USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 86 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 29 LYS NZ :NH3+ -169:sc= -0.687 (180deg=-1.03) USER MOD Set 1.2: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 169:sc= -0.0755 (180deg=-0.163) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 175:sc= -0.779 (180deg=-0.801) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -4.63! C(o=-4.6!,f=-7.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 172:sc= -0.869 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -3.41 X(o=-3.4,f=-3.9!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 26.198 5.862 5.622 1.00 0.00 N ATOM 2 CA LEU A 1 25.665 4.829 4.685 1.00 0.00 C ATOM 3 C LEU A 1 24.127 4.812 4.517 1.00 0.00 C ATOM 4 O LEU A 1 23.498 3.850 4.069 1.00 0.00 O ATOM 5 CB LEU A 1 26.220 3.443 5.063 1.00 0.00 C ATOM 6 CG LEU A 1 25.669 2.913 6.395 1.00 0.00 C ATOM 7 CD1 LEU A 1 25.032 1.543 6.165 1.00 0.00 C ATOM 8 CD2 LEU A 1 26.785 2.798 7.439 1.00 0.00 C ATOM 0 H1 LEU A 1 27.204 5.675 5.809 1.00 0.00 H new ATOM 0 H2 LEU A 1 26.095 6.805 5.195 1.00 0.00 H new ATOM 0 H3 LEU A 1 25.667 5.827 6.516 1.00 0.00 H new ATOM 0 HA LEU A 1 26.023 5.113 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 1 25.980 2.734 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 1 27.307 3.498 5.123 1.00 0.00 H new ATOM 0 HG LEU A 1 24.921 3.612 6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 1 24.639 1.162 7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 1 24.220 1.636 5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 1 25.782 0.853 5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 1 26.371 2.421 8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 1 27.551 2.112 7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 1 27.228 3.780 7.608 1.00 0.00 H new ATOM 12 N GLN A 2 23.565 6.009 4.695 1.00 0.00 N ATOM 13 CA GLN A 2 22.124 6.295 4.612 1.00 0.00 C ATOM 14 C GLN A 2 21.689 6.523 3.149 1.00 0.00 C ATOM 15 O GLN A 2 20.906 7.414 2.826 1.00 0.00 O ATOM 16 CB GLN A 2 21.832 7.531 5.464 1.00 0.00 C ATOM 17 CG GLN A 2 22.105 7.312 6.960 1.00 0.00 C ATOM 18 CD GLN A 2 21.978 8.640 7.708 1.00 0.00 C ATOM 19 OE1 GLN A 2 22.930 9.177 8.255 1.00 0.00 O ATOM 20 NE2 GLN A 2 20.806 9.238 7.666 1.00 0.00 N ATOM 0 H GLN A 2 24.118 6.839 4.909 1.00 0.00 H new ATOM 0 HA GLN A 2 21.557 5.443 4.986 1.00 0.00 H new ATOM 0 HB2 GLN A 2 22.441 8.362 5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 2 20.789 7.819 5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 2 21.400 6.586 7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 2 23.104 6.899 7.100 1.00 0.00 H new ATOM 0 HE21 GLN A 2 20.017 8.782 7.207 1.00 0.00 H new ATOM 0 HE22 GLN A 2 20.687 10.157 8.092 1.00 0.00 H new ATOM 24 N ARG A 3 22.035 5.532 2.341 1.00 0.00 N ATOM 25 CA ARG A 3 21.782 5.467 0.890 1.00 0.00 C ATOM 26 C ARG A 3 21.810 4.001 0.460 1.00 0.00 C ATOM 27 O ARG A 3 22.550 3.210 1.054 1.00 0.00 O ATOM 28 CB ARG A 3 22.849 6.277 0.126 1.00 0.00 C ATOM 29 CG ARG A 3 24.280 5.761 0.337 1.00 0.00 C ATOM 30 CD ARG A 3 25.146 6.050 -0.898 1.00 0.00 C ATOM 31 NE ARG A 3 26.037 7.196 -0.640 1.00 0.00 N ATOM 32 CZ ARG A 3 25.679 8.477 -0.544 1.00 0.00 C ATOM 33 NH1 ARG A 3 24.544 8.944 -1.043 1.00 0.00 N ATOM 34 NH2 ARG A 3 26.200 9.171 0.455 1.00 0.00 N ATOM 0 H ARG A 3 22.524 4.706 2.686 1.00 0.00 H new ATOM 0 HA ARG A 3 20.807 5.898 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 3 22.617 6.254 -0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 3 22.797 7.319 0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 3 24.718 6.236 1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 3 24.261 4.689 0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 3 25.738 5.170 -1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 3 24.509 6.262 -1.756 1.00 0.00 H new ATOM 0 HE ARG A 3 27.029 6.988 -0.523 1.00 0.00 H new ATOM 0 HH11 ARG A 3 23.902 8.315 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 3 24.312 9.933 -0.945 1.00 0.00 H new ATOM 0 HH21 ARG A 3 26.843 8.722 1.107 1.00 0.00 H new ATOM 0 HH22 ARG A 3 25.958 10.155 0.573 1.00 0.00 H new ATOM 41 N MET A 4 20.790 3.630 -0.310 1.00 0.00 N ATOM 42 CA MET A 4 20.572 2.259 -0.831 1.00 0.00 C ATOM 43 C MET A 4 20.062 1.245 0.208 1.00 0.00 C ATOM 44 O MET A 4 19.297 0.349 -0.140 1.00 0.00 O ATOM 45 CB MET A 4 21.819 1.717 -1.559 1.00 0.00 C ATOM 46 CG MET A 4 21.491 1.168 -2.943 1.00 0.00 C ATOM 47 SD MET A 4 20.526 2.284 -4.046 1.00 0.00 S ATOM 48 CE MET A 4 21.407 3.837 -3.934 1.00 0.00 C ATOM 0 H MET A 4 20.065 4.284 -0.604 1.00 0.00 H new ATOM 0 HA MET A 4 19.761 2.370 -1.551 1.00 0.00 H new ATOM 0 HB2 MET A 4 22.557 2.514 -1.653 1.00 0.00 H new ATOM 0 HB3 MET A 4 22.274 0.930 -0.957 1.00 0.00 H new ATOM 0 HG2 MET A 4 22.426 0.915 -3.443 1.00 0.00 H new ATOM 0 HG3 MET A 4 20.934 0.239 -2.821 1.00 0.00 H new ATOM 0 HE1 MET A 4 20.967 4.556 -4.626 1.00 0.00 H new ATOM 0 HE2 MET A 4 21.337 4.223 -2.917 1.00 0.00 H new ATOM 0 HE3 MET A 4 22.455 3.680 -4.191 1.00 0.00 H new ATOM 50 N LYS A 5 20.296 1.566 1.468 1.00 0.00 N ATOM 51 CA LYS A 5 19.818 0.772 2.623 1.00 0.00 C ATOM 52 C LYS A 5 18.346 1.084 2.971 1.00 0.00 C ATOM 53 O LYS A 5 17.574 0.167 3.240 1.00 0.00 O ATOM 54 CB LYS A 5 20.778 1.009 3.798 1.00 0.00 C ATOM 55 CG LYS A 5 20.430 0.111 4.996 1.00 0.00 C ATOM 56 CD LYS A 5 20.084 0.970 6.212 1.00 0.00 C ATOM 57 CE LYS A 5 21.348 1.371 6.975 1.00 0.00 C ATOM 58 NZ LYS A 5 21.109 2.611 7.719 1.00 0.00 N ATOM 0 H LYS A 5 20.829 2.393 1.738 1.00 0.00 H new ATOM 0 HA LYS A 5 19.824 -0.289 2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.802 0.812 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.734 2.055 4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 5 19.588 -0.534 4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 5 21.272 -0.541 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 5 19.550 1.864 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.415 0.419 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 5 21.637 0.575 7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.175 1.508 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.972 2.878 8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.854 3.370 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.332 2.466 8.395 1.00 0.00 H new ATOM 63 N GLN A 6 17.961 2.355 2.853 1.00 0.00 N ATOM 64 CA GLN A 6 16.544 2.745 3.038 1.00 0.00 C ATOM 65 C GLN A 6 15.781 2.773 1.703 1.00 0.00 C ATOM 66 O GLN A 6 14.581 2.546 1.715 1.00 0.00 O ATOM 67 CB GLN A 6 16.357 4.081 3.773 1.00 0.00 C ATOM 68 CG GLN A 6 16.759 5.345 2.974 1.00 0.00 C ATOM 69 CD GLN A 6 18.219 5.307 2.524 1.00 0.00 C ATOM 70 OE1 GLN A 6 18.535 5.137 1.359 1.00 0.00 O ATOM 71 NE2 GLN A 6 19.106 5.036 3.457 1.00 0.00 N ATOM 0 H GLN A 6 18.590 3.127 2.634 1.00 0.00 H new ATOM 0 HA GLN A 6 16.123 1.969 3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 6 15.310 4.173 4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.940 4.054 4.693 1.00 0.00 H new ATOM 0 HG2 GLN A 6 16.114 5.440 2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 6 16.594 6.229 3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 6 18.869 5.169 4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 6 20.031 4.693 3.197 1.00 0.00 H new ATOM 75 N LEU A 7 16.477 3.005 0.583 1.00 0.00 N ATOM 76 CA LEU A 7 15.811 2.999 -0.741 1.00 0.00 C ATOM 77 C LEU A 7 15.038 1.702 -1.006 1.00 0.00 C ATOM 78 O LEU A 7 13.824 1.767 -1.134 1.00 0.00 O ATOM 79 CB LEU A 7 16.766 3.365 -1.881 1.00 0.00 C ATOM 80 CG LEU A 7 17.413 4.742 -1.681 1.00 0.00 C ATOM 81 CD1 LEU A 7 18.284 5.087 -2.886 1.00 0.00 C ATOM 82 CD2 LEU A 7 16.407 5.887 -1.473 1.00 0.00 C ATOM 0 H LEU A 7 17.479 3.196 0.557 1.00 0.00 H new ATOM 0 HA LEU A 7 15.063 3.792 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.546 2.607 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.221 3.356 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 7 18.001 4.657 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.740 6.066 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 7 19.066 4.336 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.669 5.106 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.946 6.825 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.757 5.963 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.804 5.685 -0.587 1.00 0.00 H new ATOM 84 N GLU A 8 15.654 0.580 -0.642 1.00 0.00 N ATOM 85 CA GLU A 8 14.983 -0.749 -0.680 1.00 0.00 C ATOM 86 C GLU A 8 13.783 -0.864 0.287 1.00 0.00 C ATOM 87 O GLU A 8 12.676 -1.178 -0.156 1.00 0.00 O ATOM 88 CB GLU A 8 16.010 -1.870 -0.494 1.00 0.00 C ATOM 89 CG GLU A 8 16.767 -1.804 0.847 1.00 0.00 C ATOM 90 CD GLU A 8 18.085 -2.575 0.828 1.00 0.00 C ATOM 91 OE1 GLU A 8 18.486 -3.220 1.782 1.00 0.00 O ATOM 92 OE2 GLU A 8 18.822 -2.500 -0.306 1.00 0.00 O ATOM 0 H GLU A 8 16.619 0.548 -0.314 1.00 0.00 H new ATOM 0 HA GLU A 8 14.541 -0.859 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.502 -2.831 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.731 -1.828 -1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.966 -0.761 