 6.93 C ATOM 559 O GLY A 35 -11.921 -4.101 -6.332 1.00 7.41 O ATOM 0 H GLY A 35 -8.551 -6.596 -6.617 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.142 -5.559 -7.744 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.372 -6.366 -6.792 1.00 6.29 H new ATOM 563 N ILE A 36 -9.931 -3.922 -5.173 1.00 5.86 N ATOM 564 CA ILE A 36 -10.223 -2.735 -4.364 1.00 6.07 C ATOM 565 C ILE A 36 -9.830 -1.558 -5.213 1.00 6.36 C ATOM 566 O ILE A 36 -8.630 -1.542 -5.579 1.00 6.18 O ATOM 567 CB ILE A 36 -9.436 -2.728 -3.034 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.788 -4.041 -2.242 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.891 -1.448 -2.222 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.105 -4.119 -0.890 1.00 9.49 C ATOM 0 H ILE A 36 -8.996 -4.293 -5.002 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.277 -2.711 -4.086 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.359 -2.696 -3.199 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.867 -4.095 -2.101 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.500 -4.907 -2.839 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.355 -1.409 -1.274 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.669 -0.552 -2.801 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.963 -1.500 -2.031 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.387 -5.047 -0.393 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.024 -4.095 -1.027 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.412 -3.271 -0.278 1.00 9.49 H new ATOM 582 N PRO A 37 -10.646 -0.670 -5.698 1.00 8.65 N ATOM 583 CA PRO A 37 -10.204 0.603 -6.339 1.00 9.18 C ATOM 584 C PRO A 37 -9.090 1.313 -5.596 1.00 9.85 C ATOM 585 O PRO A 37 -9.150 1.420 -4.365 1.00 8.51 O ATOM 586 CB PRO A 37 -11.498 1.448 -6.286 1.00 11.42 C ATOM 587 CG PRO A 37 -12.561 0.391 -6.365 1.00 9.27 C ATOM 588 CD PRO A 37 -12.092 -0.587 -5.412 1.00 8.33 C ATOM 0 HA PRO A 37 -9.789 0.434 -7.333 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.568 2.030 -5.367 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.560 2.153 -7.115 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.543 0.781 -6.098 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.646 -0.027 -7.368 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.282 -0.273 -4.386 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.585 -1.550 -5.547 1.00 8.33 H new ATOM 596 N PRO A 38 -8.065 1.869 -6.152 1.00 8.71 N ATOM 597 CA PRO A 38 -7.080 2.655 -5.484 1.00 9.08 C ATOM 598 C PRO A 38 -7.486 3.819 -4.623 1.00 9.28 C ATOM 599 O PRO A 38 -6.813 4.106 -3.645 1.00 6.50 O ATOM 600 CB PRO A 38 -6.251 3.317 -6.618 1.00 10.31 C ATOM 601 CG PRO A 38 -6.304 2.347 -7.738 1.00 10.81 C ATOM 602 CD PRO A 38 -7.593 1.547 -7.568 1.00 12.00 C ATOM 0 HA PRO A 38 -6.614 1.946 -4.800 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.673 4.279 -6.907 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.224 3.501 -6.302 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.293 2.864 -8.698 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.435 1.689 -7.721 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.339 1.835 -8.309 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.416 0.479 -7.693 1.00 12.00 H new ATOM 610 N ASP A 39 -8.610 4.497 -4.906 1.00 11.20 N ATOM 611 CA ASP A 39 -9.051 5.705 -4.155 1.00 14.96 C ATOM 612 C ASP A 39 -10.016 5.230 -3.086 1.00 13.99 C ATOM 613 O ASP A 39 -10.647 6.019 -2.398 1.00 13.75 O ATOM 614 CB ASP A 39 -9.806 6.737 -4.999 1.00 24.16 C ATOM 615 CG ASP A 39 -8.896 7.309 -6.060 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.051 8.123 -5.653 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.016 6.881 -7.257 1.00 35.55 O ATOM 0 H ASP A 39 -9.244 4.231 -5.659 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.152 6.192 -3.777 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.673 6.271 -5.466 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.180 7.537 -4.360 1.00 24.16 H new ATOM 622 N GLN A 40 -10.154 3.887 -2.888 1.00 11.60 N ATOM 623 CA GLN A 40 -10.804 3.276 -1.791 1.00 10.76 C ATOM 624 C GLN A 40 -9.826 2.692 -0.855 1.00 8.01 C ATOM 625 O GLN A 40 -10.175 2.013 0.132 1.00 8.96 O ATOM 626 CB GLN A 40 -11.847 2.184 -2.245 1.00 11.14 C ATOM 627 CG GLN A 40 -12.973 2.934 -2.929 1.00 14.85 C ATOM 628 CD GLN A 40 -14.014 1.907 -3.410 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.030 0.720 -3.143 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.064 2.525 -4.075 1.00 18.16 N ATOM 0 H GLN A 40 -9.780 3.205 -3.548 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.357 4.062 -1.277 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.388 1.466 -2.925 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.218 1.620 -1.389 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.430 3.644 -2.240 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.589 3.509 -3.772 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.019 3.522 -4.284 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.881 1.982 -4.355 1.00 18.16 H new ATOM 639 N GLN A 41 -8.515 3.039 -1.026 1.00 6.52 N ATOM 640 CA GLN A 41 -7.434 2.486 -0.264 1.00 3.87 C ATOM 641 C GLN A 41 -6.632 3.604 0.387 1.00 4.79 C ATOM 642 O GLN A 41 -6.042 4.479 -0.246 1.00 6.34 O ATOM 643 CB GLN A 41 -6.443 1.684 -1.148 1.00 4.20 C ATOM 644 CG GLN A 41 -7.136 0.452 -1.747 1.00 3.20 C ATOM 645 CD GLN A 41 -6.121 -0.371 -2.492 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.987 -0.498 -2.050 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.477 -0.806 -3.747 1.00 7.13 N ATOM 0 H GLN A 41 -8.212 3.725 -1.717 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.886 1.824 0.475 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.063 2.320 -1.948 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.585 1.373 -0.553 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.595 -0.142 -0.957 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.936 0.761 -2.419 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.434 -0.681 -4.078 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.784 -1.254 -4.347 1.00 7.13 H new ATOM 656 N ARG A 42 -6.468 3.448 1.726 1.00 5.73 N ATOM 657 CA ARG A 42 -5.493 4.162 2.544 1.00 6.97 C ATOM 658 C ARG A 42 -4.415 3.127 2.956 1.00 7.15 C ATOM 659 O ARG A 42 -4.724 1.994 3.378 1.00 7.33 O ATOM 660 CB ARG A 42 -6.014 4.846 3.785 1.00 13.23 C ATOM 661 CG ARG A 42 -6.952 5.983 3.406 1.00 21.27 C ATOM 662 CD ARG A 42 -7.522 6.585 4.676 1.00 26.14 C ATOM 663 NE ARG A 42 -8.135 7.800 4.108 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.287 8.371 4.434 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.100 7.779 5.339 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.624 9.493 3.757 1.00 36.39 N ATOM 0 H ARG A 42 -7.036 2.798 2.269 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.123 4.982 1.929 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.539 4.126 4.412 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.181 5.233 4.372 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.416 6.741 2.836 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.756 5.614 2.769 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.250 5.934 5.159 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.754 6.809 5.416 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.604 8.261 3.369 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.827 6.895 5.769 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.986 8.216 5.591 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.003 9.859 3.036 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.499 9.972 3.968 1.00 36.39 H new ATOM 680 N LEU A 43 -3.152 3.493 2.730 1.00 4.65 N ATOM 681 CA LEU A 43 -1.979 2.717 3.103 1.00 3.51 C ATOM 682 C LEU A 43 -1.112 3.496 4.069 1.00 5.56 C ATOM 683 O LEU A 43 -0.903 4.687 3.853 1.00 4.19 O ATOM 684 CB LEU A 43 -0.981 2.439 1.898 1.00 3.74 C ATOM 685 CG LEU A 43 -1.566 1.395 0.884 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.750 1.393 -0.356 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.696 -0.022 1.523 1.00 6.41 C ATOM 0 H LEU A 43 -2.915 4.370 2.266 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.397 1.793 3.502 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.772 3.373 1.377 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.032 2.073 2.290 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.581 1.690 0.617 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.158 0.667 -1.059 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.770 2.385 -0.806 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.279 1.125 -0.114 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.105 -0.716 0.789 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.713 -0.369 1.842 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.361 0.027 2.385 1.00 6.41 H new ATOM 699 N ILE A 44 -0.610 2.784 5.122 1.00 4.58 N ATOM 700 CA ILE A 44 0.165 3.344 6.242 1.00 5.55 C ATOM 701 C ILE A 44 1.425 2.447 6.425 1.00 5.46 C ATOM 702 O ILE A 44 1.404 1.241 6.353 1.00 6.04 O ATOM 703 CB ILE A 44 -0.706 3.291 7.550 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.895 4.352 7.529 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.028 3.477 8.861 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.208 3.770 7.021 1.00 13.90 C ATOM 0 H ILE A 44 -0.745 1.776 5.205 1.00 4.58 H new ATOM 0 HA ILE A 44 0.448 4.378 6.045 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.071 2.264 7.524 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.043 4.742 8.536 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.610 5.195 6.899 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.681 3.420 9.687 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.778 2.694 8.972 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.517 4.451 8.869 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.977 4.543 7.031 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.074 3.405 6.003 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.514 2.945 7.665 1.00 13.90 H new ATOM 718 N PHE A 45 2.578 3.088 6.700 1.00 6.75 N ATOM 719 CA PHE A 45 3.780 2.383 7.130 1.00 4.70 C ATOM 720 C PHE A 45 4.318 3.131 8.317 1.00 6.34 C ATOM 721 O PHE A 45 4.345 4.331 8.253 1.00 5.45 O ATOM 722 CB PHE A 45 4.837 2.190 5.995 1.00 5.51 C ATOM 723 CG PHE A 45 6.161 1.582 6.370 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.328 0.238 6.611 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.239 2.456 6.725 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.559 -0.354 7.042 