USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1081 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 112 THR OG1 : rot -110:sc= -1.53 USER MOD Set 1.2: A 115 ASN : amide:sc= -1.68 X(o=-3.2,f=-2.8!) USER MOD Set 2.1: A 19 ASN : amide:sc= -0.89 X(o=0.29,f=-0.028!) USER MOD Set 2.2: A 22 THR OG1 : rot -104:sc= 1.18 USER MOD Set 3.1: A 5 HIS : no HD1:sc= -0.215 X(o=-0.093,f=-0.2) USER MOD Set 3.2: A 6 LYS NZ :NH3+ -108:sc= 0.122 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 173:sc= 0 (180deg=-0.000572) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.338 K(o=-0.34,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 75:sc= -0.225 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.01 K(o=-1,f=-0.00072) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -1.14 (180deg=-1.28) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.868 USER MOD Single : A 29 THR OG1 : rot 110:sc= -0.915 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -150:sc= -0.709 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 25:sc= 0.671 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.48) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-6.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 75 GLN : amide:sc= -0.275 K(o=-0.27,f=-2.2!) USER MOD Single : A 76 GLN : amide:sc= -0.223 K(o=-0.22,f=-2!) USER MOD Single : A 78 HIS : no HD1:sc= -0.888 K(o=-0.89,f=-2.3!) USER MOD Single : A 80 HIS : no HE2:sc= -3.6! C(o=-3.6!,f=-5.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.054) USER MOD Single : A 101 ASN : amide:sc= -0.395 X(o=-0.39,f=-0.0019) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 155:sc= 1.2 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -96:sc= -2.75! USER MOD Single : A 124 MET CE :methyl -157:sc= -9.93! (180deg=-11.4!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot -171:sc= 0.0418 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -21.333 17.872 9.287 1.00 3.34 N ATOM 2 CA GLU A 1 -21.645 16.562 8.648 1.00 2.98 C ATOM 3 C GLU A 1 -21.631 15.460 9.709 1.00 3.60 C ATOM 4 O GLU A 1 -20.713 15.357 10.498 1.00 4.04 O ATOM 5 CB GLU A 1 -20.600 16.253 7.576 1.00 1.98 C ATOM 6 CG GLU A 1 -21.232 16.409 6.192 1.00 1.86 C ATOM 7 CD GLU A 1 -21.740 17.842 6.024 1.00 2.74 C ATOM 8 OE1 GLU A 1 -20.919 18.720 5.815 1.00 2.36 O ATOM 9 OE2 GLU A 1 -22.941 18.038 6.106 1.00 4.12 O ATOM 0 H1 GLU A 1 -21.226 18.600 8.552 1.00 3.34 H new ATOM 0 H2 GLU A 1 -22.107 18.139 9.928 1.00 3.34 H new ATOM 0 H3 GLU A 1 -20.448 17.793 9.828 1.00 3.34 H new ATOM 0 HA GLU A 1 -22.632 16.610 8.188 1.00 2.98 H new ATOM 0 HB2 GLU A 1 -19.749 16.926 7.677 1.00 1.98 H new ATOM 0 HB3 GLU A 1 -20.221 15.239 7.703 1.00 1.98 H new ATOM 0 HG2 GLU A 1 -20.500 16.178 5.418 1.00 1.86 H new ATOM 0 HG3 GLU A 1 -22.055 15.704 6.074 1.00 1.86 H new ATOM 18 N ALA A 2 -22.643 14.638 9.738 1.00 3.94 N ATOM 19 CA ALA A 2 -22.688 13.547 10.754 1.00 4.65 C ATOM 20 C ALA A 2 -22.575 12.187 10.059 1.00 4.19 C ATOM 21 O ALA A 2 -21.820 11.328 10.473 1.00 4.37 O ATOM 22 CB ALA A 2 -24.014 13.621 11.517 1.00 5.62 C ATOM 0 H ALA A 2 -23.441 14.674 9.103 1.00 3.94 H new ATOM 0 HA ALA A 2 -21.857 13.665 11.449 1.00 4.65 H new ATOM 0 HB1 ALA A 2 -24.051 12.825 12.261 1.00 5.62 H new ATOM 0 