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.131 -2.203 1.637 1.00 0.00 H new ATOM 95 N ASP A 9 13.935 -0.270 1.463 1.00 0.00 N ATOM 96 CA ASP A 9 12.906 -0.281 2.533 1.00 0.00 C ATOM 97 C ASP A 9 11.770 0.746 2.282 1.00 0.00 C ATOM 98 O ASP A 9 10.710 0.651 2.906 1.00 0.00 O ATOM 99 CB ASP A 9 13.623 -0.010 3.863 1.00 0.00 C ATOM 100 CG ASP A 9 13.003 -0.764 5.039 1.00 0.00 C ATOM 101 OD1 ASP A 9 12.456 -1.853 4.921 1.00 0.00 O ATOM 102 OD2 ASP A 9 13.174 -0.217 6.259 1.00 0.00 O ATOM 0 H ASP A 9 14.779 0.242 1.719 1.00 0.00 H new ATOM 0 HA ASP A 9 12.414 -1.253 2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.671 -0.293 3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.599 1.060 4.071 1.00 0.00 H new ATOM 105 N LYS A 10 12.009 1.692 1.385 1.00 0.00 N ATOM 106 CA LYS A 10 11.014 2.705 0.957 1.00 0.00 C ATOM 107 C LYS A 10 10.346 2.346 -0.391 1.00 0.00 C ATOM 108 O LYS A 10 9.167 2.602 -0.579 1.00 0.00 O ATOM 109 CB LYS A 10 11.642 4.115 1.017 1.00 0.00 C ATOM 110 CG LYS A 10 12.371 4.615 -0.236 1.00 0.00 C ATOM 111 CD LYS A 10 11.416 5.395 -1.133 1.00 0.00 C ATOM 112 CE LYS A 10 11.859 5.406 -2.598 1.00 0.00 C ATOM 113 NZ LYS A 10 10.835 6.099 -3.394 1.00 0.00 N ATOM 0 H LYS A 10 12.910 1.792 0.918 1.00 0.00 H new ATOM 0 HA LYS A 10 10.181 2.708 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.851 4.827 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.347 4.135 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.209 5.250 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 10 12.786 3.769 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 10 10.420 4.959 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 10 11.341 6.421 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.821 5.909 -2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.993 4.387 -2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.123 6.114 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.927 5.599 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.729 7.075 -3.050 1.00 0.00 H new ATOM 118 N VAL A 11 11.098 1.687 -1.278 1.00 0.00 N ATOM 119 CA VAL A 11 10.619 1.149 -2.572 1.00 0.00 C ATOM 120 C VAL A 11 9.674 -0.054 -2.339 1.00 0.00 C ATOM 121 O VAL A 11 8.594 -0.124 -2.916 1.00 0.00 O ATOM 122 CB VAL A 11 11.817 0.787 -3.483 1.00 0.00 C ATOM 123 CG1 VAL A 11 11.448 -0.033 -4.728 1.00 0.00 C ATOM 124 CG2 VAL A 11 12.500 2.065 -3.983 1.00 0.00 C ATOM 0 H VAL A 11 12.088 1.503 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 11 10.043 1.917 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 11 12.467 0.177 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.348 -0.241 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.989 -0.973 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.745 0.532 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.342 1.801 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.785 2.661 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.859 2.643 -3.131 1.00 0.00 H new ATOM 126 N GLU A 12 10.076 -0.949 -1.449 1.00 0.00 N ATOM 127 CA GLU A 12 9.255 -2.118 -1.073 1.00 0.00 C ATOM 128 C GLU A 12 7.988 -1.724 -0.294 1.00 0.00 C ATOM 129 O GLU A 12 6.905 -2.252 -0.566 1.00 0.00 O ATOM 130 CB GLU A 12 10.081 -3.112 -0.269 1.00 0.00 C ATOM 131 CG GLU A 12 11.160 -3.772 -1.149 1.00 0.00 C ATOM 132 CD GLU A 12 12.212 -4.449 -0.273 1.00 0.00 C ATOM 133 OE1 GLU A 12 13.413 -4.225 -0.391 1.00 0.00 O ATOM 134 OE2 GLU A 12 11.765 -5.290 0.683 1.00 0.00 O ATOM 0 H GLU A 12 10.972 -0.897 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 12 8.928 -2.587 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.553 -2.603 0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.429 -3.879 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.701 -4.506 -1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.632 -3.021 -1.783 1.00 0.00 H new ATOM 137 N GLU A 13 8.138 -0.670 0.513 1.00 0.00 N ATOM 138 CA GLU A 13 7.022 -0.059 1.258 1.00 0.00 C ATOM 139 C GLU A 13 5.919 0.500 0.335 1.00 0.00 C ATOM 140 O GLU A 13 4.766 0.584 0.747 1.00 0.00 O ATOM 141 CB GLU A 13 7.561 1.038 2.184 1.00 0.00 C ATOM 142 CG GLU A 13 6.864 1.003 3.557 1.00 0.00 C ATOM 143 CD GLU A 13 7.107 -0.283 4.349 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.082 -1.023 4.200 1.00 0.00 O ATOM 145 OE2 GLU A 13 6.137 -0.653 5.214 1.00 0.00 O ATOM 0 H GLU A 13 9.036 -0.212 0.672 1.00 0.00 H new ATOM 0 HA GLU A 13 6.555 -0.846 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.635 0.910 2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.410 2.014 