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.471 1.906 7.111 1.00 6.64 C ATOM 728 CZ PHE A 45 8.566 0.518 7.394 1.00 6.84 C ATOM 0 H PHE A 45 2.692 4.099 6.628 1.00 6.75 H new ATOM 0 HA PHE A 45 3.529 1.359 7.406 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.389 1.567 5.221 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.030 3.165 5.547 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.477 -0.412 6.466 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.105 3.527 6.696 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.691 -1.425 7.089 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.344 2.537 7.193 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.444 0.138 7.895 1.00 6.84 H new ATOM 738 N ALA A 46 4.652 2.402 9.415 1.00 6.53 N ATOM 739 CA ALA A 46 5.273 2.923 10.677 1.00 7.15 C ATOM 740 C ALA A 46 5.100 4.333 11.080 1.00 9.00 C ATOM 741 O ALA A 46 6.039 5.146 11.012 1.00 11.15 O ATOM 742 CB ALA A 46 6.746 2.519 10.721 1.00 8.99 C ATOM 0 H ALA A 46 4.493 1.395 9.454 1.00 6.53 H new ATOM 0 HA ALA A 46 4.662 2.439 11.439 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.200 2.897 11.637 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.826 1.432 10.698 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.265 2.940 9.859 1.00 8.99 H new ATOM 748 N GLY A 47 3.855 4.667 11.384 1.00 9.35 N ATOM 749 CA GLY A 47 3.373 5.996 11.747 1.00 11.68 C ATOM 750 C GLY A 47 3.122 6.944 10.561 1.00 11.14 C ATOM 751 O GLY A 47 2.685 8.041 10.949 1.00 13.93 O ATOM 0 H GLY A 47 3.105 3.975 11.385 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.445 5.888 12.309 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.099 6.459 12.415 1.00 11.68 H new ATOM 755 N LYS A 48 3.330 6.579 9.285 1.00 10.47 N ATOM 756 CA LYS A 48 3.072 7.522 8.163 1.00 8.82 C ATOM 757 C LYS A 48 2.024 6.965 7.205 1.00 7.68 C ATOM 758 O LYS A 48 2.120 5.801 6.780 1.00 6.47 O ATOM 759 CB LYS A 48 4.310 7.912 7.263 1.00 9.74 C ATOM 760 CG LYS A 48 5.488 8.518 8.040 1.00 14.14 C ATOM 761 CD LYS A 48 5.177 9.902 8.618 1.00 16.32 C ATOM 762 CE LYS A 48 6.429 10.727 8.930 1.00 20.04 C ATOM 763 NZ LYS A 48 7.105 10.110 10.090 1.00 23.92 N ATOM 0 H LYS A 48 3.669 5.660 8.999 1.00 10.47 H new ATOM 0 HA LYS A 48 2.750 8.419 8.692 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.656 7.023 6.736 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.984 8.625 6.506 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.765 7.845 8.852 1.00 14.14 H new ATOM 0 HG3 LYS A 48 6.352 8.592 7.379 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.556 10.452 7.911 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.593 9.783 9.530 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.096 10.749 8.068 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.160 11.760 9.151 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.961 10.653 10.322 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.462 10.111 10.907 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.369 9.131 9.858 1.00 23.92 H new ATOM 777 N GLN A 49 1.085 7.892 6.844 1.00 8.89 N ATOM 778 CA GLN A 49 0.136 7.654 5.834 1.00 7.18 C ATOM 779 C GLN A 49 0.728 7.998 4.542 1.00 8.23 C ATOM 780 O GLN A 49 1.337 9.072 4.356 1.00 9.70 O ATOM 781 CB GLN A 49 -1.106 8.463 6.080 1.00 11.67 C ATOM 782 CG GLN A 49 -2.105 7.926 7.219 1.00 15.82 C ATOM 783 CD GLN A 49 -3.091 8.963 7.621 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.482 9.792 6.840 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.534 8.903 8.890 1.00 20.67 N ATOM 0 H GLN A 49 1.007 8.812 7.277 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.147 6.601 5.836 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.805 9.477 6.343 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.661 8.527 5.144 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.633 7.045 6.854 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.529 7.615 8.090 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.178 8.185 9.521 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.226 9.575 9.221 1.00 20.67 H new ATOM 794 N LEU A 50 0.645 7.139 3.545 1.00 6.51 N ATOM 795 CA LEU A 50 1.537 7.180 2.418 1.00 7.41 C ATOM 796 C LEU A 50 0.896 7.750 1.162 1.00 8.27 C ATOM 797 O LEU A 50 0.057 7.105 0.575 1.00 8.34 O ATOM 798 CB LEU A 50 1.970 5.692 2.073 1.00 7.13 C ATOM 799 CG LEU A 50 2.610 4.934 3.267 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.834 3.434 2.910 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.865 5.577 3.838 1.00 9.11 C ATOM 0 H LEU A 50 -0.048 6.392 3.500 1.00 6.51 H new ATOM 0 HA LEU A 50 2.372 7.822 2.700 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.095 5.139 1.730 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.679 5.712 1.245 1.00 7.13 H new ATOM 0 HG LEU A 50 1.885 5.001 4.078 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.283 2.921 3.760 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.877 2.970 2.671 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.498 3.360 2.049 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.237 4.975 4.667 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.628 5.638 3.062 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.630 6.580 4.195 1.00 9.11 H new ATOM 813 N GLU A 51 1.426 8.843 0.644 1.00 9.43 N ATOM 814 CA