HB2 ALA A 2 -24.094 14.587 12.015 1.00 5.62 H new ATOM 0 HB3 ALA A 2 -24.843 13.504 10.819 1.00 5.62 H new ATOM 28 N GLU A 3 -23.324 11.981 9.011 1.00 3.81 N ATOM 29 CA GLU A 3 -23.266 10.673 8.297 1.00 3.44 C ATOM 30 C GLU A 3 -22.059 10.645 7.357 1.00 2.46 C ATOM 31 O GLU A 3 -21.483 11.666 7.033 1.00 2.06 O ATOM 32 CB GLU A 3 -24.548 10.482 7.484 1.00 3.50 C ATOM 33 CG GLU A 3 -25.741 10.349 8.434 1.00 4.55 C ATOM 34 CD GLU A 3 -26.668 9.238 7.939 1.00 5.19 C ATOM 35 OE1 GLU A 3 -26.376 8.085 8.212 1.00 5.87 O ATOM 36 OE2 GLU A 3 -27.653 9.558 7.295 1.00 5.36 O ATOM 0 H GLU A 3 -23.974 12.662 8.618 1.00 3.81 H new ATOM 0 HA GLU A 3 -23.170 9.869 9.027 1.00 3.44 H new ATOM 0 HB2 GLU A 3 -24.696 11.329 6.814 1.00 3.50 H new ATOM 0 HB3 GLU A 3 -24.466 9.592 6.860 1.00 3.50 H new ATOM 0 HG2 GLU A 3 -25.393 10.124 9.442 1.00 4.55 H new ATOM 0 HG3 GLU A 3 -26.284 11.293 8.487 1.00 4.55 H new ATOM 43 N ALA A 4 -21.673 9.478 6.915 1.00 2.62 N ATOM 44 CA ALA A 4 -20.507 9.369 5.994 1.00 1.99 C ATOM 45 C ALA A 4 -20.432 7.942 5.447 1.00 2.13 C ATOM 46 O ALA A 4 -20.507 6.980 6.186 1.00 2.86 O ATOM 47 CB ALA A 4 -19.220 9.694 6.755 1.00 3.05 C ATOM 0 H ALA A 4 -22.118 8.592 7.154 1.00 2.62 H new ATOM 0 HA ALA A 4 -20.624 10.073 5.170 1.00 1.99 H new ATOM 0 HB1 ALA A 4 -18.368 9.614 6.080 1.00 3.05 H new ATOM 0 HB2 ALA A 4 -19.277 10.709 7.149 1.00 3.05 H new ATOM 0 HB3 ALA A 4 -19.097 8.991 7.579 1.00 3.05 H new ATOM 53 N HIS A 5 -20.290 7.795 4.158 1.00 1.63 N ATOM 54 CA HIS A 5 -20.218 6.428 3.571 1.00 2.11 C ATOM 55 C HIS A 5 -18.765 5.953 3.548 1.00 2.53 C ATOM 56 O HIS A 5 -17.895 6.546 4.155 1.00 2.64 O ATOM 57 CB HIS A 5 -20.769 6.454 2.144 1.00 1.77 C ATOM 58 CG HIS A 5 -21.662 5.262 1.934 1.00 2.54 C ATOM 59 ND1 HIS A 5 -21.731 4.591 0.723 1.00 3.31 N ATOM 60 CD2 HIS A 5 -22.526 4.605 2.776 1.00 3.03 C ATOM 61 CE1 HIS A 5 -22.610 3.582 0.869 1.00 3.82 C ATOM 62 NE2 HIS A 5 -23.123 3.545 2.102 1.00 3.65 N ATOM 0 H HIS A 5 -20.221 8.561 3.488 1.00 1.63 H new ATOM 0 HA HIS A 5 -20.812 5.744 4.178 1.00 2.11 H new ATOM 0 HB2 HIS A 5 -21.327 7.375 1.974 1.00 1.77 H new ATOM 0 HB3 HIS A 5 -19.950 6.440 1.425 1.00 1.77 H new ATOM 0 HD2 HIS A 5 -22.713 4.871 3.806 1.00 3.03 H new ATOM 0 HE1 HIS A 5 -22.869 2.887 0.084 1.00 3.82 H new ATOM 0 HE2 HIS A 5 -23.805 2.882 2.470 1.00 3.65 H new ATOM 70 N LYS A 6 -18.497 4.885 2.848 1.00 3.09 N ATOM 71 CA LYS A 6 -17.103 4.366 2.782 1.00 3.52 C ATOM 72 C LYS A 6 -16.502 4.722 1.422 1.00 2.65 C ATOM 73 O LYS A 6 -16.014 3.869 0.707 1.00 3.27 O ATOM 74 CB LYS A 6 -17.108 2.841 2.941 1.00 4.90 C ATOM 75 CG LYS A 6 -18.223 2.413 3.901 1.00 5.61 C ATOM 76 CD LYS A 6 -19.411 1.875 3.097 1.00 6.61 C ATOM 77 CE LYS A 6 -20.207 0.890 3.956 1.00 7.52 C ATOM 78 NZ LYS A 6 -21.649 1.268 3.941 1.00 7.49 N ATOM 0 H LYS A 6 -19.185 4.349 2.318 1.00 3.09 H new ATOM 0 HA LYS A 6 -16.513 4.812 3.583 1.00 3.52 H new ATOM 0 HB2 LYS A 6 -17.252 2.367 1.970 1.00 4.90 H new ATOM 0 HB3 LYS A 6 -16.143 2.504 3.320 1.00 4.90 H new ATOM 0 HG2 LYS A 6 -17.855 1.647 4.584 1.00 5.61 H new ATOM 0 HG3 LYS A 6 -18.537 3.260 4.511 1.00 5.61 H new ATOM 0 HD2 LYS A 6 -20.052 2.698 2.781 1.00 6.61 H new ATOM 0 HD3 LYS A 6 -19.057 1.381 2.192 1.00 6.61 H new ATOM 0 HE2 LYS