USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1006 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 85 MET CE :methyl -148:sc= -3.01! (180deg=-2.39!) USER MOD Set 1.2: A 112 MET CE :methyl 140:sc= -5.7! (180deg=-5.68!) USER MOD Set 2.1: A 58 ASN : amide:sc= -0.962 K(o=1.3,f=-8.6!) USER MOD Set 2.2: A 89 LYS NZ :NH3+ -167:sc= 2.27 (180deg=1.13) USER MOD Set 3.1: A 39 THR OG1 : rot -112:sc= 2.14 USER MOD Set 3.2: A 43 GLN : amide:sc= 0.482 K(o=2.6,f=-0.36!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.0125 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.549 K(o=-0.55,f=-2.8!) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.17 (180deg=1.03) USER MOD Single : A 19 TYR OH : rot -23:sc= -0.923 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.43 USER MOD Single : A 29 ASN : amide:sc= -2.65 K(o=-2.6,f=-5.7!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.248 K(o=-0.25,f=-3.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 118:sc= 0.193 USER MOD Single : A 71 GLN :FLIP amide:sc= -2.5 F(o=-4.6!,f=-2.5) USER MOD Single : A 74 THR OG1 : rot 150:sc= -0.081 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.083 F(o=-1.1!,f=-0.083) USER MOD Single : A 95 SER OG : rot 180:sc= 0.226 USER MOD Single : A 100 SER OG : rot 72:sc= 0.0141 USER MOD Single : A 104 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00215) USER MOD Single : A 109 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-3!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.972 -8.986 11.825 1.00 55.22 N ATOM 2 CA MET A 1 -19.655 -7.672 11.860 1.00 11.54 C ATOM 3 C MET A 1 -18.613 -6.563 11.756 1.00 31.11 C ATOM 4 O MET A 1 -17.472 -6.749 12.185 1.00 74.34 O ATOM 5 CB MET A 1 -20.458 -7.535 13.160 1.00 60.10 C ATOM 6 CG MET A 1 -21.771 -6.773 13.013 1.00 2.45 C ATOM 7 SD MET A 1 -21.551 -5.015 12.678 1.00 31.23 S ATOM 8 CE MET A 1 -23.252 -4.462 12.629 1.00 3.54 C ATOM 0 H1 MET A 1 -19.539 -9.686 12.345 1.00 55.22 H new ATOM 0 H2 MET A 1 -18.862 -9.294 10.838 1.00 55.22 H new ATOM 0 H3 MET A 1 -18.035 -8.902 12.268 1.00 55.22 H new ATOM 0 HA MET A 1 -20.345 -7.593 11.020 1.00 11.54 H new ATOM 0 HB2 MET A 1 -20.672 -8.531 13.547 1.00 60.10 H new ATOM 0 HB3 MET A 1 -19.840 -7.030 13.903 1.00 60.10 H new ATOM 0 HG2 MET A 1 -22.352 -7.218 12.205 1.00 2.45 H new ATOM 0 HG3 MET A 1 -22.354 -6.890 13.927 1.00 2.45 H new ATOM 0 HE1 MET A 1 -23.281 -3.391 12.430 1.00 3.54 H new ATOM 0 HE2 MET A 1 -23.784 -4.992 11.839 1.00 3.54 H new ATOM 0 HE3 MET A 1 -23.729 -4.666 13.588 1.00 3.54 H new ATOM 20 N HIS A 2 -19.010 -5.418 11.192 1.00 52.22 N ATOM 21 CA HIS A 2 -18.097 -4.296 10.938 1.00 72.04 C ATOM 22 C HIS A 2 -17.050 -4.714 9.918 1.00 24.31 C ATOM 23 O HIS A 2 -15.878 -4.925 10.247 1.00 50.45 O ATOM 24 CB HIS A 2 -17.417 -3.791 12.225 1.00 35.31 C ATOM 25 CG HIS A 2 -18.364 -3.325 13.292 1.00 34.32 C ATOM 26 ND1 HIS A 2 -18.918 -2.063 13.312 1.00 42.12 N ATOM 27 CD2 HIS A 2 -18.842 -3.959 14.389 1.00 14.34 C ATOM 28 CE1 HIS A 2 -19.695 -1.943 14.373 1.00 31.31 C ATOM 29 NE2 HIS A 2 -19.668 -3.079 15.042 1.00 34.34 N ATOM 0 H HIS A 2 -19.971 -5.242 10.899 1.00 52.22 H new ATOM 0 HA HIS A 2 -18.688 -3.469 10.546 1.00 72.04 H new ATOM 0 HB2 HIS A 2 -16.798 -4.591 12.631 1.00 35.31 H new ATOM 0 HB3 HIS A 2 -16.748 -2.970 11.968 1.00 35.31 H new ATOM 0 HD2 HIS A 2 -18.615 -4.970 14.694 1.00 14.34 H new ATOM 0 HE1 HIS A 2 -20.258 -1.063 14.647 1.00 31.31 H new ATOM 0 HE2 HIS A 2 -20.178 -3.272 15.904 1.00 34.34 H new ATOM 38 N ASP A 3 -17.494 -4.861 8.682 1.00 71.25 N ATOM 39 CA ASP A 3 -16.639 -5.343 7.612 1.00 42.41 C ATOM 40 C ASP A 3 -16.141 -4.187 6.759 1.00 34.11 C ATOM 41 O ASP A 3 -16.940 -3.366 6.298 1.00 21.43 O ATOM 42 CB ASP A 3 -17.401 -6.352 6.752 1.00 0.44 C ATOM 43 CG ASP A 3 -16.589 -6.861 5.579 1.00 40.41 C ATOM 44 OD1 ASP A 3 -15.634 -7.635 5.798 1.00 23.34 O ATOM 45 OD2 ASP A 3 -16.914 -6.492 4.433 1.00 51.10 O ATOM 0 H ASP A 3 -18.450 -4.651 8.393 1.00 71.25 H new ATOM 0 HA ASP A 3 -15.773 -5.836 8.053 1.00 42.41 H new ATOM 0 HB2 ASP A 3 -17.702 -7.196 7.372 1.00 0.44 H new ATOM 0 HB3 ASP A 3 -18.315 -5.888 6.380 1.00 0.44 H new ATOM 50 N ILE A 4 -14.817 -4.146 6.575 1.00 64.12 N ATOM 51 CA ILE A 4 -14.101 -3.112 5.808 1.00 4.31 C ATOM 52 C ILE A 4 -14.448 -1.683 6.241 1.00 12.33 C ATOM 53 O ILE A 4 -15.180 -1.464 7.205 1.00 70.21 O ATOM 54 CB ILE A 4 -14.266 -3.253 4.271 1.00 12.44 C ATOM 55 CG1 ILE A 4 -15.670 -2.855 3.803 1.00 3.10 C ATOM 56 CG2 ILE A 4 -13.945 -4.676 3.834 1.00 23.54 C ATOM 57 CD1 ILE A 4 -15.851 -2.923 2.302 1.00 72.02 C ATOM 0 H ILE A 4 -14.192 -4.851 6.966 1.00 64.12 H new ATOM 0 HA ILE A 4 -13.053 -3.291 6.048 1.00 4.31 H new ATOM 0 HB ILE A 4 -13.561 -2.566 3.803 1.00 12.44 H new ATOM 0 HG12 ILE A 4 -16.401 -3.509 4.279 1.00 3.10 H new ATOM 0 HG13 ILE A 4 -15.882 -1.841 4.140 1.00 3.10 H new ATOM 0 HG21 ILE A 4 -14.065 -4.761 2.754 1.00 23.54 H new ATOM 0 HG22 ILE A 4 -12.917 -4.917 4.105 1.00 23.54 H new ATOM 0 HG23 ILE A 4 -14.623 -5.371 4.330 1.00 23.54 H new ATOM 0 HD11 ILE A 4 -16.868 -2.628 2.044 1.00 72.02 H new ATOM 0 HD12 ILE A 4 -15.144 -2.248 1.819 1.00 72.02 H new ATOM 0 HD13 ILE A 4 -15.671 -3.942 1.960 1.00 72.02 H new ATOM 69 N ASP A 5 -13.890 -0.715 5.523 1.00 4.23 N ATOM 70 CA ASP A 5 -14.019 0.689 5.898 1.00 53.43 C ATOM 71 C ASP A 5 -14.778 1.482 4.845 1.00 75.22 C ATOM 72 O ASP A 5 -14.928 2.699 4.975 1.00 71.52 O ATOM 73 CB ASP A 5 -12.632 1.314 6.083 1.00 42.23 C ATOM 74 CG ASP A 5 -11.919 0.850 7.337 1.00 35.35 C ATOM 75 OD1 ASP A 5 -11.856 -0.370 7.588 1.00 22.04 O ATOM 76 OD2 ASP A 5 -11.396 1.714 8.074 1.00 10.31 O ATOM 0 H ASP A 5 -13.343 -0.876 4.677 1.00 4.23 H new ATOM 0 HA ASP A 5 -14.577 0.726 6.833 1.00 53.43 H new ATOM 0 HB2 ASP A 5 -12.017 1.075 5.216 1.00 42.23 H new ATOM 0 HB3 ASP A 5 -12.733 2.399 6.113 1.00 42.23 H new ATOM 81 N ASP A 6 -15.241 0.787 3.805 1.00 11.41 N ATOM 82 CA ASP A 6 -15.890 1.430 2.654 1.00 43.31 C ATOM 83 C ASP A 6 -14.872 2.296 1.898 1.00 20.52 C ATOM 84 O ASP A 6 -13.693 2.330 2.263 1.00 62.32 O ATOM 85 CB ASP A 6 -17.103 2.261 3.109 1.00 1.01 C ATOM 86 CG ASP A 6 -18.003 2.686 1.965 1.00 11.15 C ATOM 87 OD1 ASP A 6 -18.808 1.856 1.494 1.00 52.55 O ATOM 88 OD2 ASP A 6 -17.913 3.854 1.533 1.00 44.01 O ATOM 0 H ASP A 6 -15.179 -0.229 3.733 1.00 11.41 H new ATOM 0 HA ASP A 6 -16.256 0.659 1.976 1.00 43.31 H new ATOM 0 HB2 ASP A 6 -17.686 1.679 3.823 1.00 1.01 H new ATOM 0 HB3 ASP A 6 -16.750 3.149 3.633 1.00 1.01 H new ATOM 93 N TYR A 7 -15.310 2.978 0.848 1.00 24.12 N ATOM 94 CA TYR A 7 -14.407 3.785 0.035 1.00 44.32 C ATOM 95 C TYR A 7 -15.109 5.025 -0.521 1.00 70.03 C ATOM 96 O TYR A 7 -15.766 4.977 -1.559 1.00 70.44 O ATOM 97 CB TYR A 7 -13.789 2.948 -1.099 1.00 14.24 C ATOM 98 CG TYR A 7 -14.758 2.012 -1.803 1.00 31.11 C ATOM 99 CD1 TYR A 7 -14.990 0.730 -1.318 1.00 3.34 C ATOM 100 CD2 TYR A 7 -15.435 2.407 -2.951 1.00 72.13 C ATOM 101 CE1 TYR A 7 -15.866 -0.126 -1.956 1.00 75.31 C ATOM 102 CE2 TYR A 7 -16.312 1.555 -3.592 1.00 33.43 C ATOM 103 CZ TYR A 7 -16.524 0.291 -3.091 1.00 32.21 C ATOM 104 OH TYR A 7 -17.398 -0.560 -3.731 1.00 33.41 O ATOM 0 H TYR A 7 -16.282 2.989 0.539 1.00 24.12 H new ATOM 0 HA TYR A 7 -13.600 4.127 0.683 1.00 44.32 H new ATOM 0 HB2 TYR A 7 -13.358 3.624 -1.837 1.00 14.24 H new ATOM 0 HB3 TYR A 7 -12.969 2.358 -0.690 1.00 14.24 H new ATOM 0 HD1 TYR A 7 -14.477 0.398 -0.428 1.00 3.34 H new ATOM 0 HD2 TYR A 7 -15.272 3.398 -3.348 1.00 72.13 H new ATOM 0 HE1 TYR A 7 -16.034 -1.119 -1.566 1.00 75.31 H new ATOM 0 HE2 TYR A 7 -16.829 1.879 -4.483 1.00 33.43 H new ATOM 0 HH TYR A 7 -17.778 -0.110 -4.514 1.00 33.41 H new ATOM 114 N PRO A 8 -15.006 6.152 0.197 1.00 63.41 N ATOM 115 CA PRO A 8 -15.584 7.423 -0.218 1.00 44.12 C ATOM 116 C PRO A 8 -14.592 8.329 -0.953 1.00 23.51 C ATOM 117 O PRO A 8 -14.844 9.524 -1.130 1.00 22.42 O ATOM 118 CB PRO A 8 -15.985 8.048 1.119 1.00 15.21 C ATOM 119 CG PRO A 8 -14.980 7.543 2.106 1.00 32.32 C ATOM 120 CD PRO A 8 -14.354 6.274 1.508 1.00 34.00 C ATOM 0 HA PRO A 8 -16.401 7.290 -0.927 1.00 44.12 H new ATOM 0 HB2 PRO A 8 -15.971 9.137 1.065 1.00 15.21 H new ATOM 0 HB3 PRO A 8 -16.996 7.756 1.402 1.00 15.21 H new ATOM 0 HG2 PRO A 8 -14.215 8.296 2.296 1.00 32.32 H new ATOM 0 HG3 PRO A 8 -15.456 7.324 3.062 1.00 32.32 H new ATOM 0 HD2 PRO A 8 -13.272 6.368 1.411 1.00 34.00 H new ATOM 0 HD3 PRO A 8 -14.543 5.401 2.133 1.00 34.00 H new ATOM 128 N GLN A 9 -13.472 7.767 -1.387 1.00 43.34 N ATOM 129 CA GLN A 9 -12.453 8.551 -2.075 1.00 72.04 C ATOM 130 C GLN A 9 -11.956 7.833 -3.322 1.00 63.40 C ATOM 131 O GLN A 9 -11.764 6.617 -3.309 1.00 54.23 O ATOM 132 CB GLN A 9 -11.278 8.856 -1.135 1.00 25.31 C ATOM 133 CG GLN A 9 -10.174 9.676 -1.790 1.00 21.42 C ATOM 134 CD GLN A 9 -8.904 8.881 -2.057 1.00 62.44 C ATOM 135 OE1 GLN A 9 -7.810 9.443 -2.103 1.00 11.04 O ATOM 136 NE2 GLN A 9 -9.031 7.574 -2.233 1.00 65.12 N ATOM 0 H GLN A 9 -13.246 6.779 -1.277 1.00 43.34 H new ATOM 0 HA GLN A 9 -12.909 9.492 -2.383 1.00 72.04 H new ATOM 0 HB2 GLN A 9 -11.651 9.394 -0.263 1.00 25.31 H new ATOM 0 HB3 GLN A 9 -10.858 7.917 -0.775 1.00 25.31 H new ATOM 0 HG2 GLN A 9 -10.544 10.082 -2.732 1.00 21.42 H new ATOM 0 HG3 GLN A 9 -9.934 10.525 -1.149 1.00 21.42 H new ATOM 0 HE21 GLN A 9 -9.953 7.141 -2.188 1.00 65.12 H new ATOM 0 HE22 GLN A 9 -8.206 7.001 -2.413 1.00 65.12 H new ATOM 145 N ALA A 10 -11.731 8.597 -4.386 1.00 74.32 N ATOM 146 CA ALA A 10 -11.218 8.070 -5.635 1.00 35.21 C ATOM 147 C ALA A 10 -10.635 9.209 -6.454 1.00 43.20 C ATOM 148 O ALA A 10 -11.325 9.837 -7.261 1.00 42.04 O ATOM 149 CB ALA A 10 -12.301 7.337 -6.413 1.00 65.32 C ATOM 0 H ALA A 10 -11.902 9.603 -4.401 1.00 74.32 H new ATOM 0 HA ALA A 10 -10.434 7.344 -5.418 1.00 35.21 H new ATOM 0 HB1 ALA A 10 -11.884 6.954 -7.344 1.00 65.32 H new ATOM 0 HB2 ALA A 10 -12.679 6.507 -5.816 1.00 65.32 H new ATOM 0 HB3 ALA A 10 -13.117 8.024 -6.636 1.00 65.32 H new ATOM 155 N LYS A 11 -9.377 9.501 -6.191 1.00 2.01 N ATOM 156 CA LYS A 11 -8.678 10.600 -6.837 1.00 61.22 C ATOM 157 C LYS A 11 -7.647 10.035 -7.804 1.00 41.51 C ATOM 158 O LYS A 11 -7.522 8.816 -7.936 1.00 35.40 O ATOM 159 CB LYS A 11 -8.001 11.474 -5.766 1.00 62.24 C ATOM 160 CG LYS A 11 -7.525 12.835 -6.263 1.00 51.13 C ATOM 161 CD LYS A 11 -8.317 13.975 -5.638 1.00 31.13 C ATOM 162 CE LYS A 11 -8.082 14.070 -4.137 1.00 44.14 C ATOM 163 NZ LYS A 11 -6.667 14.403 -3.808 1.00 1.12 N ATOM 0 H LYS A 11 -8.807 8.983 -5.522 1.00 2.01 H new ATOM 0 HA LYS A 11 -9.381 11.218 -7.395 1.00 61.22 H new ATOM 0 HB2 LYS A 11 -8.701 11.627 -4.945 1.00 62.24 H new ATOM 0 HB3 LYS A 11 -7.147 10.931 -5.360 1.00 62.24 H new ATOM 0 HG2 LYS A 11 -6.467 12.957 -6.030 1.00 51.13 H new ATOM 0 HG3 LYS A 11 -7.620 12.879 -7.348 1.00 51.13 H new ATOM 0 HD2 LYS A 11 -8.034 14.916 -6.110 1.00 31.13 H new ATOM 0 HD3 LYS A 11 -9.380 13.828 -5.831 1.00 31.13 H new ATOM 0 HE2 LYS A 11 -8.740 14.830 -3.716 1.00 44.14 H new ATOM 0 HE3 LYS A 11 -8.349 13.123 -3.669 1.00 44.14 H new ATOM 0 HZ1 LYS A 11 -6.601 14.689 -2.810 1.00 1.12 H new ATOM 0 HZ2 LYS A 11 -6.067 13.569 -3.970 1.00 1.12 H new ATOM 0 HZ3 LYS A 11 -6.344 15.184 -4.414 1.00 1.12 H new ATOM 177 N ARG A 12 -6.935 10.910 -8.493 1.00 25.30 N ATOM 178 CA ARG A 12 -5.784 10.499 -9.286 1.00 53.54 C ATOM 179 C ARG A 12 -4.822 11.655 -9.562 1.00 23.05 C ATOM 180 O ARG A 12 -3.729 11.694 -9.005 1.00 61.23 O ATOM 181 CB ARG A 12 -6.204 9.828 -10.603 1.00 0.24 C ATOM 182 CG ARG A 12 -7.441 10.421 -11.261 1.00 51.01 C ATOM 183 CD ARG A 12 -7.634 9.864 -12.661 1.00 23.03 C ATOM 184 NE ARG A 12 -7.486 8.408 -12.707 1.00 54.03 N ATOM 185 CZ ARG A 12 -7.956 7.643 -13.690 1.00 43.33 C ATOM 186 NH1 ARG A 12 -8.636 8.188 -14.694 1.00 64.52 N ATOM 187 NH2 ARG A 12 -7.734 6.338 -13.668 1.00 32.45 N ATOM 0 H ARG A 12 -7.132 11.910 -8.521 1.00 25.30 H new ATOM 0 HA ARG A 12 -5.253 9.763 -8.682 1.00 53.54 H new ATOM 0 HB2 ARG A 12 -5.373 9.889 -11.305 1.00 0.24 H new ATOM 0 HB3 ARG A 12 -6.384 8.770 -10.413 1.00 0.24 H new ATOM 0 HG2 ARG A 12 -8.320 10.202 -10.655 1.00 51.01 H new ATOM 0 HG3 ARG A 12 -7.348 11.506 -11.307 1.00 51.01 H new ATOM 0 HD2 ARG A 12 -8.624 10.138 -13.025 1.00 23.03 H new ATOM 0 HD3 ARG A 12 -6.909 10.322 -13.334 1.00 23.03 H new ATOM 0 HE ARG A 12 -6.993 7.952 -11.939 1.00 54.03 H new ATOM 0 HH11 ARG A 12 -8.799 9.195 -14.713 1.00 64.52 H new ATOM 0 HH12 ARG A 12 -8.995 7.599 -15.446 1.00 64.52 H new ATOM 0 HH21 ARG A 12 -7.205 5.923 -12.901 1.00 32.45 H new ATOM 0 HH22 ARG A 12 -8.092 5.747 -14.418 1.00 32.45 H new ATOM 201 N VAL A 13 -5.249 12.610 -10.377 1.00 62.32 N ATOM 202 CA VAL A 13 -4.337 13.606 -10.950 1.00 22.24 C ATOM 203 C VAL A 13 -3.562 14.404 -9.886 1.00 45.41 C ATOM 204 O VAL A 13 -2.333 14.434 -9.928 1.00 74.24 O ATOM 205 CB VAL A 13 -5.070 14.575 -11.903 1.00 13.53 C ATOM 206 CG1 VAL A 13 -4.082 15.482 -12.618 1.00 72.10 C ATOM 207 CG2 VAL A 13 -5.911 13.799 -12.906 1.00 5.34 C ATOM 0 H VAL A 13 -6.223 12.721 -10.660 1.00 62.32 H new ATOM 0 HA VAL A 13 -3.608 13.032 -11.521 1.00 22.24 H new ATOM 0 HB VAL A 13 -5.734 15.203 -11.308 1.00 13.53 H new ATOM 0 HG11 VAL A 13 -4.622 16.155 -13.284 1.00 72.10 H new ATOM 0 HG12 VAL A 13 -3.527 16.066 -11.884 1.00 72.10 H new ATOM 0 HG13 VAL A 13 -3.388 14.876 -13.200 1.00 72.10 H new ATOM 0 HG21 VAL A 13 -6.421 14.497 -13.570 1.00 5.34 H new ATOM 0 HG22 VAL A 13 -5.266 13.145 -13.493 1.00 5.34 H new ATOM 0 HG23 VAL A 13 -6.649 13.199 -12.374 1.00 5.34 H new ATOM 217 N PRO A 14 -4.241 15.058 -8.914 1.00 63.10 N ATOM 218 CA PRO A 14 -3.558 15.841 -7.885 1.00 43.34 C ATOM 219 C PRO A 14 -3.216 15.013 -6.645 1.00 62.24 C ATOM 220 O PRO A 14 -3.196 15.532 -5.527 1.00 54.15 O ATOM 221 CB PRO A 14 -4.592 16.911 -7.548 1.00 43.43 C ATOM 222 CG PRO A 14 -5.905 16.218 -7.687 1.00 52.41 C ATOM 223 CD PRO A 14 -5.704 15.109 -8.731 1.00 35.02 C ATOM 0 HA PRO A 14 -2.599 16.232 -8.226 1.00 43.34 H new ATOM 0 HB2 PRO A 14 -4.451 17.295 -6.538 1.00 43.43 H new ATOM 0 HB3 PRO A 14 -4.518 17.762 -8.226 1.00 43.43 H new ATOM 0 HG2 PRO A 14 -6.226 15.799 -6.733 1.00 52.41 H new ATOM 0 HG3 PRO A 14 -6.680 16.915 -8.006 1.00 52.41 H new ATOM 0 HD2 PRO A 14 -6.097 14.154 -8.381 1.00 35.02 H new ATOM 0 HD3 PRO A 14 -6.216 15.341 -9.665 1.00 35.02 H new ATOM 231 N GLY A 15 -2.955 13.729 -6.845 1.00 1.23 N ATOM 232 CA GLY A 15 -2.591 12.869 -5.738 1.00 44.25 C ATOM 233 C GLY A 15 -3.771 12.101 -5.178 1.00 71.31 C ATOM 234 O GLY A 15 -4.734 12.696 -4.684 1.00 71.53 O ATOM 0 H GLY A 15 -2.989 13.268 -7.754 1.00 1.23 H new ATOM 0 HA2 GLY A 15 -1.828 12.164 -6.067 1.00 44.25 H new ATOM 0 HA3 GLY A 15 -2.147 13.472 -4.946 1.00 44.25 H new ATOM 238 N LEU A 16 -3.709 10.781 -5.269 1.00 52.54 N ATOM 239 CA LEU A 16 -4.727 9.925 -4.684 1.00 54.41 C ATOM 240 C LEU A 16 -4.087 9.002 -3.665 1.00 34.23 C ATOM 241 O LEU A 16 -2.864 8.959 -3.536 1.00 1.32 O ATOM 242 CB LEU A 16 -5.432 9.089 -5.754 1.00 3.13 C ATOM 243 CG LEU A 16 -4.695 7.828 -6.220 1.00 44.53 C ATOM 244 CD1 LEU A 16 -5.515 6.583 -5.900 1.00 70.13 C ATOM 245 CD2 LEU A 16 -4.397 7.895 -7.710 1.00 63.41 C ATOM 0 H LEU A 16 -2.960 10.278 -5.745 1.00 52.54 H new ATOM 0 HA LEU A 16 -5.470 10.560 -4.201 1.00 54.41 H new ATOM 0 HB2 LEU A 16 -6.408 8.793 -5.370 1.00 3.13 H new ATOM 0 HB3 LEU A 16 -5.610 9.723 -6.623 1.00 3.13 H new ATOM 0 HG LEU A 16 -3.748 7.770 -5.684 1.00 44.53 H new ATOM 0 HD11 LEU A 16 -4.978 5.697 -6.237 1.00 70.13 H new ATOM 0 HD12 LEU A 16 -5.678 6.521 -4.824 1.00 70.13 H new ATOM 0 HD13 LEU A 16 -6.477 6.640 -6.410 1.00 70.13 H new ATOM 0 HD21 LEU A 16 -3.874 6.990 -8.017 1.00 63.41 H new ATOM 0 HD22 LEU A 16 -5.332 7.980 -8.264 1.00 63.41 H new ATOM 0 HD23 LEU A 16 -3.772 8.763 -7.917 1.00 63.41 H new ATOM 257 N VAL A 17 -4.907 8.265 -2.947 1.00 70.23 N ATOM 258 CA VAL A 17 -4.402 7.279 -2.025 1.00 55.32 C ATOM 259 C VAL A 17 -5.376 6.120 -1.897 1.00 75.05 C ATOM 260 O VAL A 17 -6.588 6.317 -1.790 1.00 22.23 O ATOM 261 CB VAL A 17 -4.110 7.894 -0.637 1.00 72.33 C ATOM 262 CG1 VAL A 17 -5.345 8.559 -0.051 1.00 61.23 C ATOM 263 CG2 VAL A 17 -3.567 6.841 0.310 1.00 41.43 C ATOM 0 H VAL A 17 -5.924 8.332 -2.986 1.00 70.23 H new ATOM 0 HA VAL A 17 -3.460 6.905 -2.427 1.00 55.32 H new ATOM 0 HB VAL A 17 -3.352 8.666 -0.769 1.00 72.33 H new ATOM 0 HG11 VAL A 17 -5.103 8.980 0.925 1.00 61.23 H new ATOM 0 HG12 VAL A 17 -5.680 9.354 -0.717 1.00 61.23 H new ATOM 0 HG13 VAL A 17 -6.138 7.820 0.060 1.00 61.23 H new ATOM 0 HG21 VAL A 17 -3.368 7.293 1.281 1.00 41.43 H new ATOM 0 HG22 VAL A 17 -4.300 6.042 0.425 1.00 41.43 H new ATOM 0 HG23 VAL A 17 -2.643 6.429 -0.095 1.00 41.43 H new ATOM 273 N VAL A 18 -4.848 4.911 -1.967 1.00 12.33 N ATOM 274 CA VAL A 18 -5.640 3.727 -1.708 1.00 73.23 C ATOM 275 C VAL A 18 -5.220 3.120 -0.384 1.00 61.41 C ATOM 276 O VAL A 18 -4.032 2.897 -0.132 1.00 52.23 O ATOM 277 CB VAL A 18 -5.532 2.668 -2.831 1.00 4.31 C ATOM 278 CG1 VAL A 18 -6.107 3.200 -4.133 1.00 65.24 C ATOM 279 CG2 VAL A 18 -4.094 2.221 -3.041 1.00 50.43 C ATOM 0 H VAL A 18 -3.873 4.726 -2.201 1.00 12.33 H new ATOM 0 HA VAL A 18 -6.684 4.039 -1.672 1.00 73.23 H new ATOM 0 HB VAL A 18 -6.114 1.802 -2.516 1.00 4.31 H new ATOM 0 HG11 VAL A 18 -6.020 2.438 -4.907 1.00 65.24 H new ATOM 0 HG12 VAL A 18 -7.157 3.454 -3.990 1.00 65.24 H new ATOM 0 HG13 VAL A 18 -5.557 4.091 -4.437 1.00 65.24 H new ATOM 0 HG21 VAL A 18 -4.057 1.477 -3.837 1.00 50.43 H new ATOM 0 HG22 VAL A 18 -3.483 3.080 -3.318 1.00 50.43 H new ATOM 0 HG23 VAL A 18 -3.710 1.785 -2.119 1.00 50.43 H new ATOM 289 N TYR A 19 -6.185 2.885 0.475 1.00 73.32 N ATOM 290 CA TYR A 19 -5.896 2.356 1.786 1.00 63.51 C ATOM 291 C TYR A 19 -6.501 0.979 1.962 1.00 70.13 C ATOM 292 O TYR A 19 -7.343 0.546 1.174 1.00 3.11 O ATOM 293 CB TYR A 19 -6.379 3.314 2.883 1.00 23.13 C ATOM 294 CG TYR A 19 -7.817 3.755 2.736 1.00 43.13 C ATOM 295 CD1 TYR A 19 -8.856 3.012 3.281 1.00 53.21 C ATOM 296 CD2 TYR A 19 -8.132 4.924 2.056 1.00 24.34 C ATOM 297 CE1 TYR A 19 -10.167 3.420 3.149 1.00 55.22 C ATOM 298 CE2 TYR A 19 -9.440 5.337 1.921 1.00 62.53 C ATOM 299 CZ TYR A 19 -10.451 4.582 2.470 1.00 62.05 C ATOM 300 OH TYR A 19 -11.753 4.995 2.341 1.00 51.41 O ATOM 0 H TYR A 19 -7.174 3.052 0.289 1.00 73.32 H new ATOM 0 HA TYR A 19 -4.814 2.259 1.878 1.00 63.51 H new ATOM 0 HB2 TYR A 19 -6.257 2.829 3.852 1.00 23.13 H new ATOM 0 HB3 TYR A 19 -5.739 4.196 2.886 1.00 23.13 H new ATOM 0 HD1 TYR A 19 -8.634 2.101 3.816 1.00 53.21 H new ATOM 0 HD2 TYR A 19 -7.340 5.519 1.626 1.00 24.34 H new ATOM 0 HE1 TYR A 19 -10.965 2.831 3.576 1.00 55.22 H new ATOM 0 HE2 TYR A 19 -9.670 6.248 1.388 1.00 62.53 H new ATOM 0 HH TYR A 19 -12.352 4.225 2.440 1.00 51.41 H new ATOM 310 N ARG A 20 -6.030 0.293 2.984 1.00 22.33 N ATOM 311 CA ARG A 20 -6.494 -1.049 3.308 1.00 23.42 C ATOM 312 C ARG A 20 -7.988 -1.101 3.613 1.00 52.51 C ATOM 313 O ARG A 20 -8.580 -0.137 4.092 1.00 32.34 O ATOM 314 CB ARG A 20 -5.713 -1.615 4.503 1.00 53.11 C ATOM 315 CG ARG A 20 -5.226 -0.571 5.507 1.00 72.00 C ATOM 316 CD ARG A 20 -6.357 0.253 6.111 1.00 33.50 C ATOM 317 NE ARG A 20 -7.271 -0.549 6.930 1.00 41.25 N ATOM 318 CZ ARG A 20 -8.449 -0.101 7.373 1.00 63.55 C ATOM 319 NH1 ARG A 20 -8.831 1.145 7.126 1.00 12.43 N ATOM 320 NH2 ARG A 20 -9.235 -0.888 8.091 1.00 52.41 N ATOM 0 H ARG A 20 -5.313 0.648 3.617 1.00 22.33 H new ATOM 0 HA ARG A 20 -6.316 -1.658 2.422 1.00 23.42 H new ATOM 0 HB2 ARG A 20 -6.346 -2.332 5.025 1.00 53.11 H new ATOM 0 HB3 ARG A 20 -4.851 -2.166 4.127 1.00 53.11 H new ATOM 0 HG2 ARG A 20 -4.682 -1.072 6.308 1.00 72.00 H new ATOM 0 HG3 ARG A 20 -4.521 0.098 5.013 1.00 72.00 H new ATOM 0 HD2 ARG A 20 -5.933 1.050 6.722 1.00 33.50 H new ATOM 0 HD3 ARG A 20 -6.920 0.731 5.309 1.00 33.50 H new ATOM 0 HE ARG A 20 -6.993 -1.499 7.175 1.00 41.25 H new ATOM 0 HH11 ARG A 20 -8.224 1.769 6.594 1.00 12.43 H new ATOM 0 HH12 ARG A 20 -9.732 1.479 7.468 1.00 12.43 H new ATOM 0 HH21 ARG A 20 -8.942 -1.841 8.308 1.00 52.41 H new ATOM 0 HH22 ARG A 20 -10.134 -0.542 8.427 1.00 52.41 H new ATOM 334 N TYR A 21 -8.583 -2.243 3.324 1.00 42.04 N ATOM 335 CA TYR A 21 -9.935 -2.542 3.758 1.00 25.13 C ATOM 336 C TYR A 21 -9.847 -3.581 4.860 1.00 34.12 C ATOM 337 O TYR A 21 -9.117 -4.562 4.718 1.00 63.35 O ATOM 338 CB TYR A 21 -10.777 -3.081 2.598 1.00 44.35 C ATOM 339 CG TYR A 21 -10.910 -2.129 1.431 1.00 52.13 C ATOM 340 CD1 TYR A 21 -11.949 -1.209 1.373 1.00 1.51 C ATOM 341 CD2 TYR A 21 -9.999 -2.160 0.384 1.00 43.24 C ATOM 342 CE1 TYR A 21 -12.075 -0.346 0.303 1.00 33.42 C ATOM 343 CE2 TYR A 21 -10.120 -1.299 -0.691 1.00 53.21 C ATOM 344 CZ TYR A 21 -11.160 -0.395 -0.726 1.00 64.42 C ATOM 345 OH TYR A 21 -11.288 0.463 -1.795 1.00 31.01 O ATOM 0 H TYR A 21 -8.144 -2.988 2.783 1.00 42.04 H new ATOM 0 HA TYR A 21 -10.416 -1.633 4.119 1.00 25.13 H new ATOM 0 HB2 TYR A 21 -10.333 -4.012 2.244 1.00 44.35 H new ATOM 0 HB3 TYR A 21 -11.773 -3.324 2.969 1.00 44.35 H new ATOM 0 HD1 TYR A 21 -12.669 -1.168 2.177 1.00 1.51 H new ATOM 0 HD2 TYR A 21 -9.183 -2.867 0.410 1.00 43.24 H new ATOM 0 HE1 TYR A 21 -12.888 0.365 0.273 1.00 33.42 H new ATOM 0 HE2 TYR A 21 -9.404 -1.335 -1.499 1.00 53.21 H new ATOM 0 HH TYR A 21 -10.562 0.301 -2.433 1.00 31.01 H new ATOM 355 N ASP A 22 -10.549 -3.372 5.962 1.00 64.44 N ATOM 356 CA ASP A 22 -10.442 -4.293 7.083 1.00 63.13 C ATOM 357 C ASP A 22 -11.222 -5.573 6.827 1.00 24.11 C ATOM 358 O ASP A 22 -12.378 -5.713 7.229 1.00 11.24 O ATOM 359 CB ASP A 22 -10.882 -3.648 8.394 1.00 1.32 C ATOM 360 CG ASP A 22 -9.810 -3.777 9.455 1.00 44.43 C ATOM 361 OD1 ASP A 22 -8.714 -3.204 9.260 1.00 54.02 O ATOM 362 OD2 ASP A 22 -10.046 -4.451 10.480 1.00 75.10 O ATOM 0 H ASP A 22 -11.187 -2.589 6.104 1.00 64.44 H new ATOM 0 HA ASP A 22 -9.387 -4.551 7.179 1.00 63.13 H new ATOM 0 HB2 ASP A 22 -11.107 -2.595 8.227 1.00 1.32 H new ATOM 0 HB3 ASP A 22 -11.801 -4.118 8.743 1.00 1.32 H new ATOM 367 N ALA A 23 -10.584 -6.483 6.106 1.00 4.43 N ATOM 368 CA ALA A 23 -11.133 -7.796 5.847 1.00 52.31 C ATOM 369 C ALA A 23 -10.022 -8.816 5.662 1.00 53.23 C ATOM 370 O ALA A 23 -9.209 -8.692 4.750 1.00 45.14 O ATOM 371 CB ALA A 23 -12.005 -7.766 4.610 1.00 63.41 C ATOM 0 H ALA A 23 -9.668 -6.326 5.685 1.00 4.43 H new ATOM 0 HA ALA A 23 -11.738 -8.086 6.706 1.00 52.31 H new ATOM 0 HB1 ALA A 23 -12.411 -8.761 4.427 1.00 63.41 H new ATOM 0 HB2 ALA A 23 -12.823 -7.061 4.759 1.00 63.41 H new ATOM 0 HB3 ALA A 23 -11.409 -7.454 3.752 1.00 63.41 H new ATOM 377 N PRO A 24 -9.958 -9.818 6.545 1.00 1.34 N ATOM 378 CA PRO A 24 -8.976 -10.906 6.453 1.00 35.45 C ATOM 379 C PRO A 24 -9.111 -11.731 5.184 1.00 72.40 C ATOM 380 O PRO A 24 -9.920 -12.656 5.119 1.00 61.12 O ATOM 381 CB PRO A 24 -9.278 -11.779 7.676 1.00 45.33 C ATOM 382 CG PRO A 24 -9.948 -10.855 8.620 1.00 61.34 C ATOM 383 CD PRO A 24 -10.803 -9.955 7.737 1.00 10.24 C ATOM 0 HA PRO A 24 -7.961 -10.511 6.426 1.00 35.45 H new ATOM 0 HB2 PRO A 24 -9.921 -12.620 7.417 1.00 45.33 H new ATOM 0 HB3 PRO A 24 -8.366 -12.195 8.104 1.00 45.33 H new ATOM 0 HG2 PRO A 24 -10.559 -11.399 9.341 1.00 61.34 H new ATOM 0 HG3 PRO A 24 -9.222 -10.276 9.190 1.00 61.34 H new ATOM 0 HD2 PRO A 24 -11.768 -10.406 7.505 1.00 10.24 H new ATOM 0 HD3 PRO A 24 -11.006 -8.993 8.208 1.00 10.24 H new ATOM 391 N LEU A 25 -8.341 -11.379 4.168 1.00 75.41 N ATOM 392 CA LEU A 25 -8.254 -12.203 2.977 1.00 34.20 C ATOM 393 C LEU A 25 -7.000 -13.060 3.043 1.00 20.42 C ATOM 394 O LEU A 25 -6.864 -14.033 2.301 1.00 64.01 O ATOM 395 CB LEU A 25 -8.331 -11.376 1.660 1.00 24.12 C ATOM 396 CG LEU A 25 -7.231 -10.326 1.334 1.00 4.51 C ATOM 397 CD1 LEU A 25 -7.126 -9.243 2.392 1.00 24.44 C ATOM 398 CD2 LEU A 25 -5.873 -10.973 1.102 1.00 25.33 C ATOM 0 H LEU A 25 -7.771 -10.533 4.145 1.00 75.41 H new ATOM 0 HA LEU A 25 -9.127 -12.856 2.954 1.00 34.20 H new ATOM 0 HB2 LEU A 25 -8.357 -12.086 0.833 1.00 24.12 H new ATOM 0 HB3 LEU A 25 -9.287 -10.853 1.661 1.00 24.12 H new ATOM 0 HG LEU A 25 -7.544 -9.850 0.405 1.00 4.51 H new ATOM 0 HD11 LEU A 25 -6.343 -8.537 2.114 1.00 24.44 H new ATOM 0 HD12 LEU A 25 -8.078 -8.717 2.470 1.00 24.44 H new ATOM 0 HD13 LEU A 25 -6.882 -9.696 3.353 1.00 24.44 H new ATOM 0 HD21 LEU A 25 -5.136 -10.202 0.878 1.00 25.33 H new ATOM 0 HD22 LEU A 25 -5.570 -11.515 1.998 1.00 25.33 H new ATOM 0 HD23 LEU A 25 -5.939 -11.667 0.264 1.00 25.33 H new ATOM 410 N CYS A 26 -6.100 -12.686 3.963 1.00 10.43 N ATOM 411 CA CYS A 26 -4.833 -13.385 4.181 1.00 44.13 C ATOM 412 C CYS A 26 -3.925 -13.240 2.958 1.00 51.22 C ATOM 413 O CYS A 26 -2.936 -12.506 3.001 1.00 31.01 O ATOM 414 CB CYS A 26 -5.075 -14.859 4.520 1.00 23.14 C ATOM 415 SG CYS A 26 -6.269 -15.112 5.856 1.00 34.21 S ATOM 0 H CYS A 26 -6.235 -11.884 4.579 1.00 10.43 H new ATOM 0 HA CYS A 26 -4.329 -12.928 5.033 1.00 44.13 H new ATOM 0 HB2 CYS A 26 -5.428 -15.375 3.627 1.00 23.14 H new ATOM 0 HB3 CYS A 26 -4.127 -15.319 4.800 1.00 23.14 H new ATOM 0 HG CYS A 26 -6.413 -16.386 6.074 1.00 34.21 H new ATOM 421 N PHE A 27 -4.269 -13.943 1.882 1.00 24.11 N ATOM 422 CA PHE A 27 -3.635 -13.752 0.582 1.00 4.10 C ATOM 423 C PHE A 27 -4.430 -14.462 -0.509 1.00 73.55 C ATOM 424 O PHE A 27 -3.979 -14.561 -1.650 1.00 74.31 O ATOM 425 CB PHE A 27 -2.188 -14.248 0.580 1.00 73.25 C ATOM 426 CG PHE A 27 -2.036 -15.732 0.787 1.00 72.52 C ATOM 427 CD1 PHE A 27 -2.072 -16.278 2.060 1.00 71.31 C ATOM 428 CD2 PHE A 27 -1.849 -16.579 -0.295 1.00 61.22 C ATOM 429 CE1 PHE A 27 -1.926 -17.639 2.250 1.00 20.41 C ATOM 430 CE2 PHE A 27 -1.702 -17.938 -0.110 1.00 11.11 C ATOM 431 CZ PHE A 27 -1.740 -18.468 1.164 1.00 41.32 C ATOM 0 H PHE A 27 -4.994 -14.660 1.887 1.00 24.11 H new ATOM 0 HA PHE A 27 -3.624 -12.681 0.379 1.00 4.10 H new ATOM 0 HB2 PHE A 27 -1.726 -13.977 -0.369 1.00 73.25 H new ATOM 0 HB3 PHE A 27 -1.637 -13.726 1.363 1.00 73.25 H new ATOM 0 HD1 PHE A 27 -2.216 -15.632 2.914 1.00 71.31 H new ATOM 0 HD2 PHE A 27 -1.818 -16.170 -1.294 1.00 61.22 H new ATOM 0 HE1 PHE A 27 -1.958 -18.053 3.247 1.00 20.41 H new ATOM 0 HE2 PHE A 27 -1.557 -18.587 -0.961 1.00 11.11 H new ATOM 0 HZ PHE A 27 -1.624 -19.532 1.310 1.00 41.32 H new ATOM 441 N ALA A 28 -5.621 -14.935 -0.157 1.00 11.50 N ATOM 442 CA ALA A 28 -6.459 -15.666 -1.095 1.00 22.31 C ATOM 443 C ALA A 28 -6.859 -14.775 -2.260 1.00 63.35 C ATOM 444 O ALA A 28 -7.488 -13.739 -2.053 1.00 64.23 O ATOM 445 CB ALA A 28 -7.692 -16.208 -0.395 1.00 14.14 C ATOM 0 H ALA A 28 -6.026 -14.824 0.772 1.00 11.50 H new ATOM 0 HA ALA A 28 -5.885 -16.507 -1.485 1.00 22.31 H new ATOM 0 HB1 ALA A 28 -8.308 -16.752 -1.111 1.00 14.14 H new ATOM 0 HB2 ALA A 28 -7.389 -16.881 0.407 1.00 14.14 H new ATOM 0 HB3 ALA A 28 -8.266 -15.381 0.023 1.00 14.14 H new ATOM 451 N ASN A 29 -6.451 -15.184 -3.467 1.00 11.25 N ATOM 452 CA ASN A 29 -6.723 -14.466 -4.727 1.00 74.24 C ATOM 453 C ASN A 29 -6.089 -13.071 -4.735 1.00 54.41 C ATOM 454 O ASN A 29 -6.269 -12.307 -5.685 1.00 52.54 O ATOM 455 CB ASN A 29 -8.243 -14.418 -5.041 1.00 30.15 C ATOM 456 CG ASN A 29 -9.042 -13.320 -4.330 1.00 34.41 C ATOM 457 OD1 ASN A 29 -8.652 -12.156 -4.285 1.00 63.35 O ATOM 458 ND2 ASN A 29 -10.177 -13.693 -3.766 1.00 31.32 N ATOM 0 H ASN A 29 -5.912 -16.039 -3.603 1.00 11.25 H new ATOM 0 HA ASN A 29 -6.250 -15.031 -5.530 1.00 74.24 H new ATOM 0 HB2 ASN A 29 -8.368 -14.292 -6.116 1.00 30.15 H new ATOM 0 HB3 ASN A 29 -8.678 -15.383 -4.781 1.00 30.15 H new ATOM 0 HD21 ASN A 29 -10.753 -13.007 -3.278 1.00 31.32 H new ATOM 0 HD22 ASN A 29 -10.477 -14.666 -3.819 1.00 31.32 H new ATOM 465 N ALA A 30 -5.288 -12.779 -3.709 1.00 40.35 N ATOM 466 CA ALA A 30 -4.746 -11.439 -3.493 1.00 1.25 C ATOM 467 C ALA A 30 -3.754 -11.026 -4.571 1.00 20.13 C ATOM 468 O ALA A 30 -3.436 -9.846 -4.701 1.00 73.34 O ATOM 469 CB ALA A 30 -4.087 -11.351 -2.126 1.00 33.21 C ATOM 0 H ALA A 30 -4.999 -13.462 -3.008 1.00 40.35 H new ATOM 0 HA ALA A 30 -5.587 -10.747 -3.544 1.00 1.25 H new ATOM 0 HB1 ALA A 30 -3.688 -10.348 -1.979 1.00 33.21 H new ATOM 0 HB2 ALA A 30 -4.824 -11.566 -1.352 1.00 33.21 H new ATOM 0 HB3 ALA A 30 -3.276 -12.077 -2.066 1.00 33.21 H new ATOM 475 N GLU A 31 -3.262 -11.991 -5.332 1.00 32.21 N ATOM 476 CA GLU A 31 -2.328 -11.704 -6.412 1.00 61.05 C ATOM 477 C GLU A 31 -3.013 -10.849 -7.477 1.00 23.50 C ATOM 478 O GLU A 31 -2.727 -9.648 -7.622 1.00 54.41 O ATOM 479 CB GLU A 31 -1.822 -13.009 -7.028 1.00 32.02 C ATOM 480 CG GLU A 31 -0.812 -12.810 -8.148 1.00 0.02 C ATOM 481 CD GLU A 31 -0.544 -14.087 -8.915 1.00 0.31 C ATOM 482 OE1 GLU A 31 0.076 -15.012 -8.352 1.00 75.10 O ATOM 483 OE2 GLU A 31 -0.965 -14.180 -10.087 1.00 50.02 O ATOM 0 H GLU A 31 -3.493 -12.979 -5.223 1.00 32.21 H new ATOM 0 HA GLU A 31 -1.477 -11.154 -6.010 1.00 61.05 H new ATOM 0 HB2 GLU A 31 -1.367 -13.617 -6.246 1.00 32.02 H new ATOM 0 HB3 GLU A 31 -2.672 -13.571 -7.414 1.00 32.02 H new ATOM 0 HG2 GLU A 31 -1.180 -12.047 -8.834 1.00 0.02 H new ATOM 0 HG3 GLU A 31 0.123 -12.438 -7.729 1.00 0.02 H new ATOM 490 N ASP A 32 -3.950 -11.461 -8.193 1.00 41.13 N ATOM 491 CA ASP A 32 -4.676 -10.754 -9.230 1.00 0.33 C ATOM 492 C ASP A 32 -5.572 -9.701 -8.610 1.00 42.45 C ATOM 493 O ASP A 32 -5.779 -8.654 -9.195 1.00 42.31 O ATOM 494 CB ASP A 32 -5.508 -11.701 -10.094 1.00 20.33 C ATOM 495 CG ASP A 32 -6.086 -10.990 -11.303 1.00 23.14 C ATOM 496 OD1 ASP A 32 -5.367 -10.861 -12.314 1.00 54.22 O ATOM 497 OD2 ASP A 32 -7.252 -10.548 -11.247 1.00 64.14 O ATOM 0 H ASP A 32 -4.220 -12.437 -8.073 1.00 41.13 H new ATOM 0 HA ASP A 32 -3.941 -10.276 -9.877 1.00 0.33 H new ATOM 0 HB2 ASP A 32 -4.887 -12.534 -10.423 1.00 20.33 H new ATOM 0 HB3 ASP A 32 -6.317 -12.123 -9.498 1.00 20.33 H new ATOM 502 N PHE A 33 -6.081 -9.976 -7.417 1.00 61.35 N ATOM 503 CA PHE A 33 -6.900 -9.010 -6.692 1.00 24.24 C ATOM 504 C PHE A 33 -6.167 -7.680 -6.527 1.00 12.23 C ATOM 505 O PHE A 33 -6.692 -6.622 -6.884 1.00 42.51 O ATOM 506 CB PHE A 33 -7.291 -9.563 -5.317 1.00 14.24 C ATOM 507 CG PHE A 33 -7.652 -8.499 -4.321 1.00 34.44 C ATOM 508 CD1 PHE A 33 -8.826 -7.781 -4.454 1.00 23.33 C ATOM 509 CD2 PHE A 33 -6.796 -8.198 -3.269 1.00 61.52 C ATOM 510 CE1 PHE A 33 -9.149 -6.784 -3.559 1.00 70.23 C ATOM 511 CE2 PHE A 33 -7.111 -7.196 -2.373 1.00 22.34 C ATOM 512 CZ PHE A 33 -8.289 -6.489 -2.517 1.00 31.13 C ATOM 0 H PHE A 33 -5.942 -10.861 -6.929 1.00 61.35 H new ATOM 0 HA PHE A 33 -7.803 -8.835 -7.276 1.00 24.24 H new ATOM 0 HB2 PHE A 33 -8.137 -10.241 -5.434 1.00 14.24 H new ATOM 0 HB3 PHE A 33 -6.463 -10.152 -4.923 1.00 14.24 H new ATOM 0 HD1 PHE A 33 -9.498 -8.004 -5.269 1.00 23.33 H new ATOM 0 HD2 PHE A 33 -5.877 -8.752 -3.151 1.00 61.52 H new ATOM 0 HE1 PHE A 33 -10.072 -6.234 -3.671 1.00 70.23 H new ATOM 0 HE2 PHE A 33 -6.438 -6.965 -1.561 1.00 22.34 H new ATOM 0 HZ PHE A 33 -8.538 -5.706 -1.816 1.00 31.13 H new ATOM 522 N ARG A 34 -4.951 -7.742 -5.993 1.00 54.40 N ATOM 523 CA ARG A 34 -4.187 -6.538 -5.711 1.00 22.21 C ATOM 524 C ARG A 34 -3.917 -5.766 -6.993 1.00 5.12 C ATOM 525 O ARG A 34 -4.147 -4.555 -7.060 1.00 11.11 O ATOM 526 CB ARG A 34 -2.858 -6.879 -5.036 1.00 64.00 C ATOM 527 CG ARG A 34 -2.102 -5.654 -4.557 1.00 25.14 C ATOM 528 CD ARG A 34 -2.629 -5.159 -3.212 1.00 44.03 C ATOM 529 NE ARG A 34 -2.278 -6.067 -2.110 1.00 41.30 N ATOM 530 CZ ARG A 34 -2.505 -5.808 -0.813 1.00 42.21 C ATOM 531 NH1 ARG A 34 -3.137 -4.697 -0.450 1.00 32.23 N ATOM 532 NH2 ARG A 34 -2.097 -6.665 0.119 1.00 33.10 N ATOM 0 H ARG A 34 -4.477 -8.612 -5.749 1.00 54.40 H new ATOM 0 HA ARG A 34 -4.779 -5.921 -5.035 1.00 22.21 H new ATOM 0 HB2 ARG A 34 -3.047 -7.537 -4.188 1.00 64.00 H new ATOM 0 HB3 ARG A 34 -2.233 -7.433 -5.736 1.00 64.00 H new ATOM 0 HG2 ARG A 34 -1.042 -5.892 -4.468 1.00 25.14 H new ATOM 0 HG3 ARG A 34 -2.189 -4.859 -5.298 1.00 25.14 H new ATOM 0 HD2 ARG A 34 -2.224 -4.168 -3.007 1.00 44.03 H new ATOM 0 HD3 ARG A 34 -3.713 -5.055 -3.264 1.00 44.03 H new ATOM 0 HE ARG A 34 -1.832 -6.953 -2.347 1.00 41.30 H new ATOM 0 HH11 ARG A 34 -3.453 -4.035 -1.159 1.00 32.23 H new ATOM 0 HH12 ARG A 34 -3.306 -4.506 0.538 1.00 32.23 H new ATOM 0 HH21 ARG A 34 -1.611 -7.520 -0.152 1.00 33.10 H new ATOM 0 HH22 ARG A 34 -2.270 -6.467 1.105 1.00 33.10 H new ATOM 546 N ARG A 35 -3.440 -6.469 -8.014 1.00 22.03 N ATOM 547 CA ARG A 35 -3.101 -5.812 -9.268 1.00 35.41 C ATOM 548 C ARG A 35 -4.360 -5.378 -10.019 1.00 74.15 C ATOM 549 O ARG A 35 -4.353 -4.374 -10.711 1.00 12.41 O ATOM 550 CB ARG A 35 -2.235 -6.711 -10.154 1.00 31.24 C ATOM 551 CG ARG A 35 -2.941 -7.960 -10.644 1.00 62.53 C ATOM 552 CD ARG A 35 -2.061 -8.768 -11.577 1.00 73.15 C ATOM 553 NE ARG A 35 -2.749 -9.964 -12.062 1.00 4.33 N ATOM 554 CZ ARG A 35 -2.167 -11.149 -12.235 1.00 63.53 C ATOM 555 NH1 ARG A 35 -0.875 -11.308 -11.973 1.00 12.53 N ATOM 556 NH2 ARG A 35 -2.886 -12.175 -12.673 1.00 2.23 N ATOM 0 H ARG A 35 -3.282 -7.477 -7.999 1.00 22.03 H new ATOM 0 HA ARG A 35 -2.522 -4.922 -9.022 1.00 35.41 H new ATOM 0 HB2 ARG A 35 -1.896 -6.136 -11.016 1.00 31.24 H new ATOM 0 HB3 ARG A 35 -1.345 -7.004 -9.597 1.00 31.24 H new ATOM 0 HG2 ARG A 35 -3.229 -8.575 -9.791 1.00 62.53 H new ATOM 0 HG3 ARG A 35 -3.860 -7.681 -11.160 1.00 62.53 H new ATOM 0 HD2 ARG A 35 -1.763 -8.150 -12.424 1.00 73.15 H new ATOM 0 HD3 ARG A 35 -1.148 -9.058 -11.057 1.00 73.15 H new ATOM 0 HE ARG A 35 -3.742 -9.885 -12.283 1.00 4.33 H new ATOM 0 HH11 ARG A 35 -0.322 -10.520 -11.637 1.00 12.53 H new ATOM 0 HH12 ARG A 35 -0.436 -12.219 -12.108 1.00 12.53 H new ATOM 0 HH21 ARG A 35 -3.878 -12.053 -12.875 1.00 2.23 H new ATOM 0 HH22 ARG A 35 -2.446 -13.085 -12.808 1.00 2.23 H new ATOM 570 N ARG A 36 -5.446 -6.117 -9.868 1.00 23.41 N ATOM 571 CA ARG A 36 -6.673 -5.788 -10.573 1.00 63.15 C ATOM 572 C ARG A 36 -7.171 -4.415 -10.141 1.00 35.02 C ATOM 573 O ARG A 36 -7.383 -3.541 -10.971 1.00 43.53 O ATOM 574 CB ARG A 36 -7.745 -6.854 -10.332 1.00 72.34 C ATOM 575 CG ARG A 36 -8.898 -6.803 -11.322 1.00 75.41 C ATOM 576 CD ARG A 36 -8.404 -6.896 -12.761 1.00 73.23 C ATOM 577 NE ARG A 36 -7.583 -8.088 -13.004 1.00 23.10 N ATOM 578 CZ ARG A 36 -7.109 -8.429 -14.206 1.00 13.24 C ATOM 579 NH1 ARG A 36 -7.431 -7.714 -15.277 1.00 1.24 N ATOM 580 NH2 ARG A 36 -6.332 -9.498 -14.344 1.00 4.31 N ATOM 0 H ARG A 36 -5.504 -6.941 -9.270 1.00 23.41 H new ATOM 0 HA ARG A 36 -6.462 -5.763 -11.642 1.00 63.15 H new ATOM 0 HB2 ARG A 36 -7.281 -7.839 -10.380 1.00 72.34 H new ATOM 0 HB3 ARG A 36 -8.140 -6.736 -9.323 1.00 72.34 H new ATOM 0 HG2 ARG A 36 -9.589 -7.622 -11.120 1.00 75.41 H new ATOM 0 HG3 ARG A 36 -9.454 -5.876 -11.187 1.00 75.41 H new ATOM 0 HD2 ARG A 36 -9.261 -6.907 -13.435 1.00 73.23 H new ATOM 0 HD3 ARG A 36 -7.823 -6.005 -12.999 1.00 73.23 H new ATOM 0 HE ARG A 36 -7.362 -8.690 -12.211 1.00 23.10 H new ATOM 0 HH11 ARG A 36 -8.042 -6.902 -15.184 1.00 1.24 H new ATOM 0 HH12 ARG A 36 -7.068 -7.976 -16.193 1.00 1.24 H new ATOM 0 HH21 ARG A 36 -6.094 -10.064 -13.530 1.00 4.31 H new ATOM 0 HH22 ARG A 36 -5.974 -9.753 -15.264 1.00 4.31 H new ATOM 594 N ALA A 37 -7.319 -4.214 -8.840 1.00 32.10 N ATOM 595 CA ALA A 37 -7.764 -2.925 -8.337 1.00 4.23 C ATOM 596 C ALA A 37 -6.761 -1.824 -8.692 1.00 10.10 C ATOM 597 O ALA A 37 -7.064 -0.921 -9.474 1.00 53.31 O ATOM 598 CB ALA A 37 -7.978 -2.993 -6.833 1.00 44.15 C ATOM 0 H ALA A 37 -7.140 -4.917 -8.123 1.00 32.10 H new ATOM 0 HA ALA A 37 -8.713 -2.679 -8.813 1.00 4.23 H new ATOM 0 HB1 ALA A 37 -8.311 -2.021 -6.469 1.00 44.15 H new ATOM 0 HB2 ALA A 37 -8.735 -3.744 -6.607 1.00 44.15 H new ATOM 0 HB3 ALA A 37 -7.042 -3.262 -6.344 1.00 44.15 H new ATOM 604 N LEU A 38 -5.554 -1.945 -8.157 1.00 14.13 N ATOM 605 CA LEU A 38 -4.543 -0.892 -8.258 1.00 1.54 C ATOM 606 C LEU A 38 -4.050 -0.706 -9.699 1.00 11.12 C ATOM 607 O LEU A 38 -4.097 0.395 -10.255 1.00 40.33 O ATOM 608 CB LEU A 38 -3.359 -1.208 -7.327 1.00 64.42 C ATOM 609 CG LEU A 38 -3.583 -0.959 -5.821 1.00 0.35 C ATOM 610 CD1 LEU A 38 -4.791 -1.718 -5.294 1.00 31.44 C ATOM 611 CD2 LEU A 38 -2.345 -1.357 -5.033 1.00 51.40 C ATOM 0 H LEU A 38 -5.245 -2.770 -7.643 1.00 14.13 H new ATOM 0 HA LEU A 38 -5.008 0.044 -7.949 1.00 1.54 H new ATOM 0 HB2 LEU A 38 -3.088 -2.255 -7.463 1.00 64.42 H new ATOM 0 HB3 LEU A 38 -2.504 -0.613 -7.648 1.00 64.42 H new ATOM 0 HG LEU A 38 -3.774 0.106 -5.692 1.00 0.35 H new ATOM 0 HD11 LEU A 38 -4.913 -1.515 -4.230 1.00 31.44 H new ATOM 0 HD12 LEU A 38 -5.684 -1.397 -5.829 1.00 31.44 H new ATOM 0 HD13 LEU A 38 -4.643 -2.787 -5.444 1.00 31.44 H new ATOM 0 HD21 LEU A 38 -2.516 -1.177 -3.972 1.00 51.40 H new ATOM 0 HD22 LEU A 38 -2.137 -2.415 -5.192 1.00 51.40 H new ATOM 0 HD23 LEU A 38 -1.494 -0.765 -5.369 1.00 51.40 H new ATOM 623 N THR A 39 -3.590 -1.784 -10.304 1.00 74.54 N ATOM 624 CA THR A 39 -3.027 -1.723 -11.641 1.00 62.00 C ATOM 625 C THR A 39 -4.078 -1.345 -12.683 1.00 52.04 C ATOM 626 O THR A 39 -3.822 -0.499 -13.541 1.00 25.24 O ATOM 627 CB THR A 39 -2.336 -3.063 -12.007 1.00 65.20 C ATOM 628 OG1 THR A 39 -0.931 -2.976 -11.755 1.00 20.31 O ATOM 629 CG2 THR A 39 -2.571 -3.463 -13.450 1.00 33.21 C ATOM 0 H THR A 39 -3.595 -2.716 -9.890 1.00 74.54 H new ATOM 0 HA THR A 39 -2.273 -0.936 -11.644 1.00 62.00 H new ATOM 0 HB THR A 39 -2.781 -3.833 -11.377 1.00 65.20 H new ATOM 0 HG1 THR A 39 -0.444 -3.007 -12.605 1.00 20.31 H new ATOM 0 HG21 THR A 39 -2.066 -4.407 -13.653 1.00 33.21 H new ATOM 0 HG22 THR A 39 -3.640 -3.579 -13.626 1.00 33.21 H new ATOM 0 HG23 THR A 39 -2.176 -2.691 -14.110 1.00 33.21 H new ATOM 637 N VAL A 40 -5.269 -1.923 -12.592 1.00 72.01 N ATOM 638 CA VAL A 40 -6.266 -1.713 -13.623 1.00 13.04 C ATOM 639 C VAL A 40 -6.936 -0.340 -13.508 1.00 41.44 C ATOM 640 O VAL A 40 -7.546 0.135 -14.475 1.00 51.03 O ATOM 641 CB VAL A 40 -7.286 -2.876 -13.649 1.00 64.52 C ATOM 642 CG1 VAL A 40 -8.733 -2.398 -13.731 1.00 72.12 C ATOM 643 CG2 VAL A 40 -6.962 -3.805 -14.805 1.00 72.43 C ATOM 0 H VAL A 40 -5.561 -2.531 -11.827 1.00 72.01 H new ATOM 0 HA VAL A 40 -5.755 -1.712 -14.586 1.00 13.04 H new ATOM 0 HB VAL A 40 -7.197 -3.412 -12.704 1.00 64.52 H new ATOM 0 HG11 VAL A 40 -9.401 -3.260 -13.746 1.00 72.12 H new ATOM 0 HG12 VAL A 40 -8.961 -1.777 -12.864 1.00 72.12 H new ATOM 0 HG13 VAL A 40 -8.873 -1.815 -14.641 1.00 72.12 H new ATOM 0 HG21 VAL A 40 -7.680 -4.625 -14.825 1.00 72.43 H new ATOM 0 HG22 VAL A 40 -7.017 -3.252 -15.743 1.00 72.43 H new ATOM 0 HG23 VAL A 40 -5.956 -4.206 -14.679 1.00 72.43 H new ATOM 653 N VAL A 41 -6.820 0.326 -12.353 1.00 73.44 N ATOM 654 CA VAL A 41 -7.235 1.723 -12.299 1.00 75.11 C ATOM 655 C VAL A 41 -6.189 2.606 -12.986 1.00 61.12 C ATOM 656 O VAL A 41 -6.513 3.259 -13.981 1.00 5.42 O ATOM 657 CB VAL A 41 -7.573 2.260 -10.878 1.00 60.11 C ATOM 658 CG1 VAL A 41 -8.795 1.550 -10.321 1.00 13.40 C ATOM 659 CG2 VAL A 41 -6.406 2.140 -9.916 1.00 21.31 C ATOM 0 H VAL A 41 -6.458 -0.062 -11.482 1.00 73.44 H new ATOM 0 HA VAL A 41 -8.181 1.769 -12.838 1.00 75.11 H new ATOM 0 HB VAL A 41 -7.790 3.323 -10.983 1.00 60.11 H new ATOM 0 HG11 VAL A 41 -9.019 1.937 -9.327 1.00 13.40 H new ATOM 0 HG12 VAL A 41 -9.647 1.723 -10.978 1.00 13.40 H new ATOM 0 HG13 VAL A 41 -8.597 0.480 -10.258 1.00 13.40 H new ATOM 0 HG21 VAL A 41 -6.697 2.529 -8.940 1.00 21.31 H new ATOM 0 HG22 VAL A 41 -6.121 1.092 -9.818 1.00 21.31 H new ATOM 0 HG23 VAL A 41 -5.560 2.712 -10.297 1.00 21.31 H new ATOM 669 N ASP A 42 -4.929 2.588 -12.508 1.00 4.41 N ATOM 670 CA ASP A 42 -3.878 3.414 -13.131 1.00 32.14 C ATOM 671 C ASP A 42 -2.513 3.311 -12.439 1.00 23.21 C ATOM 672 O ASP A 42 -1.648 4.153 -12.683 1.00 22.44 O ATOM 673 CB ASP A 42 -4.296 4.895 -13.176 1.00 32.33 C ATOM 674 CG ASP A 42 -4.818 5.421 -11.845 1.00 35.20 C ATOM 675 OD1 ASP A 42 -4.031 5.533 -10.890 1.00 63.42 O ATOM 676 OD2 ASP A 42 -6.035 5.718 -11.759 1.00 43.22 O ATOM 0 H ASP A 42 -4.620 2.027 -11.714 1.00 4.41 H new ATOM 0 HA ASP A 42 -3.766 3.014 -14.139 1.00 32.14 H new ATOM 0 HB2 ASP A 42 -3.441 5.496 -13.485 1.00 32.33 H new ATOM 0 HB3 ASP A 42 -5.067 5.024 -13.936 1.00 32.33 H new ATOM 681 N GLN A 43 -2.276 2.278 -11.631 1.00 63.41 N ATOM 682 CA GLN A 43 -1.036 2.227 -10.849 1.00 43.42 C ATOM 683 C GLN A 43 0.202 2.000 -11.731 1.00 1.23 C ATOM 684 O GLN A 43 1.239 2.632 -11.523 1.00 0.22 O ATOM 685 CB GLN A 43 -1.104 1.158 -9.744 1.00 41.22 C ATOM 686 CG GLN A 43 -0.524 -0.198 -10.124 1.00 5.35 C ATOM 687 CD GLN A 43 -0.282 -1.094 -8.924 1.00 74.41 C ATOM 688 OE1 GLN A 43 -0.030 -0.622 -7.819 1.00 32.30 O ATOM 689 NE2 GLN A 43 -0.340 -2.397 -9.140 1.00 33.24 N ATOM 0 H GLN A 43 -2.904 1.485 -11.500 1.00 63.41 H new ATOM 0 HA GLN A 43 -0.934 3.205 -10.378 1.00 43.42 H new ATOM 0 HB2 GLN A 43 -0.575 1.530 -8.867 1.00 41.22 H new ATOM 0 HB3 GLN A 43 -2.146 1.022 -9.454 1.00 41.22 H new ATOM 0 HG2 GLN A 43 -1.204 -0.698 -10.813 1.00 5.35 H new ATOM 0 HG3 GLN A 43 0.416 -0.049 -10.656 1.00 5.35 H new ATOM 0 HE21 GLN A 43 -0.552 -2.750 -10.073 1.00 33.24 H new ATOM 0 HE22 GLN A 43 -0.172 -3.049 -8.374 1.00 33.24 H new ATOM 698 N ASP A 44 0.098 1.108 -12.714 1.00 63.24 N ATOM 699 CA ASP A 44 1.264 0.749 -13.525 1.00 31.02 C ATOM 700 C ASP A 44 1.092 1.113 -15.014 1.00 20.32 C ATOM 701 O ASP A 44 2.053 1.578 -15.629 1.00 22.32 O ATOM 702 CB ASP A 44 1.646 -0.742 -13.336 1.00 54.00 C ATOM 703 CG ASP A 44 1.121 -1.676 -14.407 1.00 60.02 C ATOM 704 OD1 ASP A 44 1.690 -1.719 -15.520 1.00 14.23 O ATOM 705 OD2 ASP A 44 0.152 -2.403 -14.123 1.00 55.10 O ATOM 0 H ASP A 44 -0.765 0.627 -12.967 1.00 63.24 H new ATOM 0 HA ASP A 44 2.095 1.353 -13.161 1.00 31.02 H new ATOM 0 HB2 ASP A 44 2.733 -0.822 -13.305 1.00 54.00 H new ATOM 0 HB3 ASP A 44 1.274 -1.077 -12.368 1.00 54.00 H new ATOM 710 N PRO A 45 -0.108 0.940 -15.636 1.00 15.42 N ATOM 711 CA PRO A 45 -0.318 1.328 -17.040 1.00 33.41 C ATOM 712 C PRO A 45 -0.459 2.841 -17.202 1.00 43.52 C ATOM 713 O PRO A 45 -0.772 3.339 -18.284 1.00 64.52 O ATOM 714 CB PRO A 45 -1.628 0.631 -17.446 1.00 32.45 C ATOM 715 CG PRO A 45 -1.987 -0.263 -16.310 1.00 25.33 C ATOM 716 CD PRO A 45 -1.325 0.339 -15.076 1.00 11.21 C ATOM 0 HA PRO A 45 0.531 1.038 -17.659 1.00 33.41 H new ATOM 0 HB2 PRO A 45 -2.416 1.360 -17.633 1.00 32.45 H new ATOM 0 HB3 PRO A 45 -1.498 0.060 -18.365 1.00 32.45 H new ATOM 0 HG2 PRO A 45 -3.068 -0.319 -16.184 1.00 25.33 H new ATOM 0 HG3 PRO A 45 -1.633 -1.279 -16.486 1.00 25.33 H new ATOM 0 HD2 PRO A 45 -1.961 1.082 -14.595 1.00 11.21 H new ATOM 0 HD3 PRO A 45 -1.097 -0.419 -14.326 1.00 11.21 H new ATOM 724 N GLY A 46 -0.236 3.562 -16.117 1.00 64.04 N ATOM 725 CA GLY A 46 -0.324 5.002 -16.146 1.00 43.51 C ATOM 726 C GLY A 46 0.712 5.641 -15.251 1.00 54.13 C ATOM 727 O GLY A 46 1.315 4.970 -14.414 1.00 64.23 O ATOM 0 H GLY A 46 0.007 3.169 -15.208 1.00 64.04 H new ATOM 0 HA2 GLY A 46 -0.190 5.355 -17.169 1.00 43.51 H new ATOM 0 HA3 GLY A 46 -1.320 5.313 -15.830 1.00 43.51 H new ATOM 731 N GLN A 47 0.933 6.929 -15.435 1.00 33.04 N ATOM 732 CA GLN A 47 1.867 7.668 -14.603 1.00 23.33 C ATOM 733 C GLN A 47 1.112 8.718 -13.807 1.00 41.54 C ATOM 734 O GLN A 47 0.731 9.761 -14.335 1.00 15.41 O ATOM 735 CB GLN A 47 2.959 8.311 -15.457 1.00 62.22 C ATOM 736 CG GLN A 47 4.021 