GLU A 51 1.077 9.431 -0.616 1.00 11.90 C ATOM 815 C GLU A 51 1.449 8.603 -1.865 1.00 11.49 C ATOM 816 O GLU A 51 2.545 8.166 -2.096 1.00 9.88 O ATOM 817 CB GLU A 51 1.695 10.842 -0.799 1.00 16.56 C ATOM 818 CG GLU A 51 1.017 11.984 -0.014 1.00 26.06 C ATOM 819 CD GLU A 51 1.758 13.345 -0.110 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.903 13.397 -0.660 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.162 14.374 0.322 1.00 33.44 O ATOM 0 H GLU A 51 2.154 9.368 1.129 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.010 9.476 -0.557 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.744 10.799 -0.505 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.671 11.093 -1.860 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.001 12.110 -0.383 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.943 11.696 1.035 1.00 26.06 H new ATOM 828 N ASP A 52 0.462 8.426 -2.712 1.00 12.71 N ATOM 829 CA ASP A 52 0.468 7.619 -3.869 1.00 16.56 C ATOM 830 C ASP A 52 1.677 7.807 -4.770 1.00 15.83 C ATOM 831 O ASP A 52 2.371 6.834 -5.192 1.00 17.21 O ATOM 832 CB ASP A 52 -0.811 7.951 -4.773 1.00 21.05 C ATOM 833 CG ASP A 52 -2.058 7.816 -3.873 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.403 6.643 -3.558 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.553 8.915 -3.452 1.00 28.37 O ATOM 0 H ASP A 52 -0.436 8.892 -2.580 1.00 12.71 H new ATOM 0 HA ASP A 52 0.476 6.598 -3.488 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.740 8.958 -5.183 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.872 7.266 -5.619 1.00 21.05 H new ATOM 840 N GLY A 53 2.069 9.081 -5.118 1.00 15.00 N ATOM 841 CA GLY A 53 3.053 9.373 -6.132 1.00 11.77 C ATOM 842 C GLY A 53 4.535 9.393 -5.671 1.00 11.10 C ATOM 843 O GLY A 53 5.461 9.915 -6.356 1.00 11.25 O ATOM 0 H GLY A 53 1.685 9.916 -4.676 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.953 8.635 -6.928 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.817 10.344 -6.567 1.00 11.77 H new ATOM 847 N ARG A 54 4.764 8.903 -4.437 1.00 8.53 N ATOM 848 CA ARG A 54 6.063 8.785 -3.846 1.00 9.05 C ATOM 849 C ARG A 54 6.532 7.355 -3.951 1.00 8.96 C ATOM 850 O ARG A 54 5.831 6.372 -4.019 1.00 11.60 O ATOM 851 CB ARG A 54 5.951 9.136 -2.388 1.00 7.97 C ATOM 852 CG ARG A 54 5.459 10.548 -2.147 1.00 9.62 C ATOM 853 CD ARG A 54 6.222 11.192 -0.948 1.00 12.20 C ATOM 854 NE ARG A 54 5.490 12.426 -0.430 1.00 18.23 N ATOM 855 CZ ARG A 54 5.958 13.185 0.568 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.030 13.007 1.302 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.080 14.218 0.858 1.00 23.38 N ATOM 0 H ARG A 54 4.014 8.576 -3.827 1.00 8.53 H new ATOM 0 HA ARG A 54 6.764 9.446 -4.355 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.272 8.435 -1.904 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.926 9.013 -1.916 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.605 11.149 -3.044 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.389 10.537 -1.942 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.325 10.463 -0.145 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.230 11.467 -1.260 1.00 12.20 H new ATOM 0 HE ARG A 54 4.604 12.684 -0.864 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.631 12.199 1.140 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.263 13.677 2.035 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.212 14.313 0.330 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.302 14.883 1.599 1.00 23.38 H new ATOM 871 N THR A 55 7.893 7.169 -3.965 1.00 9.05 N ATOM 872 CA THR A 55 8.512 5.838 -4.043 1.00 9.03 C ATOM 873 C THR A 55 8.682 5.146 -2.751 1.00 8.15 C ATOM 874 O THR A 55 8.890 5.719 -1.668 1.00 5.91 O ATOM 875 CB THR A 55 9.843 5.773 -4.796 1.00 11.15 C ATOM 876 OG1 THR A 55 10.798 6.739 -4.255 1.00 11.95 O ATOM 877 CG2 THR A 55 9.626 6.149 -6.230 1.00 11.71 C ATOM 0 H THR A 55 8.565 7.935 -3.923 1.00 9.05 H new ATOM 0 HA THR A 55 7.758 5.311 -4.627 1.00 9.03 H new ATOM 0 HB THR A 55 10.227 4.758 -4.695 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.680 6.319 -4.177 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.574 6.103 -6.766 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.918 5.456 -6.685 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.228 7.162 -6.284 1.00 11.71 H new ATOM 885 N LEU A 56 8.618 3.810 -2.698 1.00 6.91 N ATOM 886 CA LEU A 56 8.823 2.996 -1.431 1.00 8.29 C ATOM 887 C LEU A 56 10.187 3.316 -0.847 1.00 8.05 C ATOM 888 O LEU A 56 10.270 3.468 0.366 1.00 10.17 O ATOM 889 CB LEU A 56 8.681 1.479 -1.767 1.00 6.60 C ATOM 890 CG LEU A 56 7.282 0.895 -2.111 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.247 -0.488 -2.792 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.567 0.747 -0.755 1.00 8.64 C ATOM 0 H LEU A 56 8.424 3.235 -3.518 1.00 6.91 H new ATOM 0 HA LEU A 56 8.069 3.249 -0.686 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.338 1.269 -2.611 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.067 0.919 -0.915 1.00 6.60 H new ATOM 0 HG LEU A 56 6.829 1.572 -2.835 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.212 -0.777 -2.976 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.785 -0.441 -3.739 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.719 -1.225 -2.143 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.569 