A 6 -20.082 -0.124 3.576 1.00 7.52 H new ATOM 0 HE3 LYS A 6 -19.829 0.896 4.979 1.00 7.52 H new ATOM 0 HZ1 LYS A 6 -21.914 1.664 4.865 1.00 7.49 H new ATOM 0 HZ2 LYS A 6 -21.814 1.979 3.200 1.00 7.49 H new ATOM 0 HZ3 LYS A 6 -22.227 0.425 3.747 1.00 7.49 H new ATOM 92 N CYS A 7 -16.543 5.971 1.051 1.00 1.37 N ATOM 93 CA CYS A 7 -15.983 6.369 -0.271 1.00 0.76 C ATOM 94 C CYS A 7 -15.996 7.892 -0.391 1.00 0.54 C ATOM 95 O CYS A 7 -16.263 8.444 -1.440 1.00 1.68 O ATOM 96 CB CYS A 7 -16.847 5.750 -1.375 1.00 1.23 C ATOM 97 SG CYS A 7 -16.080 5.991 -2.999 1.00 1.96 S ATOM 0 H CYS A 7 -16.939 6.732 1.604 1.00 1.37 H new ATOM 0 HA CYS A 7 -14.956 6.016 -0.367 1.00 0.76 H new ATOM 0 HB2 CYS A 7 -16.981 4.685 -1.185 1.00 1.23 H new ATOM 0 HB3 CYS A 7 -17.838 6.203 -1.365 1.00 1.23 H new ATOM 102 N ASP A 8 -15.698 8.579 0.674 1.00 1.48 N ATOM 103 CA ASP A 8 -15.680 10.064 0.615 1.00 2.42 C ATOM 104 C ASP A 8 -14.396 10.513 -0.081 1.00 1.60 C ATOM 105 O ASP A 8 -13.763 9.751 -0.784 1.00 1.73 O ATOM 106 CB ASP A 8 -15.719 10.633 2.037 1.00 3.98 C ATOM 107 CG ASP A 8 -16.684 9.810 2.893 1.00 5.52 C ATOM 108 OD1 ASP A 8 -17.861 10.131 2.895 1.00 5.88 O ATOM 109 OD2 ASP A 8 -16.229 8.877 3.532 1.00 6.61 O ATOM 0 H ASP A 8 -15.466 8.176 1.582 1.00 1.48 H new ATOM 0 HA ASP A 8 -16.547 10.425 0.062 1.00 2.42 H new ATOM 0 HB2 ASP A 8 -14.721 10.613 2.475 1.00 3.98 H new ATOM 0 HB3 ASP A 8 -16.036 11.676 2.014 1.00 3.98 H new ATOM 114 N ILE A 9 -13.999 11.738 0.114 1.00 1.24 N ATOM 115 CA ILE A 9 -12.749 12.225 -0.532 1.00 0.74 C ATOM 116 C ILE A 9 -11.552 11.408 -0.030 1.00 0.67 C ATOM 117 O ILE A 9 -10.502 11.404 -0.635 1.00 0.63 O ATOM 118 CB ILE A 9 -12.550 13.702 -0.178 1.00 1.44 C ATOM 119 CG1 ILE A 9 -12.200 14.495 -1.443 1.00 2.68 C ATOM 120 CG2 ILE A 9 -11.419 13.853 0.843 1.00 1.32 C ATOM 121 CD1 ILE A 9 -13.323 15.486 -1.756 1.00 2.79 C ATOM 0 H ILE A 9 -14.485 12.423 0.692 1.00 1.24 H new ATOM 0 HA ILE A 9 -12.826 12.111 -1.613 1.00 0.74 H new ATOM 0 HB ILE A 9 -13.475 14.087 0.252 1.00 1.44 H new ATOM 0 HG12 ILE A 9 -11.260 15.028 -1.301 1.00 2.68 H new ATOM 0 HG13 ILE A 9 -12.057 13.815 -2.283 1.00 2.68 H new ATOM 0 HG21 ILE A 9 -11.287 14.907 1.087 1.00 1.32 H new ATOM 0 HG22 ILE A 9 -11.670 13.300 1.748 1.00 1.32 H new ATOM 0 HG23 ILE A 9 -10.494 13.459 0.422 1.00 1.32 H new ATOM 0 HD11 ILE A 9 -13.072 16.048 -2.655 1.00 2.79 H new ATOM 0 HD12 ILE A 9 -14.254 14.942 -1.916 1.00 2.79 H new ATOM 0 HD13 ILE A 9 -13.444 16.174 -0.920 1.00 2.79 H new ATOM 133 N THR A 10 -11.694 10.734 1.080 1.00 0.66 N ATOM 134 CA THR A 10 -10.554 9.935 1.624 1.00 0.58 C ATOM 135 C THR A 10 -10.176 8.802 0.665 1.00 0.49 C ATOM 136 O THR A 10 -9.017 8.478 0.508 1.00 0.40 O ATOM 137 CB THR A 10 -10.956 9.323 2.969 1.00 0.58 C ATOM 138 OG1 THR A 10 -11.473 10.343 3.815 1.00 0.60 O ATOM 139 CG2 THR A 10 -9.728 8.684 3.629 1.00 0.62 C ATOM 0 H THR A 10 -12.549 10.701 1.635 1.00 0.66 H new ATOM 0 HA THR A 10 -9.699 10.599 1.747 1.00 0.58 H new ATOM 0 HB THR A 10 -11.718 8.560 2.809 1.00 0.58 H new ATOM 0 HG1 THR A 10 -11.733 9.953 4.676 1.00 0.60 H new ATOM 0 HG21 THR A 10 -10.015 8.249 4.586 1.00 0.62 H new ATOM 0 HG22 THR A 10 -9.331 7.904 2.980 1.00 0.62 H new ATOM 0 HG23 THR A 10 -8.965 9.445 3.791 