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.208 1.852 4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.791 1.130 3.411 1.00 0.00 H new ATOM 148 N LEU A 14 6.269 0.755 -0.922 1.00 0.00 N ATOM 149 CA LEU A 14 5.309 1.192 -1.947 1.00 0.00 C ATOM 150 C LEU A 14 4.349 0.051 -2.304 1.00 0.00 C ATOM 151 O LEU A 14 3.162 0.191 -2.069 1.00 0.00 O ATOM 152 CB LEU A 14 5.973 1.694 -3.236 1.00 0.00 C ATOM 153 CG LEU A 14 7.015 2.790 -3.008 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.580 3.209 -4.362 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.496 4.006 -2.234 1.00 0.00 C ATOM 0 H LEU A 14 7.225 0.666 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 14 4.770 2.030 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.449 0.853 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.202 2.073 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 14 7.793 2.369 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.326 3.991 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.044 2.349 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.774 3.587 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.300 4.733 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.671 4.461 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.148 3.690 -1.251 1.00 0.00 H new ATOM 157 N LEU A 15 4.878 -1.076 -2.787 1.00 0.00 N ATOM 158 CA LEU A 15 4.063 -2.259 -3.149 1.00 0.00 C ATOM 159 C LEU A 15 3.267 -2.783 -1.948 1.00 0.00 C ATOM 160 O LEU A 15 2.047 -2.760 -2.009 1.00 0.00 O ATOM 161 CB LEU A 15 4.901 -3.384 -3.763 1.00 0.00 C ATOM 162 CG LEU A 15 5.936 -2.916 -4.804 1.00 0.00 C ATOM 163 CD1 LEU A 15 6.564 -4.154 -5.445 1.00 0.00 C ATOM 164 CD2 LEU A 15 5.383 -2.000 -5.902 1.00 0.00 C ATOM 0 H LEU A 15 5.878 -1.203 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 15 3.360 -1.921 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.422 -3.910 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.231 -4.103 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 15 6.665 -2.311 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.301 -3.846 -6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.051 -4.754 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.788 -4.746 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.187 -1.725 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.602 -2.523 -6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.967 -1.100 -5.450 1.00 0.00 H new ATOM 166 N SER A 16 3.937 -2.976 -0.812 1.00 0.00 N ATOM 167 CA SER A 16 3.266 -3.394 0.447 1.00 0.00 C ATOM 168 C SER A 16 2.094 -2.466 0.838 1.00 0.00 C ATOM 169 O SER A 16 1.055 -2.942 1.284 1.00 0.00 O ATOM 170 CB SER A 16 4.254 -3.498 1.619 1.00 0.00 C ATOM 171 OG SER A 16 4.764 -2.209 1.954 1.00 0.00 O ATOM 0 H SER A 16 4.946 -2.853 -0.724 1.00 0.00 H new ATOM 0 HA SER A 16 2.858 -4.384 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.757 -3.936 2.485 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.075 -4.163 1.353 1.00 0.00 H new ATOM 0 HG SER A 16 5.289 -2.269 2.779 1.00 0.00 H new ATOM 174 N LYS A 17 2.250 -1.183 0.517 1.00 0.00 N ATOM 175 CA LYS A 17 1.180 -0.167 0.631 1.00 0.00 C ATOM 176 C LYS A 17 0.137 -0.235 -0.493 1.00 0.00 C ATOM 177 O LYS A 17 -1.048 -0.389 -0.221 1.00 0.00 O ATOM 178 CB LYS A 17 1.779 1.254 0.756 1.00 0.00 C ATOM 179 CG LYS A 17 0.713 2.353 0.821 1.00 0.00 C ATOM 180 CD LYS A 17 1.144 3.531 1.703 1.00 0.00 C ATOM 181 CE LYS A 17 1.892 4.631 0.948 1.00 0.00 C ATOM 182 NZ LYS A 17 0.934 5.478 0.230 1.00 0.00 N ATOM 0 H LYS A 17 3.130 -0.805 0.165 1.00 0.00 H new ATOM 0 HA LYS A 17 0.638 -0.403 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.398 1.303 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.434 1.442 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.504 2.714 -0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.215 1.933 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.260 3.963 2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.780 3.157 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.473 5.234 1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.598 4.188 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.446 6.224 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.398 4.899 -0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.277 5.912 0.909 1.00 0.00 H new ATOM 187 N ASN A 18 0.557 -0.095 -1.744 1.00 0.00 N ATOM 188 CA ASN A 18 -0.321 -0.137 -2.928 1.00 0.00 C ATOM 189 C ASN A 18 -1.224 -1.389 -2.960 1.00 0.00 C ATOM 190 O ASN A 18 -2.418 -1.311 -3.272 1.00 0.00 O ATOM 191 CB