9.035 -14.650 1.00 14.04 C ATOM 737 CD GLN A 47 5.214 9.417 -15.494 1.00 41.21 C ATOM 738 OE1 GLN A 47 5.253 10.494 -16.085 1.00 33.03 O ATOM 739 NE2 GLN A 47 6.195 8.534 -15.562 1.00 42.11 N ATOM 0 H GLN A 47 0.477 7.488 -16.156 1.00 33.04 H new ATOM 0 HA GLN A 47 2.352 6.980 -13.911 1.00 23.33 H new ATOM 0 HB2 GLN A 47 3.437 7.539 -16.060 1.00 62.22 H new ATOM 0 HB3 GLN A 47 2.498 9.016 -16.149 1.00 62.22 H new ATOM 0 HG2 GLN A 47 3.589 9.932 -14.206 1.00 14.04 H new ATOM 0 HG3 GLN A 47 4.348 8.398 -13.828 1.00 14.04 H new ATOM 0 HE21 GLN A 47 6.123 7.651 -15.056 1.00 42.11 H new ATOM 0 HE22 GLN A 47 7.024 8.735 -16.121 1.00 42.11 H new ATOM 748 N VAL A 48 0.883 8.427 -12.540 1.00 71.34 N ATOM 749 CA VAL A 48 0.041 9.263 -11.703 1.00 30.54 C ATOM 750 C VAL A 48 0.667 9.435 -10.317 1.00 61.03 C ATOM 751 O VAL A 48 1.469 8.604 -9.887 1.00 44.21 O ATOM 752 CB VAL A 48 -1.377 8.644 -11.597 1.00 52.25 C ATOM 753 CG1 VAL A 48 -1.315 7.243 -11.007 1.00 50.12 C ATOM 754 CG2 VAL A 48 -2.312 9.527 -10.792 1.00 45.53 C ATOM 0 H VAL A 48 1.271 7.612 -12.065 1.00 71.34 H new ATOM 0 HA VAL A 48 -0.044 10.250 -12.158 1.00 30.54 H new ATOM 0 HB VAL A 48 -1.780 8.572 -12.607 1.00 52.25 H new ATOM 0 HG11 VAL A 48 -2.322 6.830 -10.943 1.00 50.12 H new ATOM 0 HG12 VAL A 48 -0.702 6.606 -11.645 1.00 50.12 H new ATOM 0 HG13 VAL A 48 -0.877 7.287 -10.010 1.00 50.12 H new ATOM 0 HG21 VAL A 48 -3.296 9.062 -10.739 1.00 45.53 H new ATOM 0 HG22 VAL A 48 -1.916 9.654 -9.785 1.00 45.53 H new ATOM 0 HG23 VAL A 48 -2.397 10.501 -11.273 1.00 45.53 H new ATOM 764 N GLU A 49 0.325 10.527 -9.646 1.00 41.32 N ATOM 765 CA GLU A 49 0.830 10.801 -8.311 1.00 53.03 C ATOM 766 C GLU A 49 -0.124 10.234 -7.270 1.00 43.53 C ATOM 767 O GLU A 49 -1.302 10.602 -7.234 1.00 51.00 O ATOM 768 CB GLU A 49 0.988 12.308 -8.111 1.00 73.44 C ATOM 769 CG GLU A 49 1.584 12.686 -6.767 1.00 11.33 C ATOM 770 CD GLU A 49 1.676 14.184 -6.578 1.00 4.24 C ATOM 771 OE1 GLU A 49 2.607 14.806 -7.136 1.00 64.45 O ATOM 772 OE2 GLU A 49 0.817 14.752 -5.875 1.00 20.30 O ATOM 0 H GLU A 49 -0.305 11.242 -10.010 1.00 41.32 H new ATOM 0 HA GLU A 49 1.804 10.326 -8.195 1.00 53.03 H new ATOM 0 HB2 GLU A 49 1.621 12.706 -8.904 1.00 73.44 H new ATOM 0 HB3 GLU A 49 0.012 12.783 -8.212 1.00 73.44 H new ATOM 0 HG2 GLU A 49 0.976 12.259 -5.970 1.00 11.33 H new ATOM 0 HG3 GLU A 49 2.579 12.249 -6.678 1.00 11.33 H new ATOM 779 N TRP A 50 0.371 9.333 -6.431 1.00 52.15 N ATOM 780 CA TRP A 50 -0.475 8.707 -5.425 1.00 11.11 C ATOM 781 C TRP A 50 0.344 7.906 -4.433 1.00 40.54 C ATOM 782 O TRP A 50 1.573 7.910 -4.486 1.00 30.14 O ATOM 783 CB TRP A 50 -1.526 7.806 -6.079 1.00 20.34 C ATOM 784 CG TRP A 50 -0.983 6.595 -6.782 1.00 23.02 C ATOM 785 CD1 TRP A 50 -0.284 6.562 -7.953 1.00 23.11 C ATOM 786 CD2 TRP A 50 -1.128 5.235 -6.364 1.00 51.41 C ATOM 787 NE1 TRP A 50 0.028 5.265 -8.281 1.00 11.25 N ATOM 788 CE2 TRP A 50 -0.481 4.432 -7.320 1.00 41.04 C ATOM 789 CE3 TRP A 50 -1.734 4.616 -5.267 1.00 51.45 C ATOM 790 CZ2 TRP A 50 -0.420 3.046 -7.209 1.00 33.31 C ATOM 791 CZ3 TRP A 50 -1.679 3.241 -5.164 1.00 51.44 C ATOM 792 CH2 TRP A 50 -1.025 2.470 -6.129 1.00 64.35 C ATOM 0 H TRP A 50 1.343 9.022 -6.427 1.00 52.15 H new ATOM 0 HA TRP A 50 -0.982 9.507 -4.885 1.00 11.11 H new ATOM 0 HB2 TRP A 50 -2.227 7.477 -5.312 1.00 20.34 H new ATOM 0 HB3 TRP A 50 -2.094 8.399 -6.796 1.00 20.34 H new ATOM 0 HD1 TRP A 50 -0.015 7.430 -8.537 1.00 23.11 H new ATOM 0 HE1 TRP A 50 0.553 4.971 -9.105 1.00 11.25 H new ATOM 0 HE3 TRP A 50 -2.237 5.204 -4.513 1.00 51.45 H new ATOM 0 HZ2 TRP A 50 0.088 2.447 -7.951 1.00 33.31 H new ATOM 0 HZ3 TRP A 50 -2.149 2.752 -4.323 1.00 51.44 H new ATOM 0 HH2 TRP A 50 -0.998 1.396 -6.018 1.00 64.35 H new ATOM 803 N PHE A 51 -0.341 7.232 -3.518 1.00 41.33 N ATOM 804 CA PHE A 51 0.331 6.396 -2.544 1.00 5.01 C ATOM 805 C PHE A 51 -0.618 5.397 -1.899 1.00 24.12 C ATOM 806 O PHE A 51 -1.838 5.537 -1.969 1.00 54.52 O ATOM 807 CB PHE A 51 1.028 7.253 -1.486 1.00 60.42 C ATOM 808 CG PHE A 51 0.127 8.147 -0.678 1.00 72.52 C ATOM 809 CD1 PHE A 51 -0.401 9.305 -1.223 1.00 34.02 C ATOM 810 CD2 PHE A 51 -0.163 7.840 0.640 1.00 51.23 C ATOM 811 CE1 PHE A 51 -1.203 10.139 -0.472 1.00 74.04 C ATOM 812 CE2 PHE A 51 -0.968 8.668 1.395 1.00 2.32 C ATOM 813 CZ PHE A 51 -1.489 9.821 0.839 1.00 12.51 C ATOM 0 H PHE A 51 -1.357 7.251 -3.434 1.00 41.33 H new ATOM 0 HA PHE A 51 1.088 5.820 -3.075 1.00 5.01 H new ATOM 0 HB2 PHE A 51 1.562 6.592 -0.803 1.00 60.42 H new ATOM 0 HB3 PHE A 51 1.776 7.872 -1.981 1.00 60.42 H new ATOM 0 HD1 PHE A 51 -0.182 9.559 -2.250 1.00 34.02 H new ATOM 0 HD2 PHE A 51 0.245 6.943 1.082 1.00 51.23 H new ATOM 0 HE1 PHE A 51 -1.606 11.040 -0.910 1.00 74.04 H new ATOM 0 HE2 PHE A 51 -1.191 8.415 2.421 1.00 2.32 H new ATOM 0 HZ PHE A 51 -2.118 10.471 1.429 1.00 12.51 H new ATOM 823 N VAL A 52 -0.033 4.363 -1.308 1.00 34.02 N ATOM 824 CA VAL A 52 -0.786 3.337 -0.597 1.00 63.02 C ATOM 825 C VAL A 52 -0.716 3.592 0.906 1.00 53.55 C ATOM 826 O VAL A 52 0.342 3.961 1.422 1.00 51.34 O ATOM 827 CB VAL A 52 -0.232 1.930 -0.898 1.00 5.44 C ATOM 828 CG1 VAL A 52 -1.146 0.853 -0.337 1.00 13.42 C ATOM 829 CG2 VAL A 52 -0.025 1.741 -2.393 1.00 74.43 C ATOM 0 H VAL A 52 0.976 4.212 -1.308 1.00 34.02 H new ATOM 0 HA VAL A 52 -1.821 3.384 -0.936 1.00 63.02 H new ATOM 0 HB VAL A 52 0.736 1.836 -0.406 1.00 5.44 H new ATOM 0 HG11 VAL A 52 -0.732 -0.130 -0.563 1.00 13.42 H new ATOM 0 HG12 VAL A 52 -1.228 0.972 0.743 1.00 13.42 H new ATOM 0 HG13 VAL A 52 -2.134 0.943 -0.788 1.00 13.42 H new ATOM 0 HG21 VAL A 52 0.366 0.742 -2.583 1.00 74.43 H new ATOM 0 HG22 VAL A 52 -0.977 1.862 -2.910 1.00 74.43 H new ATOM 0 HG23 VAL A 52 0.684 2.484 -2.759 1.00 74.43 H new ATOM 839 N LEU A 53 -1.823 3.392 1.607 1.00 53.11 N ATOM 840 CA LEU A 53 -1.898 3.748 3.016 1.00 14.42 C ATOM 841 C LEU A 53 -2.459 2.595 3.853 1.00 54.35 C ATOM 842 O LEU A 53 -3.532 2.066 3.566 1.00 1.15 O ATOM 843 CB LEU A 53 -2.762 5.004 3.159 1.00 15.23 C ATOM 844 CG LEU A 53 -2.654 5.754 4.484 1.00 15.21 C ATOM 845 CD1 LEU A 53 -2.978 7.222 4.267 1.00 3.11 C ATOM 846 CD2 LEU A 53 -3.589 5.157 5.522 1.00 41.31 C ATOM 0 H LEU A 53 -2.678 2.987 1.225 1.00 53.11 H new ATOM 0 HA LEU A 53 -0.895 3.950 3.391 1.00 14.42 H new ATOM 0 HB2 LEU A 53 -2.501 5.692 2.355 1.00 15.23 H new ATOM 0 HB3 LEU A 53 -3.804 4.721 3.011 1.00 15.23 H new ATOM 0 HG LEU A 53 -1.634 5.661 4.856 1.00 15.21 H new ATOM 0 HD11 LEU A 53 -2.900 7.756 5.214 1.00 3.11 H new ATOM 0 HD12 LEU A 53 -2.274 7.648 3.552 1.00 3.11 H new ATOM 0 HD13 LEU A 53 -3.992 7.317 3.879 1.00 3.11 H new ATOM 0 HD21 LEU A 53 -3.494 5.708 6.457 1.00 41.31 H new ATOM 0 HD22 LEU A 53 -4.617 5.222 5.166 1.00 41.31 H new ATOM 0 HD23 LEU A 53 -3.328 4.112 5.689 1.00 41.31 H new ATOM 858 N ASN A 54 -1.709 2.195 4.873 1.00 61.31 N ATOM 859 CA ASN A 54 -2.160 1.166 5.805 1.00 64.35 C ATOM 860 C ASN A 54 -1.793 1.564 7.230 1.00 2.13 C ATOM 861 O ASN A 54 -0.770 1.131 7.752 1.00 52.24 O ATOM 862 CB ASN A 54 -1.522 -0.196 5.486 1.00 62.41 C ATOM 863 CG ASN A 54 -1.676 -0.613 4.033 1.00 50.01 C ATOM 864 OD1 ASN A 54 -2.652 -1.260 3.659 1.00 72.23 O ATOM 865 ND2 ASN A 54 -0.704 -0.252 3.205 1.00 3.24 N ATOM 0 H ASN A 54 -0.782 2.569 5.077 1.00 61.31 H new ATOM 0 HA ASN A 54 -3.242 1.076 5.705 1.00 64.35 H new ATOM 0 HB2 ASN A 54 -0.461 -0.158 5.734 1.00 62.41 H new ATOM 0 HB3 ASN A 54 -1.972 -0.957 6.124 1.00 62.41 H new ATOM 0 HD21 ASN A 54 -0.751 -0.511 2.220 1.00 3.24 H new ATOM 0 HD22 ASN A 54 0.090 0.285 3.554 1.00 3.24 H new ATOM 872 N ALA A 55 -2.611 2.393 7.863 1.00 11.14 N ATOM 873 CA ALA A 55 -2.257 2.928 9.176 1.00 55.13 C ATOM 874 C ALA A 55 -3.334 2.661 10.222 1.00 31.01 C ATOM 875 O ALA A 55 -3.050 2.648 11.418 1.00 4.31 O ATOM 876 CB ALA A 55 -1.987 4.420 9.076 1.00 1.14 C ATOM 0 H ALA A 55 -3.510 2.707 7.499 1.00 11.14 H new ATOM 0 HA ALA A 55 -1.354 2.412 9.502 1.00 55.13 H new ATOM 0 HB1 ALA A 55 -1.724 4.809 10.060 1.00 1.14 H new ATOM 0 HB2 ALA A 55 -1.163 4.595 8.384 1.00 1.14 H new ATOM 0 HB3 ALA A 55 -2.880 4.928 8.712 1.00 1.14 H new ATOM 882 N GLU A 56 -4.555 2.443 9.768 1.00 30.23 N ATOM 883 CA GLU A 56 -5.698 2.293 10.658 1.00 34.42 C ATOM 884 C GLU A 56 -5.634 0.972 11.441 1.00 12.23 C ATOM 885 O GLU A 56 -4.982 0.894 12.483 1.00 23.50 O ATOM 886 CB GLU A 56 -7.007 2.403 9.860 1.00 61.43 C ATOM 887 CG GLU A 56 -7.050 3.596 8.913 1.00 34.11 C ATOM 888 CD GLU A 56 -6.515 3.275 7.524 1.00 62.33 C ATOM 889 OE1 GLU A 56 -5.305 2.973 7.389 1.00 52.40 O ATOM 890 OE2 GLU A 56 -7.312 3.293 6.564 1.00 35.14 O ATOM 0 H GLU A 56 -4.784 2.365 8.777 1.00 30.23 H new ATOM 0 HA GLU A 56 -5.668 3.100 11.390 1.00 34.42 H new ATOM 0 HB2 GLU A 56 -7.149 1.488 9.284 1.00 61.43 H new ATOM 0 HB3 GLU A 56 -7.842 2.474 10.557 1.00 61.43 H new ATOM 0 HG2 GLU A 56 -8.078 3.948 8.828 1.00 34.11 H new ATOM 0 HG3 GLU A 56 -6.468 4.413 9.340 1.00 34.11 H new ATOM 897 N SER A 57 -6.283 -0.069 10.938 1.00 30.44 N ATOM 898 CA SER A 57 -6.257 -1.362 11.606 1.00 10.21 C ATOM 899 C SER A 57 -5.436 -2.353 10.792 1.00 53.40 C ATOM 900 O SER A 57 -4.253 -2.550 11.067 1.00 0.21 O ATOM 901 CB SER A 57 -7.674 -1.891 11.824 1.00 23.03 C ATOM 902 OG SER A 57 -8.460 -0.969 12.559 1.00 35.21 O ATOM 0 H SER A 57 -6.829 -0.044 10.077 1.00 30.44 H new ATOM 0 HA SER A 57 -5.791 -1.237 12.583 1.00 10.21 H new ATOM 0 HB2 SER A 57 -8.144 -2.086 10.860 1.00 23.03 H new ATOM 0 HB3 SER A 57 -7.632 -2.841 12.356 1.00 23.03 H new ATOM 0 HG SER A 57 -9.362 -1.333 12.682 1.00 35.21 H new ATOM 908 N ASN A 58 -6.081 -2.951 9.785 1.00 61.24 N ATOM 909 CA ASN A 58 -5.431 -3.829 8.800 1.00 11.34 C ATOM 910 C ASN A 58 -4.517 -4.873 9.435 1.00 21.44 C ATOM 911 O ASN A 58 -3.464 -5.196 8.890 1.00 73.24 O ATOM 912 CB ASN A 58 -4.659 -3.017 7.738 1.00 22.43 C ATOM 913 CG ASN A 58 -3.489 -2.201 8.274 1.00 43.42 C ATOM 914 OD1 ASN A 58 -2.375 -2.698 8.407 1.00 32.51 O ATOM 915 ND2 ASN A 58 -3.732 -0.928 8.562 1.00 24.55 N ATOM 0 H ASN A 58 -7.082 -2.839 9.627 1.00 61.24 H new ATOM 0 HA ASN A 58 -6.241 -4.370 8.310 1.00 11.34 H new ATOM 0 HB2 ASN A 58 -4.285 -3.704 6.979 1.00 22.43 H new ATOM 0 HB3 ASN A 58 -5.356 -2.342 7.242 1.00 22.43 H new ATOM 0 HD21 ASN A 58 -2.980 -0.330 8.906 1.00 24.55 H new ATOM 0 HD22 ASN A 58 -4.670 -0.548 8.440 1.00 24.55 H new ATOM 922 N VAL A 59 -4.927 -5.441 10.558 1.00 0.11 N ATOM 923 CA VAL A 59 -4.098 -6.445 11.207 1.00 34.24 C ATOM 924 C VAL A 59 -4.588 -7.855 10.905 1.00 64.40 C ATOM 925 O VAL A 59 -3.789 -8.776 10.766 1.00 0.45 O ATOM 926 CB VAL A 59 -4.003 -6.257 12.734 1.00 62.21 C ATOM 927 CG1 VAL A 59 -3.497 -4.869 13.088 1.00 15.22 C ATOM 928 CG2 VAL A 59 -5.335 -6.527 13.421 1.00 21.03 C ATOM 0 H VAL A 59 -5.807 -5.231 11.030 1.00 0.11 H new ATOM 0 HA VAL A 59 -3.100 -6.308 10.791 1.00 34.24 H new ATOM 0 HB VAL A 59 -3.284 -6.990 13.100 1.00 62.21 H new ATOM 0 HG11 VAL A 59 -3.441 -4.768 14.172 1.00 15.22 H new ATOM 0 HG12 VAL A 59 -2.506 -4.722 12.658 1.00 15.22 H new ATOM 0 HG13 VAL A 59 -4.180 -4.120 12.688 1.00 15.22 H new ATOM 0 HG21 VAL A 59 -5.226 -6.384 14.496 1.00 21.03 H new ATOM 0 HG22 VAL A 59 -6.088 -5.838 13.038 1.00 21.03 H new ATOM 0 HG23 VAL A 59 -5.646 -7.552 13.221 1.00 21.03 H new ATOM 938 N GLU A 60 -5.896 -8.019 10.774 1.00 51.05 N ATOM 939 CA GLU A 60 -6.469 -9.331 10.545 1.00 2.45 C ATOM 940 C GLU A 60 -6.554 -9.570 9.057 1.00 14.43 C ATOM 941 O GLU A 60 -6.642 -10.700 8.586 1.00 11.41 O ATOM 942 CB GLU A 60 -7.866 -9.392 11.154 1.00 74.13 C ATOM 943 CG GLU A 60 -7.910 -8.989 12.617 1.00 55.34 C ATOM 944 CD GLU A 60 -9.317 -8.755 13.113 1.00 52.10 C ATOM 945 OE1 GLU A 60 -10.018 -9.742 13.417 1.00 23.20 O ATOM 946 OE2 GLU A 60 -9.730 -7.579 13.202 1.00 72.12 O ATOM 0 H GLU A 60 -6.576 -7.261 10.823 1.00 51.05 H new ATOM 0 HA GLU A 60 -5.845 -10.095 11.008 1.00 2.45 H new ATOM 0 HB2 GLU A 60 -8.529 -8.740 10.586 1.00 74.13 H new ATOM 0 HB3 GLU A 60 -8.253 -10.406 11.053 1.00 74.13 H new ATOM 0 HG2 GLU A 60 -7.441 -9.768 13.219 1.00 55.34 H new ATOM 0 HG3 GLU A 60 -7.323 -8.081 12.758 1.00 55.34 H new ATOM 953 N VAL A 61 -6.485 -8.473 8.329 1.00 52.21 N ATOM 954 CA VAL A 61 -6.813 -8.456 6.924 1.00 50.11 C ATOM 955 C VAL A 61 -5.727 -9.101 6.076 1.00 21.10 C ATOM 956 O VAL A 61 -6.023 -9.817 5.119 1.00 33.51 O ATOM 957 CB VAL A 61 -7.084 -7.005 6.440 1.00 53.04 C ATOM 958 CG1 VAL A 61 -7.837 -6.234 7.508 1.00 5.05 C ATOM 959 CG2 VAL A 61 -5.807 -6.265 6.062 1.00 51.01 C ATOM 0 H VAL A 61 -6.198 -7.567 8.700 1.00 52.21 H new ATOM 0 HA VAL A 61 -7.721 -9.046 6.800 1.00 50.11 H new ATOM 0 HB VAL A 61 -7.691 -7.075 5.538 1.00 53.04 H new ATOM 0 HG11 VAL A 61 -8.023 -5.218 7.160 1.00 5.05 H new ATOM 0 HG12 VAL A 61 -8.787 -6.727 7.711 1.00 5.05 H new ATOM 0 HG13 VAL A 61 -7.242 -6.202 8.421 1.00 5.05 H new ATOM 0 HG21 VAL A 61 -6.055 -5.257 5.731 1.00 51.01 H new ATOM 0 HG22 VAL A 61 -5.148 -6.211 6.928 1.00 51.01 H new ATOM 0 HG23 VAL A 61 -5.303 -6.798 5.256 1.00 51.01 H new ATOM 969 N ASP A 62 -4.482 -8.905 6.464 1.00 61.24 N ATOM 970 CA ASP A 62 -3.379 -9.198 5.572 1.00 43.24 C ATOM 971 C ASP A 62 -2.342 -10.082 6.250 1.00 1.30 C ATOM 972 O ASP A 62 -1.831 -9.746 7.318 1.00 45.12 O ATOM 973 CB ASP A 62 -2.753 -7.879 5.121 1.00 30.22 C ATOM 974 CG ASP A 62 -1.844 -8.029 3.907 1.00 71.11 C ATOM 975 OD1 ASP A 62 -0.981 -8.937 3.904 1.00 44.51 O ATOM 976 OD2 ASP A 62 -2.000 -7.241 2.942 1.00 70.52 O ATOM 0 H ASP A 62 -4.211 -8.548 7.380 1.00 61.24 H new ATOM 0 HA ASP A 62 -3.751 -9.746 4.706 1.00 43.24 H new ATOM 0 HB2 ASP A 62 -3.546 -7.169 4.887 1.00 30.22 H new ATOM 0 HB3 ASP A 62 -2.180 -7.456 5.946 1.00 30.22 H new ATOM 981 N LEU A 63 -2.049 -11.216 5.623 1.00 24.34 N ATOM 982 CA LEU A 63 -1.127 -12.196 6.185 1.00 73.04 C ATOM 983 C LEU A 63 0.029 -12.482 5.226 1.00 62.35 C ATOM 984 O LEU A 63 1.192 -12.471 5.624 1.00 61.42 O ATOM 985 CB LEU A 63 -1.877 -13.491 6.516 1.00 71.14 C ATOM 986 CG LEU A 63 -2.384 -13.614 7.959 1.00 5.32 C ATOM 987 CD1 LEU A 63 -3.234 -12.421 8.362 1.00 74.52 C ATOM 988 CD2 LEU A 63 -3.170 -14.900 8.134 1.00 72.42 C ATOM 0 H LEU A 63 -2.440 -11.480 4.719 1.00 24.34 H new ATOM 0 HA LEU A 63 -0.706 -11.782 7.101 1.00 73.04 H new ATOM 0 HB2 LEU A 63 -2.729 -13.579 5.842 1.00 71.14 H new ATOM 0 HB3 LEU A 63 -1.218 -14.334 6.308 1.00 71.14 H new ATOM 0 HG LEU A 63 -1.512 -13.635 8.613 1.00 5.32 H new ATOM 0 HD11 LEU A 63 -3.573 -12.547 9.390 1.00 74.52 H new ATOM 0 HD12 LEU A 63 -2.642 -11.509 8.284 1.00 74.52 H new ATOM 0 HD13 LEU A 63 -4.098 -12.350 7.701 1.00 74.52 H new ATOM 0 HD21 LEU A 63 -3.523 -14.973 9.163 1.00 72.42 H new ATOM 0 HD22 LEU A 63 -4.024 -14.900 7.456 1.00 72.42 H new ATOM 0 HD23 LEU A 63 -2.528 -15.752 7.909 1.00 72.42 H new ATOM 1000 N THR A 64 -0.292 -12.754 3.967 1.00 54.14 N ATOM 1001 CA THR A 64 0.728 -12.981 2.945 1.00 62.15 C ATOM 1002 C THR A 64 0.441 -12.088 1.734 1.00 12.41 C ATOM 1003 O THR A 64 1.143 -12.101 0.702 1.00 43.45 O ATOM 1004 CB THR A 64 0.762 -14.467 2.527 1.00 1.42 C ATOM 1005 OG1 THR A 64 0.661 -15.296 3.693 1.00 71.35 O ATOM 1006 CG2 THR A 64 2.045 -14.808 1.782 1.00 4.20 C ATOM 0 H THR A 64 -1.251 -12.823 3.627 1.00 54.14 H new ATOM 0 HA THR A 64 1.706 -12.727 3.355 1.00 62.15 H new ATOM 0 HB THR A 64 -0.081 -14.647 1.860 1.00 1.42 H new ATOM 0 HG1 THR A 64 -0.152 -15.841 3.638 1.00 71.35 H new ATOM 0 HG21 THR A 64 2.035 -15.862 1.503 1.00 4.20 H new ATOM 0 HG22 THR A 64 2.118 -14.195 0.883 1.00 4.20 H new ATOM 0 HG23 THR A 64 2.903 -14.611 2.425 1.00 4.20 H new ATOM 1014 N ALA A 65 -0.589 -11.272 1.881 1.00 31.24 N ATOM 1015 CA ALA A 65 -0.978 -10.372 0.830 1.00 45.01 C ATOM 1016 C ALA A 65 0.058 -9.273 0.682 1.00 51.25 C ATOM 1017 O ALA A 65 0.140 -8.648 -0.367 1.00 64.44 O ATOM 1018 CB ALA A 65 -2.364 -9.802 1.086 1.00 72.20 C ATOM 0 H ALA A 65 -1.165 -11.221 2.721 1.00 31.24 H new ATOM 0 HA ALA A 65 -1.027 -10.925 -0.108 1.00 45.01 H new ATOM 0 HB1 ALA A 65 -2.634 -9.124 0.276 1.00 72.20 H new ATOM 0 HB2 ALA A 65 -3.088 -10.615 1.136 1.00 72.20 H new ATOM 0 HB3 ALA A 65 -2.365 -9.257 2.030 1.00 72.20 H new ATOM 1024 N LEU A 66 0.850 -9.039 1.737 1.00 14.14 N ATOM 1025 CA LEU A 66 1.993 -8.137 1.627 1.00 43.22 C ATOM 1026 C LEU A 66 3.108 -8.754 0.816 1.00 34.22 C ATOM 1027 O LEU A 66 3.993 -8.048 0.364 1.00 5.02 O ATOM 1028 CB LEU A 66 2.556 -7.637 2.979 1.00 23.14 C ATOM 1029 CG LEU A 66 3.142 -8.650 4.005 1.00 25.24 C ATOM 1030 CD1 LEU A 66 2.085 -9.610 4.517 1.00 74.42 C ATOM 1031 CD2 LEU A 66 4.334 -9.426 3.449 1.00 43.11 C ATOM 0 H LEU A 66 0.720 -9.456 2.659 1.00 14.14 H new ATOM 0 HA LEU A 66 1.595 -7.261 1.114 1.00 43.22 H new ATOM 0 HB2 LEU A 66 3.340 -6.914 2.755 1.00 23.14 H new ATOM 0 HB3 LEU A 66 1.756 -7.094 3.482 1.00 23.14 H new ATOM 0 HG LEU A 66 3.500 -8.051 4.843 1.00 25.24 H new ATOM 0 HD11 LEU A 66 2.535 -10.300 5.231 1.00 74.42 H new ATOM 0 HD12 LEU A 66 1.290 -9.048 5.008 1.00 74.42 H new ATOM 0 HD13 LEU A 66 1.669 -10.173 3.681 1.00 74.42 H new ATOM 0 HD21 LEU A 66 4.703 -10.118 4.206 1.00 43.11 H new ATOM 0 HD22 LEU A 66 4.024 -9.986 2.566 1.00 43.11 H new ATOM 0 HD23 LEU A 66 5.127 -8.729 3.177 1.00 43.11 H new ATOM 1043 N ASP A 67 3.098 -10.067 0.662 1.00 14.24 N ATOM 1044 CA ASP A 67 4.087 -10.709 -0.184 1.00 64.22 C ATOM 1045 C ASP A 67 3.780 -10.324 -1.610 1.00 73.02 C ATOM 1046 O ASP A 67 4.623 -9.760 -2.316 1.00 20.22 O ATOM 1047 CB ASP A 67 4.070 -12.228 -0.018 1.00 23.23 C ATOM 1048 CG ASP A 67 5.085 -12.920 -0.907 1.00 11.11 C ATOM 1049 OD1 ASP A 67 6.258 -13.038 -0.497 1.00 1.21 O ATOM 1050 OD2 ASP A 67 4.710 -13.367 -2.010 1.00 61.24 O ATOM 0 H ASP A 67 2.429 -10.699 1.103 1.00 14.24 H new ATOM 0 HA ASP A 67 5.086 -10.378 0.099 1.00 64.22 H new ATOM 0 HB2 ASP A 67 4.273 -12.479 1.023 1.00 23.23 H new ATOM 0 HB3 ASP A 67 3.073 -12.604 -0.248 1.00 23.23 H new ATOM 1055 N ALA A 68 2.530 -10.575 -2.000 1.00 32.15 N ATOM 1056 CA ALA A 68 2.049 -10.155 -3.318 1.00 63.01 C ATOM 1057 C ALA A 68 2.153 -8.633 -3.463 1.00 4.45 C ATOM 1058 O ALA A 68 2.628 -8.109 -4.480 1.00 4.21 O ATOM 1059 CB ALA A 68 0.613 -10.615 -3.528 1.00 63.33 C ATOM 0 H ALA A 68 1.838 -11.062 -1.430 1.00 32.15 H new ATOM 0 HA ALA A 68 2.675 -10.617 -4.081 1.00 63.01 H new ATOM 0 HB1 ALA A 68 0.269 -10.296 -4.512 1.00 63.33 H new ATOM 0 HB2 ALA A 68 0.566 -11.702 -3.462 1.00 63.33 H new ATOM 0 HB3 ALA A 68 -0.025 -10.177 -2.761 1.00 63.33 H new ATOM 1065 N LEU A 69 1.726 -7.931 -2.421 1.00 32.14 N ATOM 1066 CA LEU A 69 1.765 -6.480 -2.392 1.00 72.55 C ATOM 1067 C LEU A 69 3.203 -5.986 -2.520 1.00 62.44 C ATOM 1068 O LEU A 69 3.452 -4.989 -3.188 1.00 14.24 O ATOM 1069 CB LEU A 69 1.108 -5.976 -1.091 1.00 53.54 C ATOM 1070 CG LEU A 69 0.926 -4.461 -0.920 1.00 53.02 C ATOM 1071 CD1 LEU A 69 2.147 -3.840 -0.267 1.00 34.53 C ATOM 1072 CD2 LEU A 69 0.628 -3.787 -2.255 1.00 20.34 C ATOM 0 H LEU A 69 1.344 -8.354 -1.575 1.00 32.14 H new ATOM 0 HA LEU A 69 1.205 -6.081 -3.238 1.00 72.55 H new ATOM 0 HB2 LEU A 69 0.126 -6.442 -1.009 1.00 53.54 H new ATOM 0 HB3 LEU A 69 1.704 -6.338 -0.253 1.00 53.54 H new ATOM 0 HG LEU A 69 0.069 -4.302 -0.265 1.00 53.02 H new ATOM 0 HD11 LEU A 69 1.994 -2.766 -0.157 1.00 34.53 H new ATOM 0 HD12 LEU A 69 2.302 -4.287 0.715 1.00 34.53 H new ATOM 0 HD13 LEU A 69 3.023 -4.020 -0.890 1.00 34.53 H new ATOM 0 HD21 LEU A 69 0.504 -2.715 -2.102 1.00 20.34 H new ATOM 0 HD22 LEU A 69 1.455 -3.962 -2.943 1.00 20.34 H new ATOM 0 HD23 LEU A 69 -0.288 -4.202 -2.675 1.00 20.34 H new ATOM 1084 N ASP A 70 4.140 -6.702 -1.904 1.00 50.33 N ATOM 1085 CA ASP A 70 5.550 -6.324 -1.947 1.00 63.22 C ATOM 1086 C ASP A 70 6.029 -6.243 -3.368 1.00 71.34 C ATOM 1087 O ASP A 70 6.439 -5.186 -3.821 1.00 44.44 O ATOM 1088 CB ASP A 70 6.440 -7.329 -1.222 1.00 55.31 C ATOM 1089 CG ASP A 70 7.862 -6.823 -1.090 1.00 53.03 C ATOM 1090 OD1 ASP A 70 8.649 -6.970 -2.051 1.00 14.20 O ATOM 1091 OD2 ASP A 70 8.188 -6.246 -0.034 1.00 62.52 O ATOM 0 H ASP A 70 3.948 -7.549 -1.368 1.00 50.33 H new ATOM 0 HA ASP A 70 5.621 -5.356 -1.452 1.00 63.22 H new ATOM 0 HB2 ASP A 70 6.031 -7.529 -0.232 1.00 55.31 H new ATOM 0 HB3 ASP A 70 6.439 -8.274 -1.765 1.00 55.31 H new ATOM 1096 N GLN A 71 5.961 -7.368 -4.071 1.00 35.13 N ATOM 1097 CA GLN A 71 6.492 -7.440 -5.425 1.00 61.11 C ATOM 1098 C GLN A 71 5.872 -6.351 -6.296 1.00 43.53 C ATOM 1099 O GLN A 71 6.538 -5.779 -7.163 1.00 52.45 O ATOM 1100 CB GLN A 71 6.271 -8.834 -6.030 1.00 75.42 C ATOM 1101 CG GLN A 71 4.828 -9.147 -6.400 1.00 12.21 C ATOM 1102 CD GLN A 71 4.368 -10.497 -5.883 1.00 21.35 C ATOM 1103 OE1 GLN A 71 4.792 -10.852 -4.681 1.00 53.55 O flip ATOM 1104 NE2 GLN A 71 3.585 -11.188 -6.533 1.00 44.13 N flip ATOM 0 H GLN A 71 5.547 -8.235 -3.729 1.00 35.13 H new ATOM 0 HA GLN A 71 7.568 -7.270 -5.384 1.00 61.11 H new ATOM 0 HB2 GLN A 71 6.889 -8.930 -6.923 1.00 75.42 H new ATOM 0 HB3 GLN A 71 6.620 -9.583 -5.319 1.00 75.42 H new ATOM 0 HG2 GLN A 71 4.178 -8.369 -5.999 1.00 12.21 H new ATOM 0 HG3 GLN A 71 4.722 -9.123 -7.485 1.00 12.21 H new ATOM 0 HE21 GLN A 71 3.280 -10.881 -7.457 1.00 44.13 H new ATOM 0 HE22 GLN A 71 3.240 -12.068 -6.148 1.00 44.13 H new ATOM 1113 N LEU A 72 4.609 -6.034 -6.030 1.00 43.11 N ATOM 1114 CA LEU A 72 3.926 -4.987 -6.773 1.00 31.33 C ATOM 1115 C LEU A 72 4.411 -3.591 -6.371 1.00 22.20 C ATOM 1116 O LEU A 72 4.992 -2.886 -7.187 1.00 51.34 O ATOM 1117 CB LEU A 72 2.415 -5.106 -6.603 1.00 3.41 C ATOM 1118 CG LEU A 72 1.822 -6.410 -7.139 1.00 71.11 C ATOM 1119 CD1 LEU A 72 0.305 -6.358 -7.111 1.00 64.51 C ATOM 1120 CD2 LEU A 72 2.327 -6.689 -8.548 1.00 72.54 C ATOM 0 H LEU A 72 4.043 -6.484 -5.311 1.00 43.11 H new ATOM 0 HA LEU A 72 4.169 -5.122 -7.827 1.00 31.33 H new ATOM 0 HB2 LEU A 72 2.172 -5.018 -5.544 1.00 3.41 H new ATOM 0 HB3 LEU A 72 1.937 -4.268 -7.110 1.00 3.41 H new ATOM 0 HG LEU A 72 2.147 -7.226 -6.493 1.00 71.11 H new ATOM 0 HD11 LEU A 72 -0.098 -7.295 -7.496 1.00 64.51 H new ATOM 0 HD12 LEU A 72 -0.035 -6.211 -6.086 1.00 64.51 H new ATOM 0 HD13 LEU A 72 -0.042 -5.531 -7.731 1.00 64.51 H new ATOM 0 HD21 LEU A 72 1.894 -7.621 -8.912 1.00 72.54 H new ATOM 0 HD22 LEU A 72 2.036 -5.872 -9.207 1.00 72.54 H new ATOM 0 HD23 LEU A 72 3.414 -6.775 -8.535 1.00 72.54 H new ATOM 1132 N ARG A 73 4.203 -3.190 -5.117 1.00 54.35 N ATOM 1133 CA ARG A 73 4.555 -1.829 -4.704 1.00 71.11 C ATOM 1134 C ARG A 73 6.062 -1.607 -4.758 1.00 13.13 C ATOM 1135 O ARG A 73 6.528 -0.501 -4.999 1.00 42.40 O ATOM 1136 CB ARG A 73 3.992 -1.483 -3.316 1.00 0.23 C ATOM 1137 CG ARG A 73 4.432 -2.398 -2.182 1.00 52.43 C ATOM 1138 CD ARG A 73 5.578 -1.815 -1.370 1.00 54.50 C ATOM 1139 NE ARG A 73 5.710 -2.489 -0.073 1.00 33.41 N ATOM 1140 CZ ARG A 73 6.593 -3.455 0.184 1.00 45.25 C ATOM 1141 NH1 ARG A 73 7.465 -3.820 -0.734 1.00 22.34 N ATOM 1142 NH2 ARG A 73 6.608 -4.058 1.365 1.00 42.25 N ATOM 0 H ARG A 73 3.801 -3.773 -4.382 1.00 54.35 H new ATOM 0 HA ARG A 73 4.089 -1.149 -5.417 1.00 71.11 H new ATOM 0 HB2 ARG A 73 4.284 -0.462 -3.069 1.00 0.23 H new ATOM 0 HB3 ARG A 73 2.903 -1.499 -3.371 1.00 0.23 H new ATOM 0 HG2 ARG A 73 3.584 -2.587 -1.523 1.00 52.43 H new ATOM 0 HG3 ARG A 73 4.736 -3.360 -2.594 1.00 52.43 H new ATOM 0 HD2 ARG A 73 6.509 -1.912 -1.929 1.00 54.50 H new ATOM 0 HD3 ARG A 73 5.410 -0.750 -1.213 1.00 54.50 H new ATOM 0 HE ARG A 73 5.086 -2.200 0.681 1.00 33.41 H new ATOM 0 HH11 ARG A 73 7.467 -3.363 -1.646 1.00 22.34 H new ATOM 0 HH12 ARG A 73 8.138 -4.559 -0.533 1.00 22.34 H new ATOM 0 HH21 ARG A 73 5.941 -3.784 2.086 1.00 42.25 H new ATOM 0 HH22 ARG A 73 7.287 -4.796 1.552 1.00 42.25 H new ATOM 1156 N THR A 74 6.826 -2.655 -4.552 1.00 25.45 N ATOM 1157 CA THR A 74 8.258 -2.572 -4.727 1.00 33.05 C ATOM 1158 C THR A 74 8.578 -2.213 -6.171 1.00 30.54 C ATOM 1159 O THR A 74 8.918 -1.065 -6.479 1.00 32.24 O ATOM 1160 CB THR A 74 8.958 -3.901 -4.350 1.00 60.15 C ATOM 1161 OG1 THR A 74 8.954 -4.072 -2.931 1.00 13.01 O ATOM 1162 CG2 THR A 74 10.385 -3.954 -4.870 1.00 15.11 C ATOM 0 H THR A 74 6.482 -3.571 -4.264 1.00 25.45 H new ATOM 0 HA THR A 74 8.633 -1.796 -4.060 1.00 33.05 H new ATOM 0 HB THR A 74 8.400 -4.712 -4.819 1.00 60.15 H new ATOM 0 HG1 THR A 74 8.932 -5.028 -2.717 1.00 13.01 H new ATOM 0 HG21 THR A 74 10.841 -4.902 -4.585 1.00 15.11 H new ATOM 0 HG22 THR A 74 10.380 -3.866 -5.956 1.00 15.11 H new ATOM 0 HG23 THR A 74 10.959 -3.132 -4.442 1.00 15.11 H new ATOM 1170 N GLU A 75 8.370 -3.174 -7.055 1.00 2.51 N ATOM 1171 CA GLU A 75 8.871 -3.084 -8.409 1.00 63.33 C ATOM 1172 C GLU A 75 8.084 -2.075 -9.240 1.00 3.10 C ATOM 1173 O GLU A 75 8.658 -1.350 -10.047 1.00 24.44 O ATOM 1174 CB GLU A 75 8.827 -4.472 -9.049 1.00 3.52 C ATOM 1175 CG GLU A 75 9.591 -4.555 -10.359 1.00 15.55 C ATOM 1176 CD GLU A 75 11.043 -4.152 -10.202 1.00 30.41 C ATOM 1177 OE1 GLU A 75 11.356 -2.954 -10.348 1.00 4.43 O ATOM 1178 OE2 GLU A 75 11.882 -5.032 -9.926 1.00 33.31 O ATOM 0 H GLU A 75 7.853 -4.030 -6.854 1.00 2.51 H new ATOM 0 HA GLU A 75 9.901 -2.727 -8.378 1.00 63.33 H new ATOM 0 HB2 GLU A 75 9.239 -5.200 -8.350 1.00 3.52 H new ATOM 0 HB3 GLU A 75 7.788 -4.751 -9.224 1.00 3.52 H new ATOM 0 HG2 GLU A 75 9.538 -5.573 -10.744 1.00 15.55 H new ATOM 0 HG3 GLU A 75 9.114 -3.910 -11.097 1.00 15.55 H new ATOM 1185 N LEU A 76 6.780 -2.009 -9.018 1.00 51.34 N ATOM 1186 CA LEU A 76 5.910 -1.175 -9.842 1.00 43.35 C ATOM 1187 C LEU A 76 5.748 0.232 -9.270 1.00 21.30 C ATOM 1188 O LEU A 76 5.619 1.195 -10.026 1.00 25.13 O ATOM 1189 CB LEU A 76 4.528 -1.825 -10.018 1.00 51.23 C ATOM 1190 CG LEU A 76 4.466 -3.050 -10.947 1.00 73.02 C ATOM 1191 CD1 LEU A 76 5.217 -4.234 -10.355 1.00 50.44 C ATOM 1192 CD2 LEU A 76 3.020 -3.428 -11.224 1.00 31.21 C ATOM 0 H LEU A 76 6.300 -2.520 -8.277 1.00 51.34 H new ATOM 0 HA LEU A 76 6.393 -1.089 -10.815 1.00 43.35 H new ATOM 0 HB2 LEU A 76 4.161 -2.122 -9.035 1.00 51.23 H new ATOM 0 HB3 LEU A 76 3.841 -1.070 -10.400 1.00 51.23 H new ATOM 0 HG LEU A 76 4.950 -2.783 -11.886 1.00 73.02 H new ATOM 0 HD11 LEU A 76 5.154 -5.083 -11.036 1.00 50.44 H new ATOM 0 HD12 LEU A 76 6.263 -3.965 -10.207 1.00 50.44 H new ATOM 0 HD13 LEU A 76 4.773 -4.504 -9.397 1.00 50.44 H new ATOM 0 HD21 LEU A 76 2.991 -4.296 -11.882 1.00 31.21 H new ATOM 0 HD22 LEU A 76 2.520 -3.667 -10.285 1.00 31.21 H new ATOM 0 HD23 LEU A 76 2.511 -2.592 -11.703 1.00 31.21 H new ATOM 1204 N LEU A 77 5.761 0.374 -7.947 1.00 73.01 N ATOM 1205 CA LEU A 77 5.498 1.671 -7.343 1.00 0.21 C ATOM 1206 C LEU A 77 6.768 2.526 -7.312 1.00 45.53 C ATOM 1207 O LEU A 77 6.697 3.750 -7.247 1.00 10.02 O ATOM 1208 CB LEU A 77 4.883 1.478 -5.947 1.00 25.44 C ATOM 1209 CG LEU A 77 4.541 2.727 -5.145 1.00 21.44 C ATOM 1210 CD1 LEU A 77 3.353 2.431 -4.243 1.00 12.22 C ATOM 1211 CD2 LEU A 77 5.732 3.163 -4.306 1.00 72.33 C ATOM 0 H LEU A 77 5.948 -0.380 -7.286 1.00 73.01 H new ATOM 0 HA LEU A 77 4.775 2.215 -7.951 1.00 0.21 H new ATOM 0 HB2 LEU A 77 3.971 0.892 -6.060 1.00 25.44 H new ATOM 0 HB3 LEU A 77 5.575 0.879 -5.356 1.00 25.44 H new ATOM 0 HG LEU A 77 4.289 3.535 -5.832 1.00 21.44 H new ATOM 0 HD11 LEU A 77 3.103 3.322 -3.666 1.00 12.22 H new ATOM 0 HD12 LEU A 77 2.497 2.141 -4.852 1.00 12.22 H new ATOM 0 HD13 LEU A 77 3.606 1.618 -3.563 1.00 12.22 H new ATOM 0 HD21 LEU A 77 5.470 4.057 -3.739 1.00 72.33 H new ATOM 0 HD22 LEU A 77 6.004 2.363 -3.617 1.00 72.33 H new ATOM 0 HD23 LEU A 77 6.577 3.382 -4.959 1.00 72.33 H new ATOM 1223 N ARG A 78 7.938 1.894 -7.403 1.00 41.33 N ATOM 1224 CA ARG A 78 9.191 2.654 -7.465 1.00 72.15 C ATOM 1225 C ARG A 78 9.459 3.156 -8.893 1.00 23.10 C ATOM 1226 O ARG A 78 10.579 3.546 -9.224 1.00 54.25 O ATOM 1227 CB ARG A 78 10.365 1.794 -6.982 1.00 15.24 C ATOM 1228 CG ARG A 78 10.764 0.684 -7.948 1.00 63.11 C ATOM 1229 CD ARG A 78 11.831 -0.204 -7.338 1.00 24.30 C ATOM 1230 NE ARG A 78 12.269 -1.267 -8.238 1.00 30.30 N ATOM 1231 CZ ARG A 78 13.485 -1.813 -8.199 1.00 21.25 C ATOM 1232 NH1 ARG A 78 14.423 -1.307 -7.403 1.00 55.33 N ATOM 1233 NH2 ARG A 78 13.772 -2.837 -8.989 1.00 32.05 N ATOM 0 H ARG A 78 8.047 0.880 -7.435 1.00 41.33 H new ATOM 0 HA ARG A 78 9.093 3.518 -6.808 1.00 72.15 H new ATOM 0 HB2 ARG A 78 11.227 2.439 -6.811 1.00 15.24 H new ATOM 0 HB3 ARG A 78 10.104 1.349 -6.022 1.00 15.24 H new ATOM 0 HG2 ARG A 78 9.889 0.086 -8.203 1.00 63.11 H new ATOM 0 HG3 ARG A 78 11.134 1.119 -8.876 1.00 63.11 H new ATOM 0 HD2 ARG A 78 12.690 0.407 -7.061 1.00 24.30 H new ATOM 0 HD3 ARG A 78 11.446 -0.648 -6.420 1.00 24.30 H new ATOM 0 HE ARG A 78 11.608 -1.611 -8.935 1.00 30.30 H new ATOM 0 HH11 ARG A 78 14.214 -0.498 -6.819 1.00 55.33 H new ATOM 0 HH12 ARG A 78 15.351 -1.728 -7.377 1.00 55.33 H new ATOM 0 HH21 ARG A 78 13.064 -3.205 -9.624 1.00 32.05 H new ATOM 0 HH22 ARG A 78 14.701 -3.257 -8.962 1.00 32.05 H new ATOM 1247 N ARG A 79 8.423 3.166 -9.728 1.00 72.32 N ATOM 1248 CA ARG A 79 8.581 3.487 -11.146 1.00 45.43 C ATOM 1249 C ARG A 79 8.020 4.865 -11.508 1.00 23.40 C ATOM 1250 O ARG A 79 8.101 5.282 -12.663 1.00 62.35 O ATOM 1251 CB ARG A 79 7.898 2.415 -11.999 1.00 11.32 C ATOM 1252 CG ARG A 79 8.562 1.051 -11.903 1.00 50.33 C ATOM 1253 CD ARG A 79 9.923 1.046 -12.575 1.00 51.42 C ATOM 1254 NE ARG A 79 9.808 1.288 -14.010 1.00 53.40 N ATOM 1255 CZ ARG A 79 10.559 2.156 -14.684 1.00 23.42 C ATOM 1256 NH1 ARG A 79 11.506 2.851 -14.064 1.00 42.14 N ATOM 1257 NH2 ARG A 79 10.357 2.332 -15.982 1.00 43.20 N ATOM 0 H ARG A 79 7.465 2.956 -9.448 1.00 72.32 H new ATOM 0 HA ARG A 79 9.651 3.510 -11.351 1.00 45.43 H new ATOM 0 HB2 ARG A 79 6.856 2.326 -11.691 1.00 11.32 H new ATOM 0 HB3 ARG A 79 7.896 2.737 -13.040 1.00 11.32 H new ATOM 0 HG2 ARG A 79 8.671 0.771 -10.855 1.00 50.33 H new ATOM 0 HG3 ARG A 79 7.923 0.300 -12.368 1.00 50.33 H new ATOM 0 HD2 ARG A 79 10.556 1.811 -12.125 1.00 51.42 H new ATOM 0 HD3 ARG A 79 10.412 0.087 -12.404 1.00 51.42 H new ATOM 0 HE ARG A 79 9.108 0.758 -14.529 1.00 53.40 H new ATOM 0 HH11 ARG A 79 11.662 2.721 -13.064 1.00 42.14 H new ATOM 0 HH12 ARG A 79 12.077 3.514 -14.588 1.00 42.14 H new ATOM 0 HH21 ARG A 79 9.628 1.803 -16.461 1.00 43.20 H new ATOM 0 HH22 ARG A 79 10.930 2.996 -16.502 1.00 43.20 H new ATOM 1271 N GLY A 80 7.458 5.575 -10.542 1.00 32.41 N ATOM 1272 CA GLY A 80 6.880 6.872 -10.841 1.00 71.00 C ATOM 1273 C GLY A 80 6.688 7.726 -9.609 1.00 63.43 C ATOM 1274 O GLY A 80 7.248 7.432 -8.553 1.00 11.33 O ATOM 0 H GLY A 80 7.391 5.283 -9.567 1.00 32.41 H new ATOM 0 HA2 GLY A 80 7.524 7.398 -11.545 1.00 71.00 H new ATOM 0 HA3 GLY A 80 5.918 6.731 -11.333 1.00 71.00 H new ATOM 1278 N ILE A 81 5.887 8.779 -9.738 1.00 55.32 N ATOM 1279 CA ILE A 81 5.608 9.677 -8.623 1.00 33.31 C ATOM 1280 C ILE A 81 4.526 9.075 -7.710 1.00 2.11 C ATOM 1281 O ILE A 81 3.402 9.572 -7.565 1.00 1.03 O ATOM 1282 CB ILE A 81 5.222 11.097 -9.121 1.00 61.44 C ATOM 1283 CG1 ILE A 81 4.959 12.043 -7.941 1.00 41.24 C ATOM 1284 CG2 ILE A 81 4.027 11.049 -10.065 1.00 73.41 C ATOM 1285 CD1 ILE A 81 6.168 12.276 -7.059 1.00 74.12 C ATOM 0 H ILE A 81 5.418 9.032 -10.608 1.00 55.32 H new ATOM 0 HA ILE A 81 6.519 9.788 -8.034 1.00 33.31 H new ATOM 0 HB ILE A 81 6.069 11.491 -9.683 1.00 61.44 H new ATOM 0 HG12 ILE A 81 4.613 13.002 -8.327 1.00 41.24 H new ATOM 0 HG13 ILE A 81 4.152 11.634 -7.333 1.00 41.24 H new ATOM 0 HG21 ILE A 81 3.783 12.059 -10.395 1.00 73.41 H new ATOM 0 HG22 ILE A 81 4.272 10.434 -10.931 1.00 73.41 H new ATOM 0 HG23 ILE A 81 3.170 10.620 -9.546 1.00 73.41 H new ATOM 0 HD11 ILE A 81 5.902 12.955 -6.249 1.00 74.12 H new ATOM 0 HD12 ILE A 81 6.503 11.326 -6.642 1.00 74.12 H new ATOM 0 HD13 ILE A 81 6.971 12.715 -7.651 1.00 74.12 H new ATOM 1297 N VAL A 82 4.886 7.966 -7.109 1.00 1.34 N ATOM 1298 CA VAL A 82 3.998 7.248 -6.228 1.00 41.33 C ATOM 1299 C VAL A 82 4.798 6.632 -5.094 1.00 35.51 C ATOM 1300 O VAL A 82 5.932 6.189 -5.287 1.00 62.01 O ATOM 1301 CB VAL A 82 3.199 6.161 -6.989 1.00 61.34 C ATOM 1302 CG1 VAL A 82 4.105 5.335 -7.889 1.00 12.20 C ATOM 1303 CG2 VAL A 82 2.445 5.267 -6.019 1.00 15.50 C ATOM 0 H VAL A 82 5.804 7.536 -7.218 1.00 1.34 H new ATOM 0 HA VAL A 82 3.274 7.952 -5.818 1.00 41.33 H new ATOM 0 HB VAL A 82 2.473 6.668 -7.624 1.00 61.34 H new ATOM 0 HG11 VAL A 82 3.513 4.581 -8.408 1.00 12.20 H new ATOM 0 HG12 VAL A 82 4.584 5.987 -8.619 1.00 12.20 H new ATOM 0 HG13 VAL A 82 4.868 4.844 -7.285 1.00 12.20 H new ATOM 0 HG21 VAL A 82 1.891 4.511 -6.576 1.00 15.50 H new ATOM 0 HG22 VAL A 82 3.153 4.778 -5.349 1.00 15.50 H new ATOM 0 HG23 VAL A 82 1.749 5.869 -5.435 1.00 15.50 H new ATOM 1313 N PHE A 83 4.224 6.651 -3.904 1.00 52.32 N ATOM 1314 CA PHE A 83 4.864 6.076 -2.740 1.00 43.33 C ATOM 1315 C PHE A 83 3.876 5.207 -1.982 1.00 63.23 C ATOM 1316 O PHE A 83 2.785 4.921 -2.468 1.00 45.14 O ATOM 1317 CB PHE A 83 5.417 7.172 -1.829 1.00 52.14 C ATOM 1318 CG PHE A 83 6.598 7.899 -2.398 1.00 64.34 C ATOM 1319 CD1 PHE A 83 7.879 7.407 -2.211 1.00 32.41 C ATOM 1320 CD2 PHE A 83 6.429 9.073 -3.111 1.00 21.11 C ATOM 1321 CE1 PHE A 83 8.972 8.076 -2.725 1.00 73.13 C ATOM 1322 CE2 PHE A 83 7.517 9.747 -3.628 1.00 54.05 C ATOM 1323 CZ PHE A 83 8.791 9.248 -3.435 1.00 44.35 C ATOM 0 H PHE A 83 3.309 7.062 -3.721 1.00 52.32 H new ATOM 0 HA PHE A 83 5.698 5.458 -3.072 1.00 43.33 H new ATOM 0 HB2 PHE A 83 4.625 7.892 -1.622 1.00 52.14 H new ATOM 0 HB3 PHE A 83 5.702 6.728 -0.875 1.00 52.14 H new ATOM 0 HD1 PHE A 83 8.024 6.491 -1.658 1.00 32.41 H new ATOM 0 HD2 PHE A 83 5.435 9.466 -3.265 1.00 21.11 H new ATOM 0 HE1 PHE A 83 9.967 7.684 -2.573 1.00 73.13 H new ATOM 0 HE2 PHE A 83 7.373 10.663 -4.182 1.00 54.05 H new ATOM 0 HZ PHE A 83 9.644 9.773 -3.838 1.00 44.35 H new ATOM 1333 N ALA A 84 4.258 4.775 -0.798 1.00 43.52 N ATOM 1334 CA ALA A 84 3.389 3.964 0.029 1.00 51.15 C ATOM 1335 C ALA A 84 3.822 4.060 1.473 1.00 21.03 C ATOM 1336 O ALA A 84 4.943 4.478 1.770 1.00 2.51 O ATOM 1337 CB ALA A 84 3.388 2.513 -0.428 1.00 11.25 C ATOM 0 H ALA A 84 5.169 4.973 -0.385 1.00 43.52 H new ATOM 0 HA ALA A 84 2.372 4.343 -0.068 1.00 51.15 H new ATOM 0 HB1 ALA A 84 2.726 1.930 0.213 1.00 11.25 H new ATOM 0 HB2 ALA A 84 3.038 2.456 -1.459 1.00 11.25 H new ATOM 0 HB3 ALA A 84 4.399 2.111 -0.366 1.00 11.25 H new ATOM 1343 N MET A 85 2.935 3.678 2.364 1.00 13.00 N ATOM 1344 CA MET A 85 3.214 3.753 3.776 1.00 42.31 C ATOM 1345 C MET A 85 2.321 2.813 4.561 1.00 51.53 C ATOM 1346 O MET A 85 1.150 2.620 4.229 1.00 61.20 O ATOM 1347 CB MET A 85 3.016 5.179 4.276 1.00 44.25 C ATOM 1348 CG MET A 85 1.661 5.768 3.929 1.00 61.23 C ATOM 1349 SD MET A 85 0.908 6.634 5.317 1.00 53.35 S ATOM 1350 CE MET A 85 0.526 5.252 6.391 1.00 44.34 C ATOM 0 H MET A 85 2.012 3.311 2.132 1.00 13.00 H new ATOM 0 HA MET A 85 4.251 3.454 3.928 1.00 42.31 H new ATOM 0 HB2 MET A 85 3.142 5.195 5.359 1.00 44.25 H new ATOM 0 HB3 MET A 85 3.796 5.813 3.855 1.00 44.25 H new ATOM 0 HG2 MET A 85 1.772 6.457 3.092 1.00 61.23 H new ATOM 0 HG3 MET A 85 0.996 4.970 3.599 1.00 61.23 H new ATOM 0 HE1 MET A 85 -0.377 5.473 6.961 1.00 44.34 H new ATOM 0 HE2 MET A 85 0.366 4.357 5.790 1.00 44.34 H new ATOM 0 HE3 MET A 85 1.356 5.084 7.077 1.00 44.34 H new ATOM 1360 N ALA A 86 2.884 2.222 5.592 1.00 33.53 N ATOM 1361 CA ALA A 86 2.115 1.445 6.538 1.00 32.02 C ATOM 1362 C ALA A 86 2.372 1.971 7.939 1.00 14.04 C ATOM 1363 O ALA A 86 3.129 2.926 8.121 1.00 43.51 O ATOM 1364 CB ALA A 86 2.478 -0.031 6.434 1.00 21.45 C ATOM 0 H ALA A 86 3.882 2.266 5.797 1.00 33.53 H new ATOM 0 HA ALA A 86 1.053 1.541 6.312 1.00 32.02 H new ATOM 0 HB1 ALA A 86 1.890 -0.602 7.153 1.00 21.45 H new ATOM 0 HB2 ALA A 86 2.265 -0.388 5.426 1.00 21.45 H new ATOM 0 HB3 ALA A 86 3.539 -0.161 6.648 1.00 21.45 H new ATOM 1370 N ARG A 87 1.724 1.387 8.918 1.00 1.43 N ATOM 1371 CA ARG A 87 2.043 1.674 10.299 1.00 21.25 C ATOM 1372 C ARG A 87 3.051 0.645 10.771 1.00 62.05 C ATOM 1373 O ARG A 87 3.683 -0.020 9.951 1.00 60.15 O ATOM 1374 CB ARG A 87 0.783 1.643 11.167 1.00 3.43 C ATOM 1375 CG ARG A 87 0.057 0.307 11.161 1.00 52.55 C ATOM 1376 CD ARG A 87 -1.126 0.331 12.109 1.00 20.03 C ATOM 1377 NE ARG A 87 -0.714 0.516 13.502 1.00 2.23 N ATOM 1378 CZ ARG A 87 -1.447 1.148 14.420 1.00 74.24 C ATOM 1379 NH1 ARG A 87 -2.589 1.730 14.076 1.00 4.15 N ATOM 1380 NH2 ARG A 87 -1.021 1.221 15.679 1.00 74.32 N ATOM 0 H ARG A 87 0.973 0.710 8.786 1.00 1.43 H new ATOM 0 HA ARG A 87 2.466 2.675 10.384 1.00 21.25 H new ATOM 0 HB2 ARG A 87 1.055 1.892 12.193 1.00 3.43 H new ATOM 0 HB3 ARG A 87 0.098 2.418 10.822 1.00 3.43 H new ATOM 0 HG2 ARG A 87 -0.285 0.079 10.152 1.00 52.55 H new ATOM 0 HG3 ARG A 87 0.745 -0.487 11.451 1.00 52.55 H new ATOM 0 HD2 ARG A 87 -1.803 1.136 11.822 1.00 20.03 H new ATOM 0 HD3 ARG A 87 -1.682 -0.602 12.017 1.00 20.03 H new ATOM 0 HE ARG A 87 0.189 0.138 13.788 1.00 2.23 H new ATOM 0 HH11 ARG A 87 -2.908 1.695 13.108 1.00 4.15 H new ATOM 0 HH12 ARG A 87 -3.148 2.213 14.780 1.00 4.15 H new ATOM 0 HH21 ARG A 87 -0.133 0.793 15.943 1.00 74.32 H new ATOM 0 HH22 ARG A 87 -1.582 1.705 16.380 1.00 74.32 H new ATOM 1394 N VAL A 88 3.228 0.512 12.069 1.00 3.21 N ATOM 1395 CA VAL A 88 4.083 -0.536 12.578 1.00 74.10 C ATOM 1396 C VAL A 88 3.334 -1.383 13.592 1.00 30.10 C ATOM 1397 O VAL A 88 3.476 -1.217 14.806 1.00 21.53 O ATOM 1398 CB VAL A 88 5.394 -0.005 13.187 1.00 41.33 C ATOM 1399 CG1 VAL A 88 6.313 -1.165 13.530 1.00 54.54 C ATOM 1400 CG2 VAL A 88 6.085 0.966 12.234 1.00 63.33 C ATOM 0 H VAL A 88 2.799 1.106 12.779 1.00 3.21 H new ATOM 0 HA VAL A 88 4.364 -1.152 11.724 1.00 74.10 H new ATOM 0 HB VAL A 88 5.156 0.539 14.101 1.00 41.33 H new ATOM 0 HG11 VAL A 88 7.238 -0.781 13.960 1.00 54.54 H new ATOM 0 HG12 VAL A 88 5.821 -1.818 14.251 1.00 54.54 H new ATOM 0 HG13 VAL A 88 6.540 -1.729 12.625 1.00 54.54 H new ATOM 0 HG21 VAL A 88 7.008 1.326 12.688 1.00 63.33 H new ATOM 0 HG22 VAL A 88 6.316 0.456 11.299 1.00 63.33 H new ATOM 0 HG23 VAL A 88 5.426 1.810 12.034 1.00 63.33 H new ATOM 1410 N LYS A 89 2.496 -2.258 13.069 1.00 14.40 N ATOM 1411 CA LYS A 89 1.809 -3.254 13.870 1.00 1.04 C ATOM 1412 C LYS A 89 2.659 -4.514 13.908 1.00 63.14 C ATOM 1413 O LYS A 89 2.684 -5.240 14.899 1.00 2.22 O ATOM 1414 CB LYS A 89 0.439 -3.593 13.255 1.00 71.42 C ATOM 1415 CG LYS A 89 0.552 -4.109 11.825 1.00 32.24 C ATOM 1416 CD LYS A 89 -0.659 -4.902 11.380 1.00 44.14 C ATOM 1417 CE LYS A 89 -0.402 -5.588 10.047 1.00 24.51 C ATOM 1418 NZ LYS A 89 -0.476 -4.646 8.897 1.00 11.42 N ATOM 0 H LYS A 89 2.272 -2.298 12.075 1.00 14.40 H new ATOM 0 HA LYS A 89 1.654 -2.861 14.875 1.00 1.04 H new ATOM 0 HB2 LYS A 89 -0.056 -4.344 13.871 1.00 71.42 H new ATOM 0 HB3 LYS A 89 -0.191 -2.704 13.268 1.00 71.42 H new ATOM 0 HG2 LYS A 89 0.693 -3.264 11.151 1.00 32.24 H new ATOM 0 HG3 LYS A 89 1.440 -4.736 11.741 1.00 32.24 H new ATOM 0 HD2 LYS A 89 -0.907 -5.648 12.135 1.00 44.14 H new ATOM 0 HD3 LYS A 89 -1.520 -4.239 11.292 1.00 44.14 H new ATOM 0 HE2 LYS A 89 0.582 -6.056 10.067 1.00 24.51 H new ATOM 0 HE3 LYS A 89 -1.131 -6.386 9.906 1.00 24.51 H new ATOM 0 HZ1 LYS A 89 -0.515 -5.185 8.009 1.00 11.42 H new ATOM 0 HZ2 LYS A 89 -1.330 -4.059 8.983 1.00 11.42 H new ATOM 0 HZ3 LYS A 89 0.365 -4.034 8.895 1.00 11.42 H new ATOM 1432 N GLN A 90 3.388 -4.710 12.810 1.00 13.13 N ATOM 1433 CA GLN A 90 4.078 -5.961 12.505 1.00 54.40 C ATOM 1434 C GLN A 90 4.511 -5.920 11.040 1.00 45.23 C ATOM 1435 O GLN A 90 5.267 -6.770 10.559 1.00 14.31 O ATOM 1436 CB GLN A 90 3.123 -7.135 12.720 1.00 64.24 C ATOM 1437 CG GLN A 90 3.795 -8.494 12.807 1.00 13.35 C ATOM 1438 CD GLN A 90 2.786 -9.618 12.838 1.00 50.21 C ATOM 1439 OE1 GLN A 90 1.726 -9.476 12.060 1.00 12.13 O flip ATOM 1440 NE2 GLN A 90 2.983 -10.627 13.516 1.00 22.24 N flip ATOM 0 H GLN A 90 3.517 -3.992 12.097 1.00 13.13 H new ATOM 0 HA GLN A 90 4.945 -6.084 13.154 1.00 54.40 H new ATOM 0 HB2 GLN A 90 2.560 -6.964 13.638 1.00 64.24 H new ATOM 0 HB3 GLN A 90 2.402 -7.153 11.903 1.00 64.24 H new ATOM 0 HG2 GLN A 90 4.460 -8.626 11.953 1.00 13.35 H new ATOM 0 HG3 GLN A 90 4.414 -8.537 13.703 1.00 13.35 H new ATOM 0 HE21 GLN A 90 3.815 -10.693 14.102 1.00 22.24 H new ATOM 0 HE22 GLN A 90 2.314 -11.397 13.491 1.00 22.24 H new ATOM 1449 N ASP A 91 4.016 -4.888 10.351 1.00 53.11 N ATOM 1450 CA ASP A 91 4.211 -4.694 8.917 1.00 51.13 C ATOM 1451 C ASP A 91 5.670 -4.826 8.530 1.00 73.12 C ATOM 1452 O ASP A 91 5.991 -5.442 7.520 1.00 44.12 O ATOM 1453 CB ASP A 91 3.719 -3.304 8.502 1.00 73.21 C ATOM 1454 CG ASP A 91 2.473 -2.881 9.246 1.00 61.34 C ATOM 1455 OD1 ASP A 91 2.579 -2.595 10.458 1.00 51.31 O ATOM 1456 OD2 ASP A 91 1.385 -2.860 8.639 1.00 41.14 O ATOM 0 H ASP A 91 3.459 -4.152 10.785 1.00 53.11 H new ATOM 0 HA ASP A 91 3.639 -5.467 8.404 1.00 51.13 H new ATOM 0 HB2 ASP A 91 4.509 -2.575 8.681 1.00 73.21 H new ATOM 0 HB3 ASP A 91 3.517 -3.299 7.431 1.00 73.21 H new ATOM 1461 N LEU A 92 6.555 -4.245 9.333 1.00 31.55 N ATOM 1462 CA LEU A 92 7.976 -4.300 9.041 1.00 64.01 C ATOM 1463 C LEU A 92 8.462 -5.749 9.018 1.00 63.34 C ATOM 1464 O LEU A 92 9.302 -6.113 8.199 1.00 13.10 O ATOM 1465 CB LEU A 92 8.804 -3.401 10.003 1.00 33.02 C ATOM 1466 CG LEU A 92 8.935 -3.796 11.494 1.00 25.52 C ATOM 1467 CD1 LEU A 92 7.593 -4.135 12.127 1.00 23.03 C ATOM 1468 CD2 LEU A 92 9.935 -4.929 11.685 1.00 42.25 C ATOM 0 H LEU A 92 6.313 -3.736 10.183 1.00 31.55 H new ATOM 0 HA LEU A 92 8.135 -3.889 8.044 1.00 64.01 H new ATOM 0 HB2 LEU A 92 9.812 -3.328 9.595 1.00 33.02 H new ATOM 0 HB3 LEU A 92 8.373 -2.401 9.967 1.00 33.02 H new ATOM 0 HG LEU A 92 9.317 -2.918 12.015 1.00 25.52 H new ATOM 0 HD11 LEU A 92 7.742 -4.405 13.172 1.00 23.03 H new ATOM 0 HD12 LEU A 92 6.933 -3.270 12.066 1.00 23.03 H new ATOM 0 HD13 LEU A 92 7.142 -4.973 11.596 1.00 23.03 H new ATOM 0 HD21 LEU A 92 10.002 -5.181 12.743 1.00 42.25 H new ATOM 0 HD22 LEU A 92 9.605 -5.804 11.124 1.00 42.25 H new ATOM 0 HD23 LEU A 92 10.914 -4.615 11.324 1.00 42.25 H new ATOM 1480 N ARG A 93 7.868 -6.588 9.860 1.00 31.43 N ATOM 1481 CA ARG A 93 8.246 -7.989 9.915 1.00 12.12 C ATOM 1482 C ARG A 93 7.862 -8.673 8.616 1.00 14.32 C ATOM 1483 O ARG A 93 8.721 -9.016 7.814 1.00 52.32 O ATOM 1484 CB ARG A 93 7.580 -8.706 11.094 1.00 53.41 C ATOM 1485 CG ARG A 93 8.017 -8.198 12.458 1.00 71.43 C ATOM 1486 CD ARG A 93 9.518 -8.336 12.652 1.00 5.41 C ATOM 1487 NE ARG A 93 9.975 -9.725 12.548 1.00 61.03 N ATOM 1488 CZ ARG A 93 10.870 -10.275 13.371 1.00 30.43 C ATOM 1489 NH1 ARG A 93 11.327 -9.589 14.412 1.00 42.02 N ATOM 1490 NH2 ARG A 93 11.285 -11.520 13.169 1.00 42.23 N ATOM 0 H ARG A 93 7.128 -6.321 10.509 1.00 31.43 H new ATOM 0 HA ARG A 93 9.325 -8.041 10.057 1.00 12.12 H new ATOM 0 HB2 ARG A 93 6.499 -8.597 11.007 1.00 53.41 H new ATOM 0 HB3 ARG A 93 7.800 -9.772 11.028 1.00 53.41 H new ATOM 0 HG2 ARG A 93 7.730 -7.152 12.566 1.00 71.43 H new ATOM 0 HG3 ARG A 93 7.496 -8.754 13.238 1.00 71.43 H new ATOM 0 HD2 ARG A 93 10.034 -7.731 11.907 1.00 5.41 H new ATOM 0 HD3 ARG A 93 9.792 -7.940 13.630 1.00 5.41 H new ATOM 0 HE ARG A 93 9.587 -10.304 11.804 1.00 61.03 H new ATOM 0 HH11 ARG A 93 10.994 -8.640 14.584 1.00 42.02 H new ATOM 0 HH12 ARG A 93 12.011 -10.011 15.040 1.00 42.02 H new ATOM 0 HH21 ARG