1.00 0.62 H new ATOM 147 N LEU A 11 -11.138 8.175 0.042 1.00 0.54 N ATOM 148 CA LEU A 11 -10.812 7.047 -0.880 1.00 0.47 C ATOM 149 C LEU A 11 -10.275 7.582 -2.213 1.00 0.45 C ATOM 150 O LEU A 11 -9.362 7.022 -2.787 1.00 0.44 O ATOM 151 CB LEU A 11 -12.070 6.204 -1.120 1.00 0.51 C ATOM 152 CG LEU A 11 -11.728 4.719 -0.957 1.00 0.49 C ATOM 153 CD1 LEU A 11 -11.378 4.421 0.504 1.00 0.44 C ATOM 154 CD2 LEU A 11 -12.933 3.868 -1.359 1.00 0.66 C ATOM 0 H LEU A 11 -12.130 8.393 0.130 1.00 0.54 H new ATOM 0 HA LEU A 11 -10.041 6.426 -0.423 1.00 0.47 H new ATOM 0 HB2 LEU A 11 -12.851 6.488 -0.415 1.00 0.51 H new ATOM 0 HB3 LEU A 11 -12.461 6.391 -2.120 1.00 0.51 H new ATOM 0 HG LEU A 11 -10.876 4.482 -1.594 1.00 0.49 H new ATOM 0 HD11 LEU A 11 -11.136 3.364 0.612 1.00 0.44 H new ATOM 0 HD12 LEU A 11 -10.519 5.022 0.802 1.00 0.44 H new ATOM 0 HD13 LEU A 11 -12.230 4.665 1.139 1.00 0.44 H new ATOM 0 HD21 LEU A 11 -12.688 2.812 -1.242 1.00 0.66 H new ATOM 0 HD22 LEU A 11 -13.782 4.116 -0.722 1.00 0.66 H new ATOM 0 HD23 LEU A 11 -13.189 4.068 -2.399 1.00 0.66 H new ATOM 166 N GLN A 12 -10.823 8.658 -2.711 1.00 0.45 N ATOM 167 CA GLN A 12 -10.322 9.211 -4.005 1.00 0.44 C ATOM 168 C GLN A 12 -8.853 9.610 -3.845 1.00 0.38 C ATOM 169 O GLN A 12 -8.031 9.365 -4.708 1.00 0.40 O ATOM 170 CB GLN A 12 -11.150 10.437 -4.391 1.00 0.53 C ATOM 171 CG GLN A 12 -12.614 10.028 -4.566 1.00 1.42 C ATOM 172 CD GLN A 12 -12.807 9.390 -5.944 1.00 2.21 C ATOM 173 OE1 GLN A 12 -12.595 10.028 -6.955 1.00 2.02 O ATOM 174 NE2 GLN A 12 -13.200 8.148 -6.027 1.00 3.81 N ATOM 0 H GLN A 12 -11.590 9.176 -2.282 1.00 0.45 H new ATOM 0 HA GLN A 12 -10.412 8.457 -4.787 1.00 0.44 H new ATOM 0 HB2 GLN A 12 -11.065 11.204 -3.621 1.00 0.53 H new ATOM 0 HB3 GLN A 12 -10.769 10.870 -5.316 1.00 0.53 H new ATOM 0 HG2 GLN A 12 -12.902 9.324 -3.785 1.00 1.42 H new ATOM 0 HG3 GLN A 12 -13.260 10.900 -4.464 1.00 1.42 H new ATOM 0 HE21 GLN A 12 -13.378 7.612 -5.178 1.00 3.81 H new ATOM 0 HE22 GLN A 12 -13.329 7.714 -6.941 1.00 3.81 H new ATOM 183 N GLU A 13 -8.511 10.204 -2.738 1.00 0.34 N ATOM 184 CA GLU A 13 -7.092 10.593 -2.515 1.00 0.33 C ATOM 185 C GLU A 13 -6.274 9.313 -2.379 1.00 0.28 C ATOM 186 O GLU A 13 -5.196 9.193 -2.915 1.00 0.41 O ATOM 187 CB GLU A 13 -6.974 11.421 -1.232 1.00 0.42 C ATOM 188 CG GLU A 13 -7.943 12.602 -1.295 1.00 0.98 C ATOM 189 CD GLU A 13 -7.151 13.910 -1.320 1.00 0.77 C ATOM 190 OE1 GLU A 13 -6.210 14.026 -0.553 1.00 0.87 O ATOM 191 OE2 GLU A 13 -7.500 14.776 -2.106 1.00 1.79 O ATOM 0 H GLU A 13 -9.151 10.437 -1.979 1.00 0.34 H new ATOM 0 HA GLU A 13 -6.727 11.194 -3.348 1.00 0.33 H new ATOM 0 HB2 GLU A 13 -7.197 10.800 -0.364 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -5.952 11.781 -1.112 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -8.568 12.526 -2.184 1.00 0.98 H new ATOM 0 HG3 GLU A 13 -8.611 12.585 -0.433 1.00 0.98 H new ATOM 198 N ILE A 14 -6.806 8.345 -1.682 1.00 0.22 N ATOM 199 CA ILE A 14 -6.096 7.045 -1.515 1.00 0.22 C ATOM 200 C ILE A 14 -5.854 6.419 -2.893 1.00 0.27 C ATOM 201 O ILE A 14 -4.998 5.575 -3.058 1.00 0.41 O ATOM 202 CB ILE A 14 -6.978 6.110 -0.671 1.00 0.25 C ATOM 203 CG1 ILE A 14 -6.233 5.705 0.600 1.00 0.59 C ATOM 204 CG2 ILE A 14 -7.331 4.849 -1.468 1.00 