0.339 -0.913 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.137 0.074 -0.115 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.488 1.723 -0.277 1.00 8.64 H new ATOM 904 N SER A 57 11.239 3.445 -1.699 1.00 8.92 N ATOM 905 CA SER A 57 12.502 4.028 -1.319 1.00 9.00 C ATOM 906 C SER A 57 12.422 5.304 -0.554 1.00 9.44 C ATOM 907 O SER A 57 13.117 5.516 0.425 1.00 10.91 O ATOM 908 CB SER A 57 13.402 4.301 -2.585 1.00 10.32 C ATOM 909 OG SER A 57 12.848 5.135 -3.593 1.00 13.59 O ATOM 0 H SER A 57 11.208 3.137 -2.671 1.00 8.92 H new ATOM 0 HA SER A 57 12.933 3.278 -0.656 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.337 4.749 -2.248 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.653 3.342 -3.037 1.00 10.32 H new ATOM 0 HG SER A 57 12.337 4.588 -4.226 1.00 13.59 H new ATOM 915 N ASP A 58 11.615 6.311 -1.033 1.00 9.11 N ATOM 916 CA ASP A 58 11.626 7.596 -0.418 1.00 7.91 C ATOM 917 C ASP A 58 10.742 7.607 0.845 1.00 9.12 C ATOM 918 O ASP A 58 10.888 8.503 1.620 1.00 8.61 O ATOM 919 CB ASP A 58 11.252 8.740 -1.467 1.00 8.41 C ATOM 920 CG ASP A 58 11.784 10.074 -1.074 1.00 11.50 C ATOM 921 OD1 ASP A 58 13.035 10.228 -0.947 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.980 11.064 -1.021 1.00 10.05 O ATOM 0 H ASP A 58 10.980 6.217 -1.825 1.00 9.11 H new ATOM 0 HA ASP A 58 12.639 7.818 -0.083 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.645 8.471 -2.448 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.168 8.799 -1.563 1.00 8.41 H new ATOM 927 N TYR A 59 10.025 6.530 1.075 1.00 7.97 N ATOM 928 CA TYR A 59 9.205 6.397 2.201 1.00 8.45 C ATOM 929 C TYR A 59 9.851 5.501 3.238 1.00 10.98 C ATOM 930 O TYR A 59 9.345 5.294 4.375 1.00 12.95 O ATOM 931 CB TYR A 59 7.766 5.852 1.948 1.00 7.94 C ATOM 932 CG TYR A 59 6.796 7.029 1.898 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.688 7.879 3.053 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.989 7.228 0.810 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.615 8.797 3.076 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.007 8.194 0.824 1.00 6.52 C ATOM 937 CZ TYR A 59 4.839 8.966 1.963 1.00 6.76 C ATOM 938 OH TYR A 59 3.758 9.943 2.110 1.00 7.63 O ATOM 0 H TYR A 59 10.013 5.719 0.456 1.00 7.97 H new ATOM 0 HA TYR A 59 9.096 7.426 2.545 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.733 5.295 1.011 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.480 5.160 2.740 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.396 7.818 3.866 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.124 6.619 -0.072 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.408 9.365 3.971 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.377 8.348 -0.040 1.00 6.52 H new ATOM 0 HH TYR A 59 3.875 10.662 1.454 1.00 7.63 H new ATOM 948 N ASN A 60 11.086 5.007 2.906 1.00 12.38 N ATOM 949 CA ASN A 60 11.988 4.296 3.786 1.00 13.94 C ATOM 950 C ASN A 60 11.460 2.894 4.082 1.00 14.16 C ATOM 951 O ASN A 60 11.694 2.284 5.115 1.00 14.26 O ATOM 952 CB ASN A 60 12.332 5.044 5.076 1.00 19.23 C ATOM 953 CG ASN A 60 12.497 6.557 4.867 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.478 6.966 4.176 1.00 25.45 O ATOM 955 ND2 ASN A 60 11.702 7.357 5.544 1.00 24.09 N ATOM 0 H ASN A 60 11.469 5.115 1.967 1.00 12.38 H new ATOM 0 HA ASN A 60 12.930 4.217 3.244 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.547 4.868 5.812 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.255 4.637 5.490 1.00 19.23 H new ATOM 0 HD21 ASN A 60 11.860 8.365 5.530 1.00 24.09 H new ATOM 0 HD22 ASN A 60 10.927 6.970 6.083 1.00 24.09 H new ATOM 962 N ILE A 61 10.697 2.351 3.150 1.00 11.08 N ATOM 963 CA ILE A 61 10.071 1.061 3.179 1.00 11.78 C ATOM 964 C ILE A 61 10.901 0.016 2.503 1.00 13.74 C ATOM 965 O ILE A 61 11.267 0.078 1.315 1.00 14.60 O ATOM 966 CB ILE A 61 8.784 1.129 2.467 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.910 2.234 3.081 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.018 -0.193 2.692 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.491 2.359 2.521 1.00 11.42 C ATOM 0 H ILE A 61 10.488 2.851 2.286 1.00 11.08 H new ATOM 0 HA ILE A 61 9.942 0.790 4.227 1.00 11.78 H new ATOM 0 HB ILE A 61 8.980 1.317 1.411 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.841 2.060 4.155 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.418 3.189 2.945 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.063 -0.154 2.169 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.608 -1.025 2.308 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.842 -0.335 3.758 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.969 3.170 3.029 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.539 2.571 1.453 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.953 1.425 2.682 1.00 11.42 H new ATOM 981 N GLN A 62 11.250 -1.031 3.219 1.00 13.97 N ATOM 982 CA GLN A 62 12.336 -1.904 2.913 1.00 15.52 C ATOM 983 C GLN A 62 11.832 -3.394 2.705 1.00 13.94 C ATOM 984 O GLN A 62 10.631 -3.630 2.578 1.00 12.15 O ATOM 985 CB GLN A 62 13.277 -1.964 4.113 1.00 19.53 C ATOM 986 CG GLN A 62 13.937 -0.563 4.246 1.00 26.38 C ATOM 987 CD GLN A 62 14.788 -0.506 5.437 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.258 -1.501 5.981 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.093 0.750 5.876 1.00 