A 93 10.920 -12.058 12.383 1.00 42.23 H new ATOM 0 HH22 ARG A 93 11.969 -11.938 13.799 1.00 42.23 H new ATOM 1504 N GLU A 94 6.570 -8.836 8.386 1.00 41.25 N ATOM 1505 CA GLU A 94 6.126 -9.538 7.190 1.00 41.41 C ATOM 1506 C GLU A 94 6.479 -8.763 5.919 1.00 44.11 C ATOM 1507 O GLU A 94 7.216 -9.260 5.062 1.00 13.43 O ATOM 1508 CB GLU A 94 4.620 -9.845 7.232 1.00 51.31 C ATOM 1509 CG GLU A 94 3.742 -8.692 7.704 1.00 10.32 C ATOM 1510 CD GLU A 94 3.471 -8.741 9.191 1.00 13.54 C ATOM 1511 OE1 GLU A 94 4.250 -9.401 9.912 1.00 60.41 O ATOM 1512 OE2 GLU A 94 2.487 -8.119 9.643 1.00 22.51 O ATOM 0 H GLU A 94 5.824 -8.501 8.995 1.00 41.25 H new ATOM 0 HA GLU A 94 6.660 -10.488 7.168 1.00 41.41 H new ATOM 0 HB2 GLU A 94 4.297 -10.143 6.235 1.00 51.31 H new ATOM 0 HB3 GLU A 94 4.457 -10.699 7.889 1.00 51.31 H new ATOM 0 HG2 GLU A 94 4.226 -7.747 7.457 1.00 10.32 H new ATOM 0 HG3 GLU A 94 2.795 -8.716 7.164 1.00 10.32 H new ATOM 1519 N SER A 95 5.995 -7.533 5.824 1.00 72.54 N ATOM 1520 CA SER A 95 6.038 -6.785 4.577 1.00 61.45 C ATOM 1521 C SER A 95 7.435 -6.268 4.251 1.00 55.00 C ATOM 1522 O SER A 95 7.784 -6.131 3.080 1.00 32.21 O ATOM 1523 CB SER A 95 5.041 -5.620 4.623 1.00 1.41 C ATOM 1524 OG SER A 95 4.888 -5.026 3.343 1.00 21.44 O ATOM 0 H SER A 95 5.566 -7.030 6.601 1.00 72.54 H new ATOM 0 HA SER A 95 5.758 -7.475 3.781 1.00 61.45 H new ATOM 0 HB2 SER A 95 4.075 -5.978 4.979 1.00 1.41 H new ATOM 0 HB3 SER A 95 5.385 -4.871 5.336 1.00 1.41 H new ATOM 0 HG SER A 95 4.246 -4.287 3.400 1.00 21.44 H new ATOM 1530 N LEU A 96 8.244 -5.982 5.258 1.00 62.12 N ATOM 1531 CA LEU A 96 9.537 -5.379 4.995 1.00 4.22 C ATOM 1532 C LEU A 96 10.649 -6.419 4.967 1.00 3.20 C ATOM 1533 O LEU A 96 11.661 -6.222 4.293 1.00 34.31 O ATOM 1534 CB LEU A 96 9.832 -4.286 6.014 1.00 10.23 C ATOM 1535 CG LEU A 96 9.409 -2.868 5.608 1.00 42.32 C ATOM 1536 CD1 LEU A 96 10.063 -2.467 4.292 1.00 25.21 C ATOM 1537 CD2 LEU A 96 7.894 -2.761 5.506 1.00 54.03 C ATOM 0 H LEU A 96 8.035 -6.153 6.242 1.00 62.12 H new ATOM 0 HA LEU A 96 9.498 -4.925 4.005 1.00 4.22 H new ATOM 0 HB2 LEU A 96 9.332 -4.541 6.948 1.00 10.23 H new ATOM 0 HB3 LEU A 96 10.903 -4.282 6.216 1.00 10.23 H new ATOM 0 HG LEU A 96 9.747 -2.181 6.384 1.00 42.32 H new ATOM 0 HD11 LEU A 96 9.750 -1.458 4.022 1.00 25.21 H new ATOM 0 HD12 LEU A 96 11.147 -2.493 4.402 1.00 25.21 H new ATOM 0 HD13 LEU A 96 9.761 -3.162 3.509 1.00 25.21 H new ATOM 0 HD21 LEU A 96 7.620 -1.747 5.217 1.00 54.03 H new ATOM 0 HD22 LEU A 96 7.529 -3.463 4.756 1.00 54.03 H new ATOM 0 HD23 LEU A 96 7.447 -2.997 6.472 1.00 54.03 H new ATOM 1549 N ARG A 97 10.474 -7.529 5.680 1.00 44.42 N ATOM 1550 CA ARG A 97 11.454 -8.607 5.629 1.00 32.41 C ATOM 1551 C ARG A 97 11.285 -9.388 4.332 1.00 73.31 C ATOM 1552 O ARG A 97 12.229 -9.999 3.836 1.00 65.55 O ATOM 1553 CB ARG A 97 11.334 -9.518 6.859 1.00 24.23 C ATOM 1554 CG ARG A 97 12.455 -10.541 7.008 1.00 21.22 C ATOM 1555 CD ARG A 97 12.152 -11.833 6.269 1.00 14.31 C ATOM 1556 NE ARG A 97 13.274 -12.768 6.330 1.00 70.01 N ATOM 1557 CZ ARG A 97 13.169 -14.080 6.117 1.00 10.31 C ATOM 1558 NH1 ARG A 97 11.989 -14.624 5.840 1.00 4.30 N ATOM 1559 NH2 ARG A 97 14.247 -14.850 6.189 1.00 21.03 N ATOM 0 H ARG A 97 9.676 -7.703 6.290 1.00 44.42 H new ATOM 0 HA ARG A 97 12.457 -8.180 5.647 1.00 32.41 H new ATOM 0 HB2 ARG A 97 11.308 -8.896 7.754 1.00 24.23 H new ATOM 0 HB3 ARG A 97 10.382 -10.047 6.811 1.00 24.23 H new ATOM 0 HG2 ARG A 97 13.385 -10.117 6.629 1.00 21.22 H new ATOM 0 HG3 ARG A 97 12.610 -10.756 8.065 1.00 21.22 H new ATOM 0 HD2 ARG A 97 11.266 -12.299 6.700 1.00 14.31 H new ATOM 0 HD3 ARG A 97 11.920 -11.610 5.227 1.00 14.31 H new ATOM 0 HE ARG A 97 14.197 -12.393 6.550 1.00 70.01 H new ATOM 0 HH11 ARG A 97 11.156 -14.037 5.789 1.00 4.30 H new ATOM 0 HH12 ARG A 97 11.916 -15.628 5.678 1.00 4.30 H new ATOM 0 HH21 ARG A 97 15.154 -14.438 6.407 1.00 21.03 H new ATOM 0 HH22 ARG A 97 14.168 -15.854 6.026 1.00 21.03 H new ATOM 1573 N ALA A 98 10.078 -9.351 3.776 1.00 54.44 N ATOM 1574 CA ALA A 98 9.828 -9.950 2.471 1.00 73.15 C ATOM 1575 C ALA A 98 10.650 -9.251 1.388 1.00 42.21 C ATOM 1576 O ALA A 98 11.031 -9.863 0.391 1.00 41.31 O ATOM 1577 CB ALA A 98 8.349 -9.889 2.127 1.00 30.52 C ATOM 0 H ALA A 98 9.262 -8.915 4.206 1.00 54.44 H new ATOM 0 HA ALA A 98 10.132 -10.996 2.516 1.00 73.15 H new ATOM 0 HB1 ALA A 98 8.184 -10.341 1.149 1.00 30.52 H new ATOM 0 HB2 ALA A 98 7.778 -10.433 2.879 1.00 30.52 H new ATOM 0 HB3 ALA A 98 8.023 -8.849 2.105 1.00 30.52 H new ATOM 1583 N ALA A 99 10.921 -7.966 1.595 1.00 24.42 N ATOM 1584 CA ALA A 99 11.682 -7.181 0.632 1.00 13.42 C ATOM 1585 C ALA A 99 13.157 -7.095 1.013 1.00 2.35 C ATOM 1586 O ALA A 99 14.024 -7.572 0.277 1.00 2.15 O ATOM 1587 CB ALA A 99 11.101 -5.780 0.511 1.00 30.14 C ATOM 0 H ALA A 99 10.624 -7.447 2.422 1.00 24.42 H new ATOM 0 HA ALA A 99 11.610 -7.688 -0.330 1.00 13.42 H new ATOM 0 HB1 ALA A 99 11.681 -5.207 -0.212 1.00 30.14 H new ATOM 0 HB2 ALA A 99 10.065 -5.843 0.177 1.00 30.14 H new ATOM 0 HB3 ALA A 99 11.140 -5.285 1.481 1.00 30.14 H new ATOM 1593 N SER A 100 13.428 -6.486 2.170 1.00 34.12 N ATOM 1594 CA SER A 100 14.793 -6.185 2.593 1.00 63.33 C ATOM 1595 C SER A 100 15.494 -5.331 1.536 1.00 42.21 C ATOM 1596 O SER A 100 16.680 -5.493 1.263 1.00 53.45 O ATOM 1597 CB SER A 100 15.568 -7.481 2.859 1.00 24.22 C ATOM 1598 OG SER A 100 14.931 -8.254 3.866 1.00 22.13 O ATOM 0 H SER A 100 12.712 -6.191 2.834 1.00 34.12 H new ATOM 0 HA SER A 100 14.759 -5.617 3.523 1.00 63.33 H new ATOM 0 HB2 SER A 100 15.640 -8.062 1.940 1.00 24.22 H new ATOM 0 HB3 SER A 100 16.587 -7.244 3.166 1.00 24.22 H new ATOM 0 HG SER A 100 14.105 -8.641 3.508 1.00 22.13 H new ATOM 1604 N LEU A 101 14.743 -4.398 0.956 1.00 50.31 N ATOM 1605 CA LEU A 101 15.252 -3.579 -0.134 1.00 54.44 C ATOM 1606 C LEU A 101 15.406 -2.120 0.278 1.00 61.52 C ATOM 1607 O LEU A 101 15.798 -1.282 -0.533 1.00 41.55 O ATOM 1608 CB LEU A 101 14.322 -3.683 -1.341 1.00 14.33 C ATOM 1609 CG LEU A 101 14.238 -5.074 -1.970 1.00 34.11 C ATOM 1610 CD1 LEU A 101 13.098 -5.140 -2.969 1.00 60.02 C ATOM 1611 CD2 LEU A 101 15.552 -5.432 -2.645 1.00 53.35 C ATOM 0 H LEU A 101 13.781 -4.193 1.225 1.00 50.31 H new ATOM 0 HA LEU A 101 16.240 -3.955 -0.398 1.00 54.44 H new ATOM 0 HB2 LEU A 101 13.321 -3.376 -1.038 1.00 14.33 H new ATOM 0 HB3 LEU A 101 14.656 -2.976 -2.101 1.00 14.33 H new ATOM 0 HG LEU A 101 14.045 -5.797 -1.178 1.00 34.11 H new ATOM 0 HD11 LEU A 101 13.054 -6.138 -3.406 1.00 60.02 H new ATOM 0 HD12 LEU A 101 12.157 -4.924 -2.462 1.00 60.02 H new ATOM 0 HD13 LEU A 101 13.262 -4.405 -3.757 1.00 60.02 H new ATOM 0 HD21 LEU A 101 15.475 -6.425 -3.088 1.00 53.35 H new ATOM 0 HD22 LEU A 101 15.771 -4.703 -3.425 1.00 53.35 H new ATOM 0 HD23 LEU A 101 16.354 -5.425 -1.907 1.00 53.35 H new ATOM 1623 N LEU A 102 15.121 -1.819 1.541 1.00 55.14 N ATOM 1624 CA LEU A 102 15.217 -0.441 2.034 1.00 50.52 C ATOM 1625 C LEU A 102 16.652 0.056 1.970 1.00 61.51 C ATOM 1626 O LEU A 102 16.909 1.258 1.979 1.00 12.33 O ATOM 1627 CB LEU A 102 14.703 -0.335 3.468 1.00 71.34 C ATOM 1628 CG LEU A 102 13.224 -0.659 3.653 1.00 0.11 C ATOM 1629 CD1 LEU A 102 12.826 -0.496 5.112 1.00 62.41 C ATOM 1630 CD2 LEU A 102 12.362 0.228 2.760 1.00 72.13 C ATOM 0 H LEU A 102 14.824 -2.500 2.239 1.00 55.14 H new ATOM 0 HA LEU A 102 14.595 0.182 1.391 1.00 50.52 H new ATOM 0 HB2 LEU A 102 15.287 -1.007 4.097 1.00 71.34 H new ATOM 0 HB3 LEU A 102 14.885 0.678 3.828 1.00 71.34 H new ATOM 0 HG LEU A 102 13.059 -1.697 3.362 1.00 0.11 H new ATOM 0 HD11 LEU A 102 11.768 -0.730 5.229 1.00 62.41 H new ATOM 0 HD12 LEU A 102 13.418 -1.173 5.728 1.00 62.41 H new ATOM 0 HD13 LEU A 102 13.007 0.532 5.426 1.00 62.41 H new ATOM 0 HD21 LEU A 102 11.311 -0.019 2.907 1.00 72.13 H new ATOM 0 HD22 LEU A 102 12.528 1.274 3.017 1.00 72.13 H new ATOM 0 HD23 LEU A 102 12.630 0.064 1.716 1.00 72.13 H new ATOM 1642 N ASP A 103 17.575 -0.889 1.896 1.00 13.41 N ATOM 1643 CA ASP A 103 18.996 -0.598 1.803 1.00 24.15 C ATOM 1644 C ASP A 103 19.322 0.153 0.516 1.00 63.43 C ATOM 1645 O ASP A 103 20.237 0.972 0.479 1.00 30.12 O ATOM 1646 CB ASP A 103 19.794 -1.904 1.838 1.00 1.22 C ATOM 1647 CG ASP A 103 19.478 -2.753 3.050 1.00 73.44 C ATOM 1648 OD1 ASP A 103 18.486 -3.508 2.998 1.00 25.32 O ATOM 1649 OD2 ASP A 103 20.226 -2.684 4.045 1.00 12.04 O ATOM 0 H ASP A 103 17.358 -1.886 1.899 1.00 13.41 H new ATOM 0 HA ASP A 103 19.268 0.030 2.651 1.00 24.15 H new ATOM 0 HB2 ASP A 103 19.584 -2.477 0.935 1.00 1.22 H new ATOM 0 HB3 ASP A 103 20.859 -1.674 1.829 1.00 1.22 H new ATOM 1654 N LYS A 104 18.571 -0.125 -0.542 1.00 52.52 N ATOM 1655 CA LYS A 104 18.871 0.457 -1.845 1.00 23.20 C ATOM 1656 C LYS A 104 17.865 1.532 -2.240 1.00 1.52 C ATOM 1657 O LYS A 104 18.166 2.391 -3.065 1.00 43.42 O ATOM 1658 CB LYS A 104 18.961 -0.637 -2.917 1.00 22.45 C ATOM 1659 CG LYS A 104 17.750 -1.552 -2.985 1.00 72.43 C ATOM 1660 CD LYS A 104 18.162 -3.018 -2.974 1.00 23.12 C ATOM 1661 CE LYS A 104 18.744 -3.423 -1.626 1.00 24.40 C ATOM 1662 NZ LYS A 104 19.274 -4.813 -1.626 1.00 2.05 N ATOM 0 H LYS A 104 17.759 -0.742 -0.526 1.00 52.52 H new ATOM 0 HA LYS A 104 19.842 0.947 -1.768 1.00 23.20 H new ATOM 0 HB2 LYS A 104 19.099 -0.165 -3.890 1.00 22.45 H new ATOM 0 HB3 LYS A 104 19.848 -1.242 -2.728 1.00 22.45 H new ATOM 0 HG2 LYS A 104 17.092 -1.351 -2.140 1.00 72.43 H new ATOM 0 HG3 LYS A 104 17.181 -1.339 -3.890 1.00 72.43 H new ATOM 0 HD2 LYS A 104 17.297 -3.642 -3.201 1.00 23.12 H new ATOM 0 HD3 LYS A 104 18.898 -3.196 -3.758 1.00 23.12 H new ATOM 0 HE2 LYS A 104 19.544 -2.733 -1.358 1.00 24.40 H new ATOM 0 HE3 LYS A 104 17.974 -3.332 -0.860 1.00 24.40 H new ATOM 0 HZ1 LYS A 104 19.627 -5.050 -0.677 1.00 2.05 H new ATOM 0 HZ2 LYS A 104 18.515 -5.474 -1.888 1.00 2.05 H new ATOM 0 HZ3 LYS A 104 20.051 -4.888 -2.313 1.00 2.05 H new ATOM 1676 N ILE A 105 16.677 1.501 -1.649 1.00 65.23 N ATOM 1677 CA ILE A 105 15.693 2.543 -1.914 1.00 1.43 C ATOM 1678 C ILE A 105 15.795 3.660 -0.871 1.00 45.30 C ATOM 1679 O ILE A 105 16.072 4.807 -1.213 1.00 43.11 O ATOM 1680 CB ILE A 105 14.246 1.990 -1.996 1.00 11.11 C ATOM 1681 CG1 ILE A 105 13.895 1.151 -0.763 1.00 15.31 C ATOM 1682 CG2 ILE A 105 14.070 1.172 -3.270 1.00 12.03 C ATOM 1683 CD1 ILE A 105 12.555 0.458 -0.856 1.00 2.31 C ATOM 0 H ILE A 105 16.375 0.779 -0.994 1.00 65.23 H new ATOM 0 HA ILE A 105 15.924 2.957 -2.895 1.00 1.43 H new ATOM 0 HB ILE A 105 13.561 2.837 -2.021 1.00 11.11 H new ATOM 0 HG12 ILE A 105 14.671 0.401 -0.613 1.00 15.31 H new ATOM 0 HG13 ILE A 105 13.900 1.795 0.116 1.00 15.31 H new ATOM 0 HG21 ILE A 105 13.051 0.788 -3.318 1.00 12.03 H new ATOM 0 HG22 ILE A 105 14.261 1.804 -4.137 1.00 12.03 H new ATOM 0 HG23 ILE A 105 14.772 0.338 -3.267 1.00 12.03 H new ATOM 0 HD11 ILE A 105 12.378 -0.116 0.054 1.00 2.31 H new ATOM 0 HD12 ILE A 105 11.768 1.203 -0.974 1.00 2.31 H new ATOM 0 HD13 ILE A 105 12.551 -0.213 -1.715 1.00 2.31 H new ATOM 1695 N GLY A 106 15.629 3.311 0.400 1.00 53.13 N ATOM 1696 CA GLY A 106 15.733 4.291 1.461 1.00 65.40 C ATOM 1697 C GLY A 106 14.388 4.784 1.953 1.00 62.25 C ATOM 1698 O GLY A 106 13.709 4.095 2.712 1.00 4.42 O ATOM 0 H GLY A 106 15.423 2.362 0.714 1.00 53.13 H new ATOM 0 HA2 GLY A 106 16.281 3.855 2.297 1.00 65.40 H new ATOM 0 HA3 GLY A 106 16.316 5.141 1.106 1.00 65.40 H new ATOM 1702 N GLU A 107 13.996 5.969 1.504 1.00 4.35 N ATOM 1703 CA GLU A 107 12.778 6.608 1.989 1.00 61.43 C ATOM 1704 C GLU A 107 11.592 6.252 1.103 1.00 64.20 C ATOM 1705 O GLU A 107 10.460 6.668 1.358 1.00 31.13 O ATOM 1706 CB GLU A 107 12.955 8.129 2.019 1.00 5.32 C ATOM 1707 CG GLU A 107 14.211 8.591 2.743 1.00 0.21 C ATOM 1708 CD GLU A 107 14.278 8.110 4.177 1.00 41.51 C ATOM 1709 OE1 GLU A 107 13.654 8.746 5.052 1.00 74.30 O ATOM 1710 OE2 GLU A 107 14.972 7.106 4.441 1.00 61.14 O ATOM 0 H GLU A 107 14.504 6.509 0.803 1.00 4.35 H new ATOM 0 HA GLU A 107 12.584 6.246 2.999 1.00 61.43 H new ATOM 0 HB2 GLU A 107 12.980 8.502 0.995 1.00 5.32 H new ATOM 0 HB3 GLU A 107 12.085 8.576 2.500 1.00 5.32 H new ATOM 0 HG2 GLU A 107 15.087 8.232 2.204 1.00 0.21 H new ATOM 0 HG3 GLU A 107 14.252 9.680 2.729 1.00 0.21 H new ATOM 1717 N ASP A 108 11.862 5.489 0.056 1.00 31.24 N ATOM 1718 CA ASP A 108 10.830 5.101 -0.892 1.00 70.42 C ATOM 1719 C ASP A 108 9.862 4.108 -0.265 1.00 64.44 C ATOM 1720 O ASP A 108 10.245 2.987 0.066 1.00 5.00 O ATOM 1721 CB ASP A 108 11.452 4.492 -2.150 1.00 4.21 C ATOM 1722 CG ASP A 108 12.198 5.510 -2.988 1.00 21.02 C ATOM 1723 OD1 ASP A 108 13.348 5.850 -2.642 1.00 20.41 O ATOM 1724 OD2 ASP A 108 11.641 5.974 -4.000 1.00 53.12 O ATOM 0 H ASP A 108 12.790 5.125 -0.159 1.00 31.24 H new ATOM 0 HA ASP A 108 10.279 6.000 -1.169 1.00 70.42 H new ATOM 0 HB2 ASP A 108 12.136 3.694 -1.862 1.00 4.21 H new ATOM 0 HB3 ASP A 108 10.667 4.036 -2.754 1.00 4.21 H new ATOM 1729 N HIS A 109 8.609 4.547 -0.119 1.00 75.41 N ATOM 1730 CA HIS A 109 7.506 3.738 0.429 1.00 10.15 C ATOM 1731 C HIS A 109 7.858 3.060 1.759 1.00 54.51 C ATOM 1732 O HIS A 109 8.395 1.954 1.789 1.00 34.15 O ATOM 1733 CB HIS A 109 6.951 2.717 -0.599 1.00 32.52 C ATOM 1734 CG HIS A 109 7.932 1.744 -1.200 1.00 62.54 C ATOM 1735 ND1 HIS A 109 8.410 0.637 -0.531 1.00 52.23 N ATOM 1736 CD2 HIS A 109 8.487 1.699 -2.435 1.00 62.23 C ATOM 1737 CE1 HIS A 109 9.205 -0.048 -1.329 1.00 50.12 C ATOM 1738 NE2 HIS A 109 9.274 0.573 -2.491 1.00 70.44 N ATOM 0 H HIS A 109 8.323 5.490 -0.381 1.00 75.41 H new ATOM 0 HA HIS A 109 6.707 4.448 0.644 1.00 10.15 H new ATOM 0 HB2 HIS A 109 6.161 2.144 -0.114 1.00 32.52 H new ATOM 0 HB3 HIS A 109 6.487 3.275 -1.412 1.00 32.52 H new ATOM 0 HD1 HIS A 109 8.184 0.387 0.432 1.00 52.23 H new ATOM 0 HD2 HIS A 109 8.339 2.416 -3.229 1.00 62.23 H new ATOM 0 HE1 HIS A 109 9.715 -0.965 -1.074 1.00 50.12 H new ATOM 1747 N ILE A 110 7.509 3.718 2.867 1.00 22.52 N ATOM 1748 CA ILE A 110 7.878 3.210 4.187 1.00 54.30 C ATOM 1749 C ILE A 110 6.682 3.138 5.156 1.00 14.12 C ATOM 1750 O ILE A 110 6.057 2.087 5.290 1.00 11.22 O ATOM 1751 CB ILE A 110 9.089 3.979 4.839 1.00 4.14 C ATOM 1752 CG1 ILE A 110 8.804 5.463 5.198 1.00 51.23 C ATOM 1753 CG2 ILE A 110 10.313 3.896 3.937 1.00 63.50 C ATOM 1754 CD1 ILE A 110 8.309 6.321 4.056 1.00 70.12 C ATOM 0 H ILE A 110 6.980 4.590 2.877 1.00 22.52 H new ATOM 0 HA ILE A 