0.68 C ATOM 205 CD1 ILE A 14 -7.242 5.201 1.633 1.00 0.82 C ATOM 0 H ILE A 14 -7.712 8.401 -1.217 1.00 0.22 H new ATOM 0 HA ILE A 14 -5.138 7.200 -1.019 1.00 0.22 H new ATOM 0 HB ILE A 14 -7.894 6.639 -0.410 1.00 0.25 H new ATOM 0 HG12 ILE A 14 -5.503 4.927 0.376 1.00 0.59 H new ATOM 0 HG13 ILE A 14 -5.680 6.555 0.999 1.00 0.59 H new ATOM 0 HG21 ILE A 14 -7.956 4.196 -0.858 1.00 0.68 H new ATOM 0 HG22 ILE A 14 -7.873 5.129 -2.371 1.00 0.68 H new ATOM 0 HG23 ILE A 14 -6.416 4.324 -1.742 1.00 0.68 H new ATOM 0 HD11 ILE A 14 -6.717 4.910 2.543 1.00 0.82 H new ATOM 0 HD12 ILE A 14 -7.954 5.994 1.863 1.00 0.82 H new ATOM 0 HD13 ILE A 14 -7.775 4.340 1.231 1.00 0.82 H new ATOM 217 N ILE A 15 -6.613 6.815 -3.882 1.00 0.41 N ATOM 218 CA ILE A 15 -6.435 6.237 -5.241 1.00 0.50 C ATOM 219 C ILE A 15 -5.246 6.904 -5.935 1.00 0.43 C ATOM 220 O ILE A 15 -4.433 6.253 -6.558 1.00 0.49 O ATOM 221 CB ILE A 15 -7.705 6.484 -6.057 1.00 0.64 C ATOM 222 CG1 ILE A 15 -8.757 5.436 -5.694 1.00 0.82 C ATOM 223 CG2 ILE A 15 -7.385 6.388 -7.547 1.00 0.54 C ATOM 224 CD1 ILE A 15 -10.066 5.760 -6.416 1.00 1.37 C ATOM 0 H ILE A 15 -7.350 7.516 -3.803 1.00 0.41 H new ATOM 0 HA ILE A 15 -6.247 5.166 -5.161 1.00 0.50 H new ATOM 0 HB ILE A 15 -8.090 7.479 -5.833 1.00 0.64 H new ATOM 0 HG12 ILE A 15 -8.409 4.442 -5.976 1.00 0.82 H new ATOM 0 HG13 ILE A 15 -8.917 5.423 -4.616 1.00 0.82 H new ATOM 0 HG21 ILE A 15 -8.292 6.564 -8.126 1.00 0.54 H new ATOM 0 HG22 ILE A 15 -6.637 7.137 -7.807 1.00 0.54 H new ATOM 0 HG23 ILE A 15 -6.998 5.394 -7.773 1.00 0.54 H new ATOM 0 HD11 ILE A 15 -10.818 5.014 -6.159 1.00 1.37 H new ATOM 0 HD12 ILE A 15 -10.415 6.747 -6.111 1.00 1.37 H new ATOM 0 HD13 ILE A 15 -9.899 5.751 -7.493 1.00 1.37 H new ATOM 236 N LYS A 16 -5.147 8.202 -5.841 1.00 0.39 N ATOM 237 CA LYS A 16 -4.018 8.918 -6.506 1.00 0.38 C ATOM 238 C LYS A 16 -2.693 8.594 -5.799 1.00 0.34 C ATOM 239 O LYS A 16 -1.633 8.652 -6.393 1.00 0.54 O ATOM 240 CB LYS A 16 -4.279 10.425 -6.441 1.00 0.45 C ATOM 241 CG LYS A 16 -5.399 10.792 -7.417 1.00 0.53 C ATOM 242 CD LYS A 16 -5.870 12.223 -7.143 1.00 0.71 C ATOM 243 CE LYS A 16 -7.396 12.288 -7.244 1.00 1.00 C ATOM 244 NZ LYS A 16 -7.788 13.404 -8.148 1.00 1.22 N ATOM 0 H LYS A 16 -5.799 8.799 -5.332 1.00 0.39 H new ATOM 0 HA LYS A 16 -3.948 8.596 -7.545 1.00 0.38 H new ATOM 0 HB2 LYS A 16 -4.557 10.713 -5.427 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -3.371 10.973 -6.691 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -5.043 10.706 -8.444 1.00 0.53 H new ATOM 0 HG3 LYS A 16 -6.232 10.097 -7.309 1.00 0.53 H new ATOM 0 HD2 LYS A 16 -5.547 12.540 -6.151 1.00 0.71 H new ATOM 0 HD3 LYS A 16 -5.418 12.909 -7.859 1.00 0.71 H new ATOM 0 HE2 LYS A 16 -7.786 11.344 -7.624 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -7.830 12.437 -6.255 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -8.825 13.448 -8.216 1.00 1.22 H new ATOM 0 HZ2 LYS A 16 -7.428 14.302 -7.767 1.00 1.22 H new ATOM 0 HZ3 LYS A 16 -7.385 13.243 -9.093 1.00 1.22 H new ATOM 258 N THR A 17 -2.743 8.250 -4.542 1.00 0.25 N ATOM 259 CA THR A 17 -1.487 7.920 -3.803 1.00 0.24 C ATOM 260 C THR A 17 -1.097 6.471 -4.109 1.00 0.20 C ATOM 261 O THR A 17 0.050 6.168 -4.389 1.00 0.32 O ATOM 262 CB THR A 