32.71 N ATOM 0 H GLN A 62 10.753 -1.300 4.068 1.00 13.97 H new ATOM 0 HA GLN A 62 12.816 -1.524 2.011 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.729 -2.219 5.020 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.034 -2.735 3.971 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.531 -0.349 3.357 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.165 0.204 4.306 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.692 1.564 5.411 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.722 0.874 6.670 1.00 32.71 H new ATOM 998 N LYS A 63 12.761 -4.392 2.693 1.00 11.73 N ATOM 999 CA LYS A 63 12.385 -5.712 2.484 1.00 11.97 C ATOM 1000 C LYS A 63 11.484 -6.193 3.642 1.00 10.41 C ATOM 1001 O LYS A 63 11.681 -5.641 4.729 1.00 9.59 O ATOM 1002 CB LYS A 63 13.612 -6.628 2.533 1.00 13.73 C ATOM 1003 CG LYS A 63 14.493 -6.507 3.813 1.00 16.98 C ATOM 1004 CD LYS A 63 15.685 -7.486 3.645 1.00 20.19 C ATOM 1005 CE LYS A 63 16.682 -7.431 4.763 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.689 -8.443 4.497 1.00 25.97 N ATOM 0 H LYS A 63 13.761 -4.249 2.831 1.00 11.73 H new ATOM 0 HA LYS A 63 11.880 -5.755 1.519 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.276 -7.661 2.442 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.235 -6.417 1.664 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.850 -5.485 3.939 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.914 -6.755 4.703 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.299 -8.502 3.566 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.194 -7.265 2.707 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.138 -6.443 4.823 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.195 -7.616 5.721 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.400 -8.433 5.256 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.238 -9.379 4.457 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.151 -8.242 3.587 1.00 25.97 H new ATOM 1020 N GLU A 64 10.522 -7.118 3.412 1.00 10.04 N ATOM 1021 CA GLU A 64 9.661 -7.693 4.472 1.00 10.94 C ATOM 1022 C GLU A 64 8.906 -6.641 5.319 1.00 9.74 C ATOM 1023 O GLU A 64 8.771 -6.764 6.536 1.00 9.42 O ATOM 1024 CB GLU A 64 10.508 -8.666 5.390 1.00 18.31 C ATOM 1025 CG GLU A 64 11.096 -9.822 4.620 1.00 24.16 C ATOM 1026 CD GLU A 64 12.143 -10.650 5.400 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.454 -10.244 6.513 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.480 -11.792 4.988 1.00 32.61 O ATOM 0 H GLU A 64 10.321 -7.487 2.483 1.00 10.04 H new ATOM 0 HA GLU A 64 8.881 -8.256 3.960 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.312 -8.104 5.865 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.873 -9.051 6.188 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.287 -10.483 4.310 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.560 -9.438 3.712 1.00 24.16 H new ATOM 1035 N SER A 65 8.325 -5.605 4.695 1.00 6.85 N ATOM 1036 CA SER A 65 7.641 -4.538 5.430 1.00 6.90 C ATOM 1037 C SER A 65 6.176 -4.701 5.454 1.00 4.72 C ATOM 1038 O SER A 65 5.568 -5.020 4.440 1.00 3.91 O ATOM 1039 CB SER A 65 7.881 -3.199 4.757 1.00 7.28 C ATOM 1040 OG SER A 65 9.226 -2.758 4.940 1.00 10.56 O ATOM 0 H SER A 65 8.317 -5.486 3.682 1.00 6.85 H new ATOM 0 HA SER A 65 8.043 -4.585 6.442 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.665 -3.282 3.692 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.194 -2.457 5.165 1.00 7.28 H new ATOM 0 HG SER A 65 9.766 -3.025 4.167 1.00 10.56 H new ATOM 1046 N THR A 66 5.545 -4.429 6.593 1.00 4.48 N ATOM 1047 CA THR A 66 4.082 -4.460 6.737 1.00 3.80 C ATOM 1048 C THR A 66 3.449 -3.090 6.354 1.00 4.60 C ATOM 1049 O THR A 66 3.533 -2.045 7.028 1.00 5.33 O ATOM 1050 CB THR A 66 3.622 -4.800 8.134 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.061 -6.071 8.577 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.063 -4.840 8.284 1.00 3.40 C ATOM 0 H THR A 66 6.034 -4.178 7.453 1.00 4.48 H new ATOM 0 HA THR A 66 3.751 -5.247 6.059 1.00 3.80 H new ATOM 0 HB THR A 66 4.059 -3.998 8.728 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.733 -6.232 9.486 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.803 -5.090 9.312 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.648 -3.864 8.032 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.652 -5.594 7.612 1.00 3.40 H new ATOM 1060 N LEU A 67 2.646 -3.109 5.267 1.00 4.17 N ATOM 1061 CA LEU A 67 1.912 -1.986 4.799 1.00 3.85 C ATOM 1062 C LEU A 67 0.509 -2.191 5.232 1.00 3.80 C ATOM 1063 O LEU A 67 -0.146 -3.179 4.805 1.00 5.54 O ATOM 1064 CB LEU A 67 2.018 -1.617 3.320 1.00 7.18 C ATOM 1065 CG LEU A 67 3.165 -0.648 3.071 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.547 -1.325 3.321 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.086 -0.004 1.706 1.00 11.66 C ATOM 0 H LEU A 67 2.509 -3.945 4.698 1.00 4.17 H new ATOM 0 HA LEU A 67 2.374 -1.105 5.243 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.167 -2.520 2.728 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.082 -1.169 2.987 1.00 7.18 H new ATOM 0 HG LEU A 67 3.064 0.159 3.796 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.344 -0.605 3.134 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.603 -1.668 4.354 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.662 -2.176 2.650 