ASN A 18 0.546 -0.016 -4.176 1.00 0.00 C ATOM 192 CG ASN A 18 -0.179 0.792 -5.260 1.00 0.00 C ATOM 193 OD1 ASN A 18 -0.572 0.288 -6.298 1.00 0.00 O ATOM 194 ND2 ASN A 18 -0.362 2.067 -5.015 1.00 0.00 N ATOM 0 H ASN A 18 1.538 0.055 -1.979 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.014 0.704 -2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.490 0.468 -3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.788 -1.009 -4.555 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.840 2.654 -5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.026 2.472 -4.141 1.00 0.00 H new ATOM 198 N TYR A 19 -0.697 -2.466 -2.383 1.00 0.00 N ATOM 199 CA TYR A 19 -1.411 -3.734 -2.135 1.00 0.00 C ATOM 200 C TYR A 19 -2.477 -3.619 -1.033 1.00 0.00 C ATOM 201 O TYR A 19 -3.632 -3.988 -1.263 1.00 0.00 O ATOM 202 CB TYR A 19 -0.399 -4.836 -1.821 1.00 0.00 C ATOM 203 CG TYR A 19 0.429 -5.343 -3.014 1.00 0.00 C ATOM 204 CD1 TYR A 19 0.810 -4.501 -4.082 1.00 0.00 C ATOM 205 CD2 TYR A 19 0.823 -6.694 -2.983 1.00 0.00 C ATOM 206 CE1 TYR A 19 1.605 -5.011 -5.129 1.00 0.00 C ATOM 207 CE2 TYR A 19 1.608 -7.214 -4.030 1.00 0.00 C ATOM 208 CZ TYR A 19 1.985 -6.368 -5.085 1.00 0.00 C ATOM 209 OH TYR A 19 2.762 -6.869 -6.086 1.00 0.00 O ATOM 0 H TYR A 19 0.271 -2.490 -2.061 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.956 -3.991 -3.043 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.286 -4.467 -1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.933 -5.682 -1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.493 -3.469 -4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.525 -7.328 -2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.916 -4.377 -5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.916 -8.249 -4.022 1.00 0.00 H new ATOM 0 HH TYR A 19 2.942 -7.817 -5.917 1.00 0.00 H new ATOM 212 N HIS A 20 -2.154 -2.977 0.086 1.00 0.00 N ATOM 213 CA HIS A 20 -3.155 -2.680 1.140 1.00 0.00 C ATOM 214 C HIS A 20 -4.153 -1.576 0.736 1.00 0.00 C ATOM 215 O HIS A 20 -5.263 -1.489 1.253 1.00 0.00 O ATOM 216 CB HIS A 20 -2.523 -2.434 2.522 1.00 0.00 C ATOM 217 CG HIS A 20 -1.781 -1.116 2.794 1.00 0.00 C ATOM 218 ND1 HIS A 20 -0.724 -0.985 3.600 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.161 0.123 2.472 1.00 0.00 C ATOM 220 CE1 HIS A 20 -0.467 0.305 3.764 1.00 0.00 C ATOM 221 NE2 HIS A 20 -1.327 0.990 3.029 1.00 0.00 N ATOM 0 H HIS A 20 -1.212 -2.648 0.298 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.746 -3.591 1.241 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.317 -2.520 3.264 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.822 -3.247 2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.011 0.378 1.857 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.309 0.723 4.388 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.345 2.003 2.912 1.00 0.00 H new ATOM 225 N LEU A 21 -3.763 -0.800 -0.277 1.00 0.00 N ATOM 226 CA LEU A 21 -4.554 0.295 -0.863 1.00 0.00 C ATOM 227 C LEU A 21 -5.811 -0.228 -1.554 1.00 0.00 C ATOM 228 O LEU A 21 -6.906 0.164 -1.156 1.00 0.00 O ATOM 229 CB LEU A 21 -3.674 1.133 -1.794 1.00 0.00 C ATOM 230 CG LEU A 21 -4.418 2.225 -2.559 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.788 3.410 -1.659 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.597 2.676 -3.767 1.00 0.00 C ATOM 0 H LEU A 21 -2.857 -0.917 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.903 0.946 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.882 1.595 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.192 0.469 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.357 1.802 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.315 4.162 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.431 3.065 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.881 3.847 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.138 3.455 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.638 3.068 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.429 1.827 -4.430 1.00 0.00 H new ATOM 234 N GLU A 22 -5.664 -1.264 -2.376 1.00 0.00 N ATOM 235 CA GLU A 22 -6.833 -1.910 -3.031 1.00 0.00 C ATOM 236 C GLU A 22 -7.854 -2.501 -2.031 1.00 0.00 C ATOM 237 O GLU A 22 -9.050 -2.547 -2.310 1.00 0.00 O ATOM 238 CB GLU A 22 -6.390 -2.964 -4.068 1.00 0.00 C ATOM 239 CG GLU A 22 -5.763 -4.234 -3.458 1.00 0.00 C ATOM 240 CD GLU A 22 -5.431 -5.328 -4.476 1.00 0.00 C ATOM 241 OE1 GLU A 22 -5.004 -6.424 -4.132 1.00 0.00 O ATOM 242 OE2 GLU A 22 -5.622 -5.064 -5.792 1.00 0.00 O ATOM 0 H GLU A 22 -4.764 -1.681 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.356 -1.111 -3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.254 -3.252 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.669 -2.508 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.850 -3.956 -2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.449 -4.642 -2.715 1.00 0.00 H new ATOM 245 N ASN A 23 -7.352 -2.843 -0.850 1.00 0.00 N ATOM 246 CA ASN A 23 -8.165 -3.365 0.260 1.00 0.00 C ATOM 247 C ASN A 23 -8.847 -2.218 1.046 1.00 0.00 C ATOM 248 O ASN A 23 -10.070 -2.213 1.183 1.00 0.00 O ATOM 249 CB ASN A 23 -7.268 -4.216 1.170 1.00 0.00 C ATOM 250 CG ASN A 23 -8.105 -5.177 2.015 1.00 0.00 C ATOM 251 OD1 ASN A 23 -8.822 -4.816 2.925 1.00 0.00 O ATOM 252 ND2 ASN A 23 -8.042 -6.448 1.678 1.00 0.00 N ATOM 0 H ASN A 23 -6.360 -2.768 -0.626 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.966 -3.988 -0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.559 -4.781 0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.684 -3.567 1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.598 -7.138 2.183 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.437 -6.743 0.912 1.00 0.00 H new ATOM 256 N GLU A 24 -8.071 -1.185 1.391 1.00 0.00 N ATOM 257 CA GLU A 24 -8.603 0.012 2.082 1.00 0.00 C ATOM 258 C GLU A 24 -9.620 0.784 1.224 1.00 0.00 C ATOM 259 O GLU A 24 -10.734 0.981 1.696 1.00 0.00 O ATOM 260 CB GLU A 24 -7.510 0.924 2.657 1.00 0.00 C ATOM 261 CG GLU A 24 -6.759 1.754 1.604 1.00 0.00 C ATOM 262 CD GLU A 24 -5.802 2.787 2.167 1.00 0.00 C ATOM 263 OE1 GLU A 24 -4.864 2.509 2.909 1.00 0.00 O ATOM 264 OE2 GLU A 24 -5.953 4.046 1.698 1.00 0.00 O ATOM 0 H GLU A 24 -7.069 -1.147 1.206 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.148 -0.370 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.963 1.601 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.791 0.311 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.200 1.076 0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.490 2.262 0.975 1.00 0.00 H new ATOM 267 N VAL A 25 -9.299 1.027 -0.053 1.00 0.00 N ATOM 268 CA VAL A 25 -10.170 1.664 -1.063 1.00 0.00 C ATOM 269 C VAL A 25 -11.552 0.989 -1.122 1.00 0.00 C ATOM 270 O VAL A 25 -12.561 1.684 -1.208 1.00 0.00 O ATOM 271 CB VAL A 25 -9.481 1.735 -2.442 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.390 2.197 -3.584 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.326 2.726 -2.386 1.00 0.00 C ATOM 0 H VAL A 25 -8.386 0.776 -0.432 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.343 2.694 -0.752 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.163 0.713 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.823 2.217 -4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.228 1.507 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.767 3.196 -3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.841 2.775 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.706 3.713 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.604 2.401 -1.637 1.00 0.00 H new ATOM 275 N ALA A 26 -11.566 -0.325 -0.909 1.00 0.00 N ATOM 276 CA ALA A 26 -12.806 -1.101 -0.791 1.00 0.00 C ATOM 277 C ALA A 26 -13.627 -0.618 0.428 1.00 0.00 C ATOM 278 O ALA A 26 -14.531 0.196 0.233 1.00 0.00 O ATOM 279 CB ALA A 26 -12.506 -2.598 -0.756 1.00 0.00 C ATOM 0 H ALA A 26 -10.719 -0.885 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.423 -0.933 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.439 -3.154 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.996 -2.888 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.869 -2.821 0.100 1.00 0.00 H new ATOM 281 N ARG A 27 -13.185 -0.902 1.648 1.00 0.00 N ATOM 282 CA ARG A 27 -13.850 -0.423 2.876 1.00 0.00 C ATOM 283 C ARG A 27 -14.152 1.087 2.891 1.00 0.00 C ATOM 284 O ARG A 27 -15.234 1.515 3.273 1.00 0.00 O ATOM 285 CB ARG A 27 -13.014 -0.850 4.093 1.00 0.00 C ATOM 286 CG ARG A 27 -13.722 -0.601 5.431 1.00 0.00 C ATOM 287 CD ARG A 27 -15.042 -1.377 5.556 1.00 0.00 C ATOM 288 NE ARG A 27 -15.150 -1.733 6.974 1.00 0.00 N ATOM 289 CZ ARG A 27 -16.251 -2.042 7.655 1.00 0.00 C ATOM 290 NH1 ARG A 27 -17.393 -2.367 7.081 1.00 0.00 N ATOM 291 NH2 ARG A 27 -16.315 -1.610 8.911 1.00 0.00 N ATOM 0 H ARG A 27 -12.356 -1.470 1.824 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.834 -0.889 2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.775 -1.910 4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.068 -0.309 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.059 -0.887 6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -13.920 0.465 5.540 