17 -1.716 8.103 -2.295 1.00 0.21 C ATOM 263 OG1 THR A 17 -2.918 8.825 -2.085 1.00 0.55 O ATOM 264 CG2 THR A 17 -0.553 8.891 -1.694 1.00 0.73 C ATOM 0 H THR A 17 -3.599 8.182 -3.992 1.00 0.25 H new ATOM 0 HA THR A 17 -0.682 8.584 -4.118 1.00 0.24 H new ATOM 0 HB THR A 17 -1.783 7.125 -1.820 1.00 0.21 H new ATOM 0 HG1 THR A 17 -3.685 8.236 -2.244 1.00 0.55 H new ATOM 0 HG21 THR A 17 -0.716 9.021 -0.624 1.00 0.73 H new ATOM 0 HG22 THR A 17 0.377 8.347 -1.856 1.00 0.73 H new ATOM 0 HG23 THR A 17 -0.490 9.868 -2.172 1.00 0.73 H new ATOM 272 N LEU A 18 -2.048 5.578 -4.088 1.00 0.16 N ATOM 273 CA LEU A 18 -1.737 4.157 -4.404 1.00 0.23 C ATOM 274 C LEU A 18 -1.139 4.090 -5.807 1.00 0.38 C ATOM 275 O LEU A 18 -0.291 3.269 -6.098 1.00 0.63 O ATOM 276 CB LEU A 18 -3.012 3.323 -4.364 1.00 0.37 C ATOM 277 CG LEU A 18 -2.658 1.889 -3.965 1.00 0.57 C ATOM 278 CD1 LEU A 18 -3.111 1.622 -2.527 1.00 2.59 C ATOM 279 CD2 LEU A 18 -3.348 0.904 -4.909 1.00 1.67 C ATOM 0 H LEU A 18 -3.025 5.771 -3.866 1.00 0.16 H new ATOM 0 HA LEU A 18 -1.032 3.765 -3.671 1.00 0.23 H new ATOM 0 HB2 LEU A 18 -3.718 3.749 -3.651 1.00 0.37 H new ATOM 0 HB3 LEU A 18 -3.499 3.333 -5.339 1.00 0.37 H new ATOM 0 HG LEU A 18 -1.578 1.758 -4.032 1.00 0.57 H new ATOM 0 HD11 LEU A 18 -2.856 0.599 -2.249 1.00 2.59 H new ATOM 0 HD12 LEU A 18 -2.610 2.317 -1.853 1.00 2.59 H new ATOM 0 HD13 LEU A 18 -4.190 1.760 -2.454 1.00 2.59 H new ATOM 0 HD21 LEU A 18 -3.093 -0.116 -4.621 1.00 1.67 H new ATOM 0 HD22 LEU A 18 -4.428 1.038 -4.849 1.00 1.67 H new ATOM 0 HD23 LEU A 18 -3.016 1.086 -5.931 1.00 1.67 H new ATOM 291 N ASN A 19 -1.583 4.956 -6.679 1.00 0.30 N ATOM 292 CA ASN A 19 -1.053 4.961 -8.071 1.00 0.47 C ATOM 293 C ASN A 19 0.281 5.706 -8.111 1.00 0.50 C ATOM 294 O ASN A 19 1.112 5.458 -8.960 1.00 0.65 O ATOM 295 CB ASN A 19 -2.050 5.670 -8.990 1.00 0.63 C ATOM 296 CG ASN A 19 -1.717 5.348 -10.447 1.00 0.49 C ATOM 297 OD1 ASN A 19 -0.569 5.396 -10.845 1.00 0.87 O ATOM 298 ND2 ASN A 19 -2.678 5.020 -11.265 1.00 1.32 N ATOM 0 H ASN A 19 -2.293 5.662 -6.485 1.00 0.30 H new ATOM 0 HA ASN A 19 -0.907 3.934 -8.405 1.00 0.47 H new ATOM 0 HB2 ASN A 19 -3.066 5.350 -8.758 1.00 0.63 H new ATOM 0 HB3 ASN A 19 -2.010 6.747 -8.826 1.00 0.63 H new ATOM 0 HD21 ASN A 19 -2.467 4.804 -12.239 1.00 1.32 H new ATOM 0 HD22 ASN A 19 -3.641 4.980 -10.931 1.00 1.32 H new ATOM 305 N SER A 20 0.494 6.623 -7.206 1.00 0.41 N ATOM 306 CA SER A 20 1.777 7.378 -7.206 1.00 0.53 C ATOM 307 C SER A 20 2.938 6.409 -6.962 1.00 0.68 C ATOM 308 O SER A 20 4.035 6.606 -7.447 1.00 0.80 O ATOM 309 CB SER A 20 1.749 8.432 -6.096 1.00 0.41 C ATOM 310 OG SER A 20 2.652 9.483 -6.419 1.00 0.94 O ATOM 0 H SER A 20 -0.163 6.880 -6.470 1.00 0.41 H new ATOM 0 HA SER A 20 1.910 7.870 -8.170 1.00 0.53 H new ATOM 0 HB2 SER A 20 0.740 8.827 -5.980 1.00 0.41 H new ATOM 0 HB3 SER A 20 2.025 7.980 -5.143 1.00 0.41 H new ATOM 0 HG SER A 20 2.634 10.159 -5.710 1.00 0.94 H new ATOM 316 N LEU A 21 2.707 5.368 -6.207 1.00 0.72 N ATOM 317 CA LEU A 21 3.802 4.390 -5.922 1.00 0.91 C ATOM 318 C LEU A 21 4.248 3.681 -7.210 1.00 1.03 C ATOM 319 O LEU A 21 5.355 3.193 -7.302 1.00 1.20 O ATOM 320 CB LEU A 21 3.294 3.321 -4.948 1.00 1.12 C ATOM 321 CG LEU A 21 3.727 3.627 -3.513 1.00 1.30 C ATOM 