110 8.215 2.189 4.006 1.00 54.30 H new ATOM 0 HB ILE A 110 9.270 3.474 5.788 1.00 4.14 H new ATOM 0 HG12 ILE A 110 8.064 5.490 5.998 1.00 51.23 H new ATOM 0 HG13 ILE A 110 9.718 5.906 5.594 1.00 51.23 H new ATOM 0 HG21 ILE A 110 11.142 4.431 4.399 1.00 63.50 H new ATOM 0 HG22 ILE A 110 10.590 2.851 3.794 1.00 63.50 H new ATOM 0 HG23 ILE A 110 10.084 4.346 2.971 1.00 63.50 H new ATOM 0 HD11 ILE A 110 8.140 7.338 4.411 1.00 70.12 H new ATOM 0 HD12 ILE A 110 9.054 6.333 3.261 1.00 70.12 H new ATOM 0 HD13 ILE A 110 7.375 5.911 3.672 1.00 70.12 H new ATOM 1766 N PHE A 111 6.322 4.255 5.781 1.00 53.11 N ATOM 1767 CA PHE A 111 5.441 4.243 6.940 1.00 4.12 C ATOM 1768 C PHE A 111 4.701 5.569 7.070 1.00 40.25 C ATOM 1769 O PHE A 111 4.838 6.448 6.217 1.00 64.32 O ATOM 1770 CB PHE A 111 6.234 3.982 8.235 1.00 70.44 C ATOM 1771 CG PHE A 111 6.917 2.642 8.295 1.00 13.01 C ATOM 1772 CD1 PHE A 111 6.182 1.483 8.486 1.00 32.14 C ATOM 1773 CD2 PHE A 111 8.293 2.543 8.163 1.00 5.53 C ATOM 1774 CE1 PHE A 111 6.805 0.251 8.541 1.00 45.43 C ATOM 1775 CE2 PHE A 111 8.922 1.312 8.217 1.00 22.12 C ATOM 1776 CZ PHE A 111 8.175 0.165 8.407 1.00 54.32 C ATOM 0 H PHE A 111 6.631 5.186 5.500 1.00 53.11 H new ATOM 0 HA PHE A 111 4.721 3.438 6.793 1.00 4.12 H new ATOM 0 HB2 PHE A 111 6.986 4.763 8.348 1.00 70.44 H new ATOM 0 HB3 PHE A 111 5.555 4.067 9.084 1.00 70.44 H new ATOM 0 HD1 PHE A 111 5.109 1.543 8.593 1.00 32.14 H new ATOM 0 HD2 PHE A 111 8.881 3.437 8.016 1.00 5.53 H new ATOM 0 HE1 PHE A 111 6.219 -0.644 8.689 1.00 45.43 H new ATOM 0 HE2 PHE A 111 9.995 1.248 8.111 1.00 22.12 H new ATOM 0 HZ PHE A 111 8.663 -0.797 8.450 1.00 54.32 H new ATOM 1786 N MET A 112 3.931 5.682 8.148 1.00 43.31 N ATOM 1787 CA MET A 112 3.134 6.869 8.464 1.00 74.11 C ATOM 1788 C MET A 112 3.910 8.168 8.228 1.00 71.35 C ATOM 1789 O MET A 112 4.775 8.529 9.027 1.00 23.30 O ATOM 1790 CB MET A 112 2.685 6.793 9.930 1.00 32.44 C ATOM 1791 CG MET A 112 1.861 7.983 10.417 1.00 43.13 C ATOM 1792 SD MET A 112 0.111 7.876 9.977 1.00 60.40 S ATOM 1793 CE MET A 112 0.172 8.179 8.216 1.00 23.12 C ATOM 0 H MET A 112 3.840 4.939 8.841 1.00 43.31 H new ATOM 0 HA MET A 112 2.271 6.883 7.798 1.00 74.11 H new ATOM 0 HB2 MET A 112 2.099 5.884 10.068 1.00 32.44 H new ATOM 0 HB3 MET A 112 3.569 6.701 10.560 1.00 32.44 H new ATOM 0 HG2 MET A 112 1.951 8.058 11.501 1.00 43.13 H new ATOM 0 HG3 MET A 112 2.278 8.899 9.998 1.00 43.13 H new ATOM 0 HE1 MET A 112 -0.531 7.518 7.709 1.00 23.12 H new ATOM 0 HE2 MET A 112 -0.096 9.216 8.016 1.00 23.12 H new ATOM 0 HE3 MET A 112 1.180 7.987 7.848 1.00 23.12 H new ATOM 1803 N THR A 113 3.598 8.849 7.123 1.00 72.45 N ATOM 1804 CA THR A 113 4.210 10.138 6.798 1.00 0.25 C ATOM 1805 C THR A 113 3.844 10.588 5.379 1.00 61.11 C ATOM 1806 O THR A 113 3.880 11.779 5.074 1.00 73.20 O ATOM 1807 CB THR A 113 5.756 10.108 6.937 1.00 72.44 C ATOM 1808 OG1 THR A 113 6.281 11.439 6.859 1.00 72.43 O ATOM 1809 CG2 THR A 113 6.402 9.250 5.856 1.00 74.22 C ATOM 0 H THR A 113 2.919 8.525 6.434 1.00 72.45 H new ATOM 0 HA THR A 113 3.812 10.851 7.520 1.00 0.25 H new ATOM 0 HB THR A 113 5.990 9.670 7.907 1.00 72.44 H new ATOM 0 HG1 THR A 113 7.256 11.412 6.949 1.00 72.43 H new ATOM 0 HG21 THR A 113 7.484 9.254 5.987 1.00 74.22 H new ATOM 0 HG22 THR A 113 6.031 8.228 5.933 1.00 74.22 H new ATOM 0 HG23 THR A 113 6.154 9.654 4.874 1.00 74.22 H new ATOM 1817 N LEU A 114 3.485 9.626 4.527 1.00 51.35 N ATOM 1818 CA LEU A 114 3.195 9.885 3.110 1.00 31.43 C ATOM 1819 C LEU A 114 2.160 11.005 2.888 1.00 71.54 C ATOM 1820 O LEU A 114 2.423 11.915 2.102 1.00 12.20 O ATOM 1821 CB LEU A 114 2.716 8.597 2.432 1.00 12.54 C ATOM 1822 CG LEU A 114 3.448 8.210 1.143 1.00 4.01 C ATOM 1823 CD1 LEU A 114 3.268 9.271 0.065 1.00 32.44 C ATOM 1824 CD2 LEU A 114 4.924 7.972 1.422 1.00 53.31 C ATOM 0 H LEU A 114 3.386 8.647 4.796 1.00 51.35 H new ATOM 0 HA LEU A 114 4.127 10.229 2.662 1.00 31.43 H new ATOM 0 HB2 LEU A 114 2.813 7.777 3.143 1.00 12.54 H new ATOM 0 HB3 LEU A 114 1.654 8.700 2.208 1.00 12.54 H new ATOM 0 HG LEU A 114 3.010 7.283 0.772 1.00 4.01 H new ATOM 0 HD11 LEU A 114 3.799 8.967 -0.837 1.00 32.44 H new ATOM 0 HD12 LEU A 114 2.208 9.385 -0.160 1.00 32.44 H new ATOM 0 HD13 LEU A 114 3.668 10.221 0.419 1.00 32.44 H new ATOM 0 HD21 LEU A 114 5.430 7.698 0.496 1.00 53.31 H new ATOM 0 HD22 LEU A 114 5.370 8.882 1.823 1.00 53.31 H new ATOM 0 HD23 LEU A 114 5.032 7.165 2.147 1.00 53.31 H new ATOM 1836 N PRO A 115 0.975 10.962 3.556 1.00 2.11 N ATOM 1837 CA PRO A 115 -0.105 11.944 3.335 1.00 43.32 C ATOM 1838 C PRO A 115 0.375 13.397 3.348 1.00 52.10 C ATOM 1839 O PRO A 115 0.001 14.188 2.484 1.00 62.44 O ATOM 1840 CB PRO A 115 -1.089 11.705 4.495 1.00 72.32 C ATOM 1841 CG PRO A 115 -0.407 10.757 5.421 1.00 73.14 C ATOM 1842 CD PRO A 115 0.571 9.968 4.561 1.00 24.04 C ATOM 0 HA PRO A 115 -0.545 11.804 2.348 1.00 43.32 H new ATOM 0 HB2 PRO A 115 -1.330 12.640 5.001 1.00 72.32 H new ATOM 0 HB3 PRO A 115 -2.028 11.288 4.131 1.00 72.32 H new ATOM 0 HG2 PRO A 115 0.114 11.292 6.215 1.00 73.14 H new ATOM 0 HG3 PRO A 115 -1.127 10.095 5.902 1.00 73.14 H new ATOM 0 HD2 PRO A 115 1.421 9.606 5.139 1.00 24.04 H new ATOM 0 HD3 PRO A 115 0.101 9.097 4.105 1.00 24.04 H new ATOM 1850 N THR A 116 1.199 13.747 4.325 1.00 55.11 N ATOM 1851 CA THR A 116 1.688 15.111 4.433 1.00 51.22 C ATOM 1852 C THR A 116 2.964 15.296 3.609 1.00 21.54 C ATOM 1853 O THR A 116 3.249 16.393 3.133 1.00 4.24 O ATOM 1854 CB THR A 116 1.943 15.509 5.909 1.00 1.42 C ATOM 1855 OG1 THR A 116 2.233 16.908 6.004 1.00 14.12 O ATOM 1856 CG2 THR A 116 3.093 14.713 6.513 1.00 23.20 C ATOM 0 H THR A 116 1.539 13.112 5.047 1.00 55.11 H new ATOM 0 HA THR A 116 0.914 15.767 4.036 1.00 51.22 H new ATOM 0 HB THR A 116 1.036 15.283 6.469 1.00 1.42 H new ATOM 0 HG1 THR A 116 2.391 17.147 6.941 1.00 14.12 H new ATOM 0 HG21 THR A 116 3.243 15.019 7.548 1.00 23.20 H new ATOM 0 HG22 THR A 116 2.857 13.649 6.479 1.00 23.20 H new ATOM 0 HG23 THR A 116 4.004 14.900 5.944 1.00 23.20 H new ATOM 1864 N ALA A 117 3.703 14.207 3.414 1.00 51.45 N ATOM 1865 CA ALA A 117 4.991 14.261 2.731 1.00 24.43 C ATOM 1866 C ALA A 117 4.858 14.769 1.301 1.00 63.51 C ATOM 1867 O ALA A 117 5.238 15.902 1.008 1.00 31.35 O ATOM 1868 CB ALA A 117 5.662 12.893 2.743 1.00 61.32 C ATOM 0 H ALA A 117 3.430 13.273 3.721 1.00 51.45 H new ATOM 0 HA ALA A 117 5.615 14.969 3.276 1.00 24.43 H new ATOM 0 HB1 ALA A 117 6.621 12.954 2.229 1.00 61.32 H new ATOM 0 HB2 ALA A 117 5.822 12.575 3.773 1.00 61.32 H new ATOM 0 HB3 ALA A 117 5.023 12.170 2.235 1.00 61.32 H new ATOM 1874 N VAL A 118 4.302 13.946 0.418 1.00 21.23 N ATOM 1875 CA VAL A 118 4.222 14.296 -1.000 1.00 44.55 C ATOM 1876 C VAL A 118 3.410 15.568 -1.219 1.00 23.54 C ATOM 1877 O VAL A 118 3.782 16.420 -2.031 1.00 74.23 O ATOM 1878 CB VAL A 118 3.630 13.148 -1.852 1.00 5.34 C ATOM 1879 CG1 VAL A 118 4.598 11.978 -1.910 1.00 4.31 C ATOM 1880 CG2 VAL A 118 2.280 12.694 -1.311 1.00 61.51 C ATOM 0 H VAL A 118 3.902 13.038 0.654 1.00 21.23 H new ATOM 0 HA VAL A 118 5.247 14.471 -1.328 1.00 44.55 H new ATOM 0 HB VAL A 118 3.475 13.527 -2.862 1.00 5.34 H new ATOM 0 HG11 VAL A 118 4.167 11.179 -2.513 1.00 4.31 H new ATOM 0 HG12 VAL A 118 5.537 12.304 -2.358 1.00 4.31 H new ATOM 0 HG13 VAL A 118 4.786 11.611 -0.901 1.00 4.31 H new ATOM 0 HG21 VAL A 118 1.892 11.887 -1.932 1.00 61.51 H new ATOM 0 HG22 VAL A 118 2.399 12.339 -0.287 1.00 61.51 H new ATOM 0 HG23 VAL A 118 1.582 13.531 -1.326 1.00 61.51 H new ATOM 1890 N GLN A 119 2.326 15.709 -0.461 1.00 62.54 N ATOM 1891 CA GLN A 119 1.437 16.851 -0.592 1.00 41.23 C ATOM 1892 C GLN A 119 2.171 18.149 -0.265 1.00 51.11 C ATOM 1893 O GLN A 119 1.886 19.191 -0.849 1.00 41.13 O ATOM 1894 CB GLN A 119 0.217 16.676 0.316 1.00 3.23 C ATOM 1895 CG GLN A 119 -0.795 17.806 0.212 1.00 44.22 C ATOM 1896 CD GLN A 119 -2.055 17.543 1.015 1.00 34.13 C ATOM 1897 OE1 GLN A 119 -1.930 16.782 2.093 1.00 31.44 O flip ATOM 1898 NE2 GLN A 119 -3.135 18.018 0.666 1.00 61.52 N flip ATOM 0 H GLN A 119 2.044 15.039 0.254 1.00 62.54 H new ATOM 0 HA GLN A 119 1.096 16.909 -1.626 1.00 41.23 H new ATOM 0 HB2 GLN A 119 -0.276 15.736 0.069 1.00 3.23 H new ATOM 0 HB3 GLN A 119 0.554 16.597 1.350 1.00 3.23 H new ATOM 0 HG2 GLN A 119 -0.336 18.732 0.558 1.00 44.22 H new ATOM 0 HG3 GLN A 119 -1.061 17.954 -0.835 1.00 44.22 H new ATOM 0 HE21 GLN A 119 -3.190 18.599 -0.170 1.00 61.52 H new ATOM 0 HE22 GLN A 119 -3.975 17.831 1.213 1.00 61.52 H new ATOM 1907 N ALA A 120 3.124 18.076 0.656 1.00 43.01 N ATOM 1908 CA ALA A 120 3.902 19.245 1.032 1.00 32.32 C ATOM 1909 C ALA A 120 5.118 19.416 0.128 1.00 41.20 C ATOM 1910 O ALA A 120 5.438 20.530 -0.269 1.00 13.31 O ATOM 1911 CB ALA A 120 4.334 19.163 2.487 1.00 25.40 C ATOM 0 H ALA A 120 3.375 17.222 1.154 1.00 43.01 H new ATOM 0 HA ALA A 120 3.262 20.119 0.908 1.00 32.32 H new ATOM 0 HB1 ALA A 120 4.915 20.049 2.745 1.00 25.40 H new ATOM 0 HB2 ALA A 120 3.452 19.108 3.126 1.00 25.40 H new ATOM 0 HB3 ALA A 120 4.945 18.273 2.635 1.00 25.40 H new ATOM 1917 N PHE A 121 5.784 18.313 -0.208 1.00 4.12 N ATOM 1918 CA PHE A 121 7.006 18.370 -1.013 1.00 72.11 C ATOM 1919 C PHE A 121 6.793 19.113 -2.330 1.00 44.11 C ATOM 1920 O PHE A 121 7.520 20.058 -2.637 1.00 64.51 O ATOM 1921 CB PHE A 121 7.555 16.970 -1.299 1.00 55.31 C ATOM 1922 CG PHE A 121 8.155 16.285 -0.098 1.00 2.14 C ATOM 1923 CD1 PHE A 121 8.791 17.018 0.893 1.00 54.04 C ATOM 1924 CD2 PHE A 121 8.094 14.905 0.031 1.00 41.10 C ATOM 1925 CE1 PHE A 121 9.350 16.389 1.990 1.00 60.13 C ATOM 1926 CE2 PHE A 121 8.652 14.272 1.128 1.00 23.11 C ATOM 1927 CZ PHE A 121 9.281 15.016 2.108 1.00 71.15 C ATOM 0 H PHE A 121 5.501 17.371 0.063 1.00 4.12 H new ATOM 0 HA PHE A 121 7.735 18.923 -0.421 1.00 72.11 H new ATOM 0 HB2 PHE A 121 6.750 16.350 -1.693 1.00 55.31 H new ATOM 0 HB3 PHE A 121 8.313 17.041 -2.079 1.00 55.31 H new ATOM 0 HD1 PHE A 121 8.850 18.093 0.807 1.00 54.04 H new ATOM 0 HD2 PHE A 121 7.606 14.318 -0.733 1.00 41.10 H new ATOM 0 HE1 PHE A 121 9.841 16.973 2.755 1.00 60.13 H new ATOM 0 HE2 PHE A 121 8.596 13.197 1.218 1.00 23.11 H new ATOM 0 HZ PHE A 121 9.718 14.524 2.964 1.00 71.15 H new ATOM 1937 N ARG A 122 5.789 18.708 -3.103 1.00 72.41 N ATOM 1938 CA ARG A 122 5.553 19.321 -4.412 1.00 4.42 C ATOM 1939 C ARG A 122 4.568 20.488 -4.322 1.00 23.42 C ATOM 1940 O ARG A 122 3.869 20.812 -5.283 1.00 22.20 O ATOM 1941 CB ARG A 122 5.093 18.266 -5.440 1.00 1.40 C ATOM 1942 CG ARG A 122 3.980 17.327 -4.981 1.00 2.15 C ATOM 1943 CD ARG A 122 2.652 18.045 -4.808 1.00 34.21 C ATOM 1944 NE ARG A 122 1.528 17.118 -4.776 1.00 44.23 N ATOM 1945 CZ ARG A 122 0.343 17.394 -4.246 1.00 51.43 C ATOM 1946 NH1 ARG A 122 0.133 18.539 -3.605 1.00 42.01 N ATOM 1947 NH2 ARG A 122 -0.631 16.504 -4.347 1.00 63.33 N ATOM 0 H ARG A 122 5.133 17.969 -2.853 1.00 72.41 H new ATOM 0 HA ARG A 122 6.500 19.733 -4.760 1.00 4.42 H new ATOM 0 HB2 ARG A 122 4.757 18.785 -6.338 1.00 1.40 H new ATOM 0 HB3 ARG A 122 5.956 17.664 -5.724 1.00 1.40 H new ATOM 0 HG2 ARG A 122 3.863 16.523 -5.708 1.00 2.15 H new ATOM 0 HG3 ARG A 122 4.265 16.864 -4.037 1.00 2.15 H new ATOM 0 HD2 ARG A 122 2.671 18.623 -3.884 1.00 34.21 H new ATOM 0 HD3 ARG A 122 2.514 18.753 -5.625 1.00 34.21 H new ATOM 0 HE ARG A 122 1.661 16.195 -5.189 1.00 44.23 H new ATOM 0 HH11 ARG A 122 0.888 19.219 -3.515 1.00 42.01 H new ATOM 0 HH12 ARG A 122 -0.783 18.738 -3.203 1.00 42.01 H new ATOM 0 HH21 ARG A 122 -0.466 15.619 -4.827 1.00 63.33 H new ATOM 0 HH22 ARG A 122 -1.547 16.702 -3.944 1.00 63.33 H new ATOM 1961 N ARG A 123 4.548 21.141 -3.171 1.00 53.13 N ATOM 1962 CA ARG A 123 3.654 22.268 -2.939 1.00 43.21 C ATOM 1963 C ARG A 123 4.373 23.368 -2.163 1.00 74.14 C ATOM 1964 O ARG A 123 4.146 24.552 -2.400 1.00 65.14 O ATOM 1965 CB ARG A 123 2.385 21.766 -2.229 1.00 52.10 C ATOM 1966 CG ARG A 123 1.659 22.776 -1.349 1.00 75.40 C ATOM 1967 CD ARG A 123 2.172 22.722 0.081 1.00 1.32 C ATOM 1968 NE ARG A 123 1.136 23.040 1.061 1.00 33.02 N ATOM 1969 CZ ARG A 123 1.388 23.348 2.331 1.00 54.31 C ATOM 1970 NH1 ARG A 123 2.628 23.587 2.726 1.00 42.03 N ATOM 1971 NH2 ARG A 123 0.391 23.478 3.194 1.00 34.43 N ATOM 0 H ARG A 123 5.145 20.909 -2.377 1.00 53.13 H new ATOM 0 HA ARG A 123 3.350 22.711 -3.887 1.00 43.21 H new ATOM 0 HB2 ARG A 123 1.688 21.409 -2.987 1.00 52.10 H new ATOM 0 HB3 ARG A 123 2.654 20.907 -1.614 1.00 52.10 H new ATOM 0 HG2 ARG A 123 1.798 23.780 -1.751 1.00 75.40 H new ATOM 0 HG3 ARG A 123 0.588 22.572 -1.363 1.00 75.40 H new ATOM 0 HD2 ARG A 123 2.566 21.726 0.284 1.00 1.32 H new ATOM 0 HD3 ARG A 123 3.000 23.422 0.193 1.00 1.32 H new ATOM 0 HE ARG A 123 0.163 23.025 0.754 1.00 33.02 H new ATOM 0 HH11 ARG A 123 3.395 23.536 2.056 1.00 42.03 H new ATOM 0 HH12 ARG A 123 2.816 23.823 3.700 1.00 42.03 H new ATOM 0 HH21 ARG A 123 -0.572 23.342 2.885 1.00 34.43 H new ATOM 0 HH22 ARG A 123 0.586 23.714 4.167 1.00 34.43 H new ATOM 1985 N ARG A 124 5.251 22.953 -1.250 1.00 71.40 N ATOM 1986 CA ARG A 124 6.112 23.862 -0.499 1.00 3.24 C ATOM 1987 C ARG A 124 5.309 24.836 0.348 1.00 43.35 C ATOM 1988 O ARG A 124 5.272 26.036 0.011 1.00 23.40 O ATOM 1989 CB ARG A 124 7.053 24.619 -1.442 1.00 50.10 C ATOM 1990 CG ARG A 124 8.053 23.719 -2.148 1.00 70.44 C ATOM 1991 CD ARG A 124 8.852 22.896 -1.149 1.00 12.31 C ATOM 1992 NE ARG A 124 9.478 23.743 -0.133 1.00 72.31 N ATOM 1993 CZ ARG A 124 9.620 23.397 1.147 1.00 54.41 C ATOM 1994 NH1 ARG A 124 9.254 22.188 1.556 1.00 20.24 N ATOM 1995 NH2 ARG A 124 10.153 24.256 2.009 1.00 44.12 N ATOM 0 H ARG A 124 5.384 21.971 -1.010 1.00 71.40 H new ATOM 0 HA ARG A 124 6.710 23.254 0.180 1.00 3.24 H new ATOM 0 HB2 ARG A 124 6.460 25.146 -2.189 1.00 50.10 H new ATOM 0 HB3 ARG A 124 7.594 25.375 -0.873 1.00 50.10 H new ATOM 0 HG2 ARG A 124 7.527 23.054 -2.833 1.00 70.44 H new ATOM 0 HG3 ARG A 124 8.731 24.325 -2.749 1.00 70.44 H new ATOM 0 HD2 ARG A 124 8.196 22.172 -0.666 1.00 12.31 H new ATOM 0 HD3 ARG A 124 9.620 22.329 -1.675 1.00 12.31 H new ATOM 0 HE ARG A 124 9.828 24.656 -0.422 1.00 72.31 H new ATOM 0 HH11 ARG A 124 8.863 21.521 0.891 1.00 20.24 H new ATOM 0 HH12 ARG A 124 9.364 21.926 2.536 1.00 20.24 H new ATOM 0 HH21 ARG A 124 10.453 25.178 1.691 1.00 44.12 H new ATOM 0 HH22 ARG A 124 10.263 23.994 2.989 1.00 44.12 H new TER 2009 ARG A 124