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -15.888 -0.767 5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -15.036 -2.267 4.927 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.277 -1.745 7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -17.464 -2.391 6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -18.205 -2.595 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.544 -1.071 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.135 -1.817 9.480 1.00 0.00 H new ATOM 298 N LEU A 28 -13.225 1.852 2.309 1.00 0.00 N ATOM 299 CA LEU A 28 -13.354 3.293 2.034 1.00 0.00 C ATOM 300 C LEU A 28 -14.596 3.624 1.183 1.00 0.00 C ATOM 301 O LEU A 28 -15.513 4.290 1.661 1.00 0.00 O ATOM 302 CB LEU A 28 -12.033 3.785 1.422 1.00 0.00 C ATOM 303 CG LEU A 28 -12.127 5.095 0.644 1.00 0.00 C ATOM 304 CD1 LEU A 28 -12.348 6.286 1.579 1.00 0.00 C ATOM 305 CD2 LEU A 28 -10.865 5.332 -0.190 1.00 0.00 C ATOM 0 H LEU A 28 -12.328 1.474 2.003 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.526 3.834 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.303 3.908 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.649 3.012 0.756 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.985 5.008 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.410 7.203 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.276 6.146 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.515 6.359 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.959 6.272 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.997 5.379 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.739 4.514 -0.899 1.00 0.00 H new ATOM 307 N LYS A 29 -14.664 3.115 -0.049 1.00 0.00 N ATOM 308 CA LYS A 29 -15.834 3.356 -0.911 1.00 0.00 C ATOM 309 C LYS A 29 -17.130 2.730 -0.347 1.00 0.00 C ATOM 310 O LYS A 29 -18.213 3.244 -0.591 1.00 0.00 O ATOM 311 CB LYS A 29 -15.520 3.049 -2.381 1.00 0.00 C ATOM 312 CG LYS A 29 -16.270 1.891 -3.056 1.00 0.00 C ATOM 313 CD LYS A 29 -15.773 0.558 -2.504 1.00 0.00 C ATOM 314 CE LYS A 29 -16.313 -0.658 -3.244 1.00 0.00 C ATOM 315 NZ LYS A 29 -15.188 -1.606 -3.271 1.00 0.00 N ATOM 0 H LYS A 29 -13.936 2.540 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.057 4.423 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.713 3.953 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.452 2.844 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.341 1.990 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.118 1.927 -4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.684 0.542 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.052 0.485 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -17.177 -1.082 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.636 -0.397 -4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.409 -2.389 -3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.330 -1.118 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.028 -1.982 -2.315 1.00 0.00 H new ATOM 320 N LYS A 30 -16.993 1.715 0.517 1.00 0.00 N ATOM 321 CA LYS A 30 -18.131 1.140 1.267 1.00 0.00 C ATOM 322 C LYS A 30 -18.826 2.148 2.204 1.00 0.00 C ATOM 323 O LYS A 30 -20.021 2.005 2.484 1.00 0.00 O ATOM 324 CB LYS A 30 -17.756 -0.106 2.079 1.00 0.00 C ATOM 325 CG LYS A 30 -17.947 -1.451 1.356 1.00 0.00 C ATOM 326 CD LYS A 30 -16.678 -1.905 0.629 1.00 0.00 C ATOM 327 CE LYS A 30 -16.560 -3.429 0.477 1.00 0.00 C ATOM 328 NZ LYS A 30 -16.933 -3.846 -0.878 1.00 0.00 N ATOM 0 H LYS A 30 -16.099 1.268 0.719 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.832 0.854 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.712 -0.021 2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -18.352 -0.116 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -18.240 -2.212 2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.762 -1.363 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.654 -1.448 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.808 -1.535 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.538 -3.743 0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.204 -3.923 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.846 -4.879 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.916 -3.565 -1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.302 -3.390 -1.568 1.00 0.00 H new ATOM 333 N LEU A 31 -18.141 3.230 2.551 1.00 0.00 N ATOM 334 CA LEU A 31 -18.747 4.380 3.267 1.00 0.00 C ATOM 335 C LEU A 31 -19.851 5.101 2.445 1.00 0.00 C ATOM 336 O LEU A 31 -20.811 5.605 3.017 1.00 0.00 O ATOM 337 CB LEU A 31 -17.669 5.354 3.762 1.00 0.00 C ATOM 338 CG LEU A 31 -16.958 