322 CD1 LEU A 21 3.279 2.473 -2.615 1.00 2.19 C ATOM 323 CD2 LEU A 21 5.251 3.760 -3.433 1.00 1.99 C ATOM 0 H LEU A 21 1.809 5.151 -5.775 1.00 0.72 H new ATOM 0 HA LEU A 21 4.642 4.938 -5.495 1.00 0.91 H new ATOM 0 HB2 LEU A 21 2.207 3.267 -4.998 1.00 1.12 H new ATOM 0 HB3 LEU A 21 3.676 2.344 -5.245 1.00 1.12 H new ATOM 0 HG LEU A 21 3.274 4.565 -3.190 1.00 1.30 H new ATOM 0 HD11 LEU A 21 3.580 2.674 -1.587 1.00 2.19 H new ATOM 0 HD12 LEU A 21 2.195 2.374 -2.663 1.00 2.19 H new ATOM 0 HD13 LEU A 21 3.743 1.547 -2.954 1.00 2.19 H new ATOM 0 HD21 LEU A 21 5.544 3.978 -2.406 1.00 1.99 H new ATOM 0 HD22 LEU A 21 5.715 2.827 -3.753 1.00 1.99 H new ATOM 0 HD23 LEU A 21 5.580 4.570 -4.084 1.00 1.99 H new ATOM 335 N THR A 22 3.386 3.585 -8.186 1.00 0.98 N ATOM 336 CA THR A 22 3.757 2.867 -9.445 1.00 1.12 C ATOM 337 C THR A 22 4.890 3.587 -10.188 1.00 0.98 C ATOM 338 O THR A 22 5.610 2.980 -10.956 1.00 0.86 O ATOM 339 CB THR A 22 2.533 2.770 -10.362 1.00 1.25 C ATOM 340 OG1 THR A 22 2.125 4.072 -10.754 1.00 2.52 O ATOM 341 CG2 THR A 22 1.389 2.074 -9.624 1.00 1.23 C ATOM 0 H THR A 22 2.442 3.971 -8.169 1.00 0.98 H new ATOM 0 HA THR A 22 4.104 1.870 -9.174 1.00 1.12 H new ATOM 0 HB THR A 22 2.794 2.192 -11.248 1.00 1.25 H new ATOM 0 HG1 THR A 22 1.322 4.328 -10.254 1.00 2.52 H new ATOM 0 HG21 THR A 22 0.521 2.007 -10.279 1.00 1.23 H new ATOM 0 HG22 THR A 22 1.701 1.071 -9.332 1.00 1.23 H new ATOM 0 HG23 THR A 22 1.128 2.647 -8.734 1.00 1.23 H new ATOM 349 N GLU A 23 5.056 4.865 -9.990 1.00 1.07 N ATOM 350 CA GLU A 23 6.146 5.587 -10.718 1.00 0.96 C ATOM 351 C GLU A 23 7.527 5.064 -10.278 1.00 0.76 C ATOM 352 O GLU A 23 8.517 5.274 -10.951 1.00 0.85 O ATOM 353 CB GLU A 23 6.036 7.091 -10.444 1.00 1.16 C ATOM 354 CG GLU A 23 6.664 7.870 -11.602 1.00 1.46 C ATOM 355 CD GLU A 23 7.978 8.503 -11.139 1.00 1.63 C ATOM 356 OE1 GLU A 23 7.949 9.231 -10.161 1.00 1.33 O ATOM 357 OE2 GLU A 23 8.991 8.249 -11.770 1.00 2.94 O ATOM 0 H GLU A 23 4.492 5.439 -9.363 1.00 1.07 H new ATOM 0 HA GLU A 23 6.038 5.408 -11.788 1.00 0.96 H new ATOM 0 HB2 GLU A 23 4.990 7.374 -10.327 1.00 1.16 H new ATOM 0 HB3 GLU A 23 6.540 7.339 -9.510 1.00 1.16 H new ATOM 0 HG2 GLU A 23 6.846 7.204 -12.446 1.00 1.46 H new ATOM 0 HG3 GLU A 23 5.978 8.643 -11.949 1.00 1.46 H new ATOM 364 N GLN A 24 7.605 4.377 -9.166 1.00 0.76 N ATOM 365 CA GLN A 24 8.920 3.836 -8.701 1.00 0.61 C ATOM 366 C GLN A 24 8.710 2.432 -8.140 1.00 0.48 C ATOM 367 O GLN A 24 9.009 2.155 -6.995 1.00 0.59 O ATOM 368 CB GLN A 24 9.488 4.737 -7.607 1.00 0.84 C ATOM 369 CG GLN A 24 8.512 4.795 -6.431 1.00 2.79 C ATOM 370 CD GLN A 24 8.067 6.241 -6.210 1.00 4.16 C ATOM 371 OE1 GLN A 24 8.359 6.832 -5.191 1.00 4.64 O ATOM 372 NE2 GLN A 24 7.365 6.836 -7.132 1.00 5.16 N ATOM 0 H GLN A 24 6.813 4.167 -8.558 1.00 0.76 H new ATOM 0 HA GLN A 24 9.618 3.801 -9.538 1.00 0.61 H new ATOM 0 HB2 GLN A 24 10.453 4.356 -7.273 1.00 0.84 H new ATOM 0 HB3 GLN A 24 9.659 5.739 -8.000 1.00 0.84 H new ATOM 0 HG2 GLN A 24 7.647 4.163 -6.631 1.00 2.79 H new ATOM 0 HG3 GLN A 24 8.988 4.408 -5.530 1.00 2.79 H new ATOM 0 HE21 GLN A 24 7.120 6.338 -7.988 1.00 5.16 H new ATOM 0 HE22 GLN A 24 7.060 7.800 -6.998 1.00 5.16 H new ATOM 381 N LYS A 25 8.193 1.545 -8.941 1.00 0.32 N ATOM 