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.926 0.678 1.577 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.123 -0.776 0.937 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.151 0.550 1.619 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.068 -1.299 6.044 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.339 -1.480 6.641 1.00 4.17 C ATOM 1081 C HIS A 68 -2.363 -0.925 5.695 1.00 5.32 C ATOM 1082 O HIS A 68 -2.463 0.292 5.544 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.400 -0.764 7.999 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.471 -1.391 8.971 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.821 -2.560 9.677 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.837 -1.104 9.265 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.292 -2.923 10.353 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.323 -2.062 10.127 1.00 16.30 N ATOM 0 H HIS A 68 0.373 -0.414 6.294 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.532 -2.537 6.825 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.144 0.288 7.872 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.418 -0.799 8.388 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.396 -0.263 8.883 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.356 -3.790 10.994 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.264 -2.116 10.517 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.174 -1.803 5.042 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.269 -1.408 4.275 1.00 3.97 C ATOM 1098 C LEU A 69 -5.479 -1.065 5.110 1.00 5.07 C ATOM 1099 O LEU A 69 -6.119 -1.845 5.900 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.688 -2.569 3.271 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.910 -2.163 2.369 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.612 -0.938 1.564 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.373 -3.304 1.503 1.00 9.96 C ATOM 0 H LEU A 69 -3.037 -2.813 5.068 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.951 -0.514 3.738 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.839 -2.822 2.636 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.940 -3.465 3.839 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.737 -1.919 3.036 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.478 -0.685 0.952 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.387 -0.108 2.234 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.754 -1.127 0.919 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.219 -2.980 0.896 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.558 -3.620 0.851 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.678 -4.139 2.134 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.947 0.157 4.923 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.128 0.773 5.557 1.00 6.26 C ATOM 1117 C VAL A 70 -8.104 1.153 4.497 1.00 9.22 C ATOM 1118 O VAL A 70 -7.833 1.833 3.477 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.752 2.089 6.381 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.013 2.742 6.951 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.870 1.610 7.545 1.00 8.54 C ATOM 0 H VAL A 70 -5.487 0.801 4.280 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.549 0.043 6.248 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.251 2.820 5.747 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.739 3.637 7.509 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.682 3.014 6.135 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.518 2.040 7.615 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.575 2.465 8.153 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.429 0.904 8.159 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.980 1.121 7.150 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.392 0.818 4.701 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.358 1.050 3.676 1.00 16.06 C ATOM 1133 C LEU A 71 -10.939 2.477 3.766 1.00 18.09 C ATOM 1134 O LEU A 71 -11.111 3.004 4.887 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.547 0.018 3.725 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.193 -1.371 3.561 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.360 -2.319 3.819 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.568 -1.645 2.188 1.00 19.57 C ATOM 0 H LEU A 71 -9.757 0.396 5.555 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.827 0.925 2.732 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.059 0.130 4.681 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.263 0.283 2.947 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.442 -1.574 4.324 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.030 -3.348 3.680 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.717 -2.187 4.841 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.168 -2.099 3.121 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.317 -2.703 2.107 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.279 -1.380 1.405 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.664 -1.047 2.074 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.320 3.064 2.577 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.805 4.386 2.483 1.00 25.83 C ATOM 1152 C ARG A 72 -13.193 4.444 1.837 1.00 27.74 C ATOM 1153 O ARG A 72 -13.461 3.987 0.738 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.850 