4.722 4.969 1.00 0.00 C ATOM 339 CD1 LEU A 31 -15.468 4.455 4.705 1.00 0.00 C ATOM 340 CD2 LEU A 31 -17.054 5.635 6.181 1.00 0.00 C ATOM 0 H LEU A 31 -17.148 3.350 2.351 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.254 3.970 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -16.953 5.562 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -18.119 6.306 4.043 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.461 3.772 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.016 4.008 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -15.365 3.773 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.965 5.394 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.545 5.172 7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.583 6.592 5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -18.102 5.797 6.433 1.00 0.00 H new ATOM 342 N VAL A 32 -19.825 4.891 1.127 1.00 0.00 N ATOM 343 CA VAL A 32 -20.863 5.375 0.179 1.00 0.00 C ATOM 344 C VAL A 32 -22.023 4.346 0.025 1.00 0.00 C ATOM 345 O VAL A 32 -22.970 4.563 -0.722 1.00 0.00 O ATOM 346 CB VAL A 32 -20.178 5.736 -1.165 1.00 0.00 C ATOM 347 CG1 VAL A 32 -21.129 6.301 -2.230 1.00 0.00 C ATOM 348 CG2 VAL A 32 -19.076 6.785 -0.959 1.00 0.00 C ATOM 0 H VAL A 32 -19.075 4.373 0.669 1.00 0.00 H new ATOM 0 HA VAL A 32 -21.336 6.276 0.571 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.780 4.786 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -20.567 6.526 -3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -21.902 5.566 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -21.594 7.213 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.613 7.019 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -19.510 7.690 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.321 6.391 -0.278 1.00 0.00 H new ATOM 350 N GLY A 33 -21.994 3.307 0.858 1.00 0.00 N ATOM 351 CA GLY A 33 -23.052 2.265 0.910 1.00 0.00 C ATOM 352 C GLY A 33 -24.089 2.567 2.006 1.00 0.00 C ATOM 353 O GLY A 33 -25.286 2.514 1.768 1.00 0.00 O ATOM 0 H GLY A 33 -21.238 3.152 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.551 2.203 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.597 1.292 1.097 1.00 0.00 H new ATOM 355 N GLU A 34 -23.571 2.888 3.197 1.00 0.00 N ATOM 356 CA GLU A 34 -24.361 3.124 4.429 1.00 0.00 C ATOM 357 C GLU A 34 -23.528 3.748 5.570 1.00 0.00 C ATOM 358 O GLU A 34 -23.374 3.177 6.649 1.00 0.00 O ATOM 359 CB GLU A 34 -25.068 1.828 4.866 1.00 0.00 C ATOM 360 CG GLU A 34 -24.117 0.621 4.995 1.00 0.00 C ATOM 361 CD GLU A 34 -24.886 -0.687 5.123 1.00 0.00 C ATOM 362 OE1 GLU A 34 -24.960 -1.315 6.167 1.00 0.00 O ATOM 363 OE2 GLU A 34 -25.432 -1.174 3.993 1.00 0.00 O ATOM 0 H GLU A 34 -22.567 2.996 3.343 1.00 0.00 H new ATOM 0 HA GLU A 34 -25.123 3.866 4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -25.559 1.997 5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -25.850 1.589 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -23.464 0.576 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -23.476 0.754 5.866 1.00 0.00 H new ATOM 366 N ARG A 35 -22.982 4.932 5.322 1.00 0.00 N ATOM 367 CA ARG A 35 -22.138 5.648 6.319 1.00 0.00 C ATOM 368 C ARG A 35 -22.809 5.766 7.712 1.00 0.00 C ATOM 369 O ARG A 35 -23.939 6.278 7.765 1.00 0.00 O ATOM 370 CB ARG A 35 -21.759 7.042 5.781 1.00 0.00 C ATOM 371 CG ARG A 35 -20.727 7.749 6.653 1.00 0.00 C ATOM 372 CD ARG A 35 -20.287 9.049 5.971 1.00 0.00 C ATOM 373 NE ARG A 35 -19.274 9.857 6.687 1.00 0.00 N ATOM 374 CZ ARG A 35 -18.007 9.529 6.964 1.00 0.00 C ATOM 375 NH1 ARG A 35 -17.649 8.346 7.409 1.00 0.00 N ATOM 376 NH2 ARG A 35 -17.062 10.197 6.326 1.00 0.00 N ATOM 377 OXT ARG A 35 -22.141 5.354 8.687 1.00 0.00 O ATOM 0 H ARG A 35 -23.099 5.433 4.441 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.238 5.051 6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -21.366 6.942 4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.656 7.658 5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -21.151 7.966 7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.866 7.101 6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -19.892 8.801 4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -21.170 9.669 5.814 1.00 0.00 H new ATOM 0 HE ARG A 35 -19.579 10.776 7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.353 7.623 7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.667 8.150 7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.315 10.925 5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.080 9.985 6.502 1.00 0.00 H new TER 384 ARG A 35