382 CA LYS A 25 7.950 0.155 -8.466 1.00 0.23 C ATOM 383 C LYS A 25 8.756 -0.824 -9.321 1.00 0.28 C ATOM 384 O LYS A 25 8.254 -1.401 -10.264 1.00 0.51 O ATOM 385 CB LYS A 25 6.453 -0.159 -8.581 1.00 0.36 C ATOM 386 CG LYS A 25 6.218 -1.666 -8.435 1.00 1.54 C ATOM 387 CD LYS A 25 4.774 -1.914 -7.993 1.00 2.11 C ATOM 388 CE LYS A 25 3.883 -2.078 -9.227 1.00 2.13 C ATOM 389 NZ LYS A 25 2.901 -0.958 -9.283 1.00 2.20 N ATOM 0 H LYS A 25 7.927 1.723 -9.909 1.00 0.32 H new ATOM 0 HA LYS A 25 8.262 0.058 -7.426 1.00 0.23 H new ATOM 0 HB2 LYS A 25 5.900 0.379 -7.811 1.00 0.36 H new ATOM 0 HB3 LYS A 25 6.074 0.184 -9.544 1.00 0.36 H new ATOM 0 HG2 LYS A 25 6.412 -2.169 -9.382 1.00 1.54 H new ATOM 0 HG3 LYS A 25 6.911 -2.084 -7.705 1.00 1.54 H new ATOM 0 HD2 LYS A 25 4.721 -2.808 -7.372 1.00 2.11 H new ATOM 0 HD3 LYS A 25 4.421 -1.082 -7.384 1.00 2.11 H new ATOM 0 HE2 LYS A 25 4.493 -2.087 -10.130 1.00 2.13 H new ATOM 0 HE3 LYS A 25 3.359 -3.033 -9.186 1.00 2.13 H new ATOM 0 HZ1 LYS A 25 2.126 -1.207 -9.931 1.00 2.20 H new ATOM 0 HZ2 LYS A 25 2.516 -0.786 -8.332 1.00 2.20 H new ATOM 0 HZ3 LYS A 25 3.375 -0.098 -9.625 1.00 2.20 H new ATOM 403 N THR A 26 10.008 -1.012 -9.004 1.00 0.21 N ATOM 404 CA THR A 26 10.845 -1.955 -9.802 1.00 0.29 C ATOM 405 C THR A 26 12.168 -2.197 -9.079 1.00 0.25 C ATOM 406 O THR A 26 12.661 -3.306 -9.015 1.00 0.33 O ATOM 407 CB THR A 26 11.137 -1.361 -11.188 1.00 0.38 C ATOM 408 OG1 THR A 26 10.353 -0.195 -11.399 1.00 0.77 O ATOM 409 CG2 THR A 26 10.811 -2.396 -12.265 1.00 1.08 C ATOM 0 H THR A 26 10.488 -0.555 -8.229 1.00 0.21 H new ATOM 0 HA THR A 26 10.304 -2.894 -9.918 1.00 0.29 H new ATOM 0 HB THR A 26 12.192 -1.093 -11.243 1.00 0.38 H new ATOM 0 HG1 THR A 26 10.549 0.175 -12.285 1.00 0.77 H new ATOM 0 HG21 THR A 26 11.018 -1.975 -13.249 1.00 1.08 H new ATOM 0 HG22 THR A 26 11.425 -3.284 -12.114 1.00 1.08 H new ATOM 0 HG23 THR A 26 9.757 -2.668 -12.201 1.00 1.08 H new ATOM 417 N LEU A 27 12.757 -1.162 -8.552 1.00 0.22 N ATOM 418 CA LEU A 27 14.060 -1.317 -7.851 1.00 0.19 C ATOM 419 C LEU A 27 13.846 -1.588 -6.360 1.00 0.13 C ATOM 420 O LEU A 27 14.481 -2.448 -5.783 1.00 0.21 O ATOM 421 CB LEU A 27 14.868 -0.030 -8.030 1.00 0.28 C ATOM 422 CG LEU A 27 16.291 -0.381 -8.467 1.00 0.50 C ATOM 423 CD1 LEU A 27 16.816 0.703 -9.409 1.00 1.10 C ATOM 424 CD2 LEU A 27 17.198 -0.472 -7.238 1.00 0.60 C ATOM 0 H LEU A 27 12.390 -0.211 -8.577 1.00 0.22 H new ATOM 0 HA LEU A 27 14.598 -2.164 -8.277 1.00 0.19 H new ATOM 0 HB2 LEU A 27 14.394 0.609 -8.775 1.00 0.28 H new ATOM 0 HB3 LEU A 27 14.891 0.531 -7.096 1.00 0.28 H new ATOM 0 HG LEU A 27 16.285 -1.341 -8.983 1.00 0.50 H new ATOM 0 HD11 LEU A 27 17.830 0.454 -9.721 1.00 1.10 H new ATOM 0 HD12 LEU A 27 16.172 0.766 -10.286 1.00 1.10 H new ATOM 0 HD13 LEU A 27 16.821 1.663 -8.892 1.00 1.10 H new ATOM 0 HD21 LEU A 27 18.212 -0.722 -7.551 1.00 0.60 H new ATOM 0 HD22 LEU A 27 17.205 0.487 -6.719 1.00 0.60 H new ATOM 0 HD23 LEU A 27 16.825 -1.245 -6.567 1.00 0.60 H new ATOM 436 N CYS A 28 12.969 -0.865 -5.728 1.00 0.10 N ATOM 437 CA CYS A 28 12.740 -1.094 -4.270 1.00 0.25 C ATOM 438 C CYS A 28 11.647 -2.153 -4.063 1.00 0.22 C ATOM 439 O CYS A 28 11.491 -2.681 -2.979 1.00 0.30 O ATOM 440 CB CYS A 28 12.326 0.216 -3.598 