5.311 1.686 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.387 6.709 1.454 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.312 7.589 0.862 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.883 8.879 0.519 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.660 9.510 -0.644 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.660 9.110 -1.455 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.435 10.520 -0.997 1.00 35.02 N ATOM 0 H ARG A 72 -11.277 2.581 1.680 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.869 4.743 3.511 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.902 5.382 2.220 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.638 4.851 0.721 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.245 6.670 0.783 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.737 7.133 2.395 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.497 7.717 1.575 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.888 7.118 -0.025 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.489 9.332 1.202 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.068 8.324 -1.186 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.495 9.593 -2.338 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.197 10.816 -0.387 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.271 11.004 -1.880 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.120 5.022 2.535 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.481 5.219 2.190 1.00 30.76 C ATOM 1176 C LEU A 73 -15.698 6.705 1.757 1.00 32.18 C ATOM 1177 O LEU A 73 -14.867 7.592 2.013 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.364 4.897 3.435 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.152 3.440 3.953 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.084 3.032 5.096 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.285 2.443 2.840 1.00 29.11 C ATOM 0 H LEU A 73 -13.912 5.405 3.457 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.757 4.564 1.363 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.132 5.601 4.234 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.414 5.040 3.179 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.137 3.437 4.351 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.868 2.006 5.393 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.930 3.696 5.946 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.120 3.103 4.764 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.132 1.437 3.232 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.282 2.515 2.404 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.538 2.651 2.074 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.793 6.989 1.087 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.166 8.283 0.620 1.00 35.33 C ATOM 1195 C ARG A 74 -17.313 9.347 1.713 1.00 36.22 C ATOM 1196 O ARG A 74 -17.623 9.075 2.889 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.513 8.207 -0.115 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.549 7.215 -1.324 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.671 7.616 -2.475 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.009 6.555 -3.450 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.283 6.357 -4.550 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.511 7.309 -5.042 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.360 5.157 -5.128 1.00 41.93 N ATOM 0 H ARG A 74 -17.479 6.273 0.846 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.345 8.587 -0.030 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.284 7.915 0.599 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.771 9.203 -0.474 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.247 6.227 -0.978 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.576 7.128 -1.678 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.905 8.613 -2.848 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.614 7.615 -2.210 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.819 5.960 -3.276 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.462 8.216 -4.579 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.963 7.137 -5.885 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.958 4.435 -4.726 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.821 4.962 -5.972 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.961 10.589 1.380 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.118 11.819 2.246 1.00 36.07 C ATOM 1219 C GLY A 75 -16.117 11.976 3.381 1.00 36.16 C ATOM 1220 O GLY A 75 -16.273 12.829 4.295 1.00 36.26 O ATOM 0 H GLY A 75 -16.542 10.803 0.475 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.051 12.699 1.606 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.121 11.811 2.673 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.025 11.168 3.345 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.914 11.386 4.243 1.00 36.19 C ATOM 1226 C GLY A 76 -12.830 10.313 4.078 1.00 36.20 C ATOM 1227 O GLY A 76 -12.271 10.257 2.982 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.486 9.584 5.057 1.00 0.00 O ATOM 0 H GLY A 76 -14.912 10.380 2.708 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.483 12.370 4.056 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.273 11.385 5.272 1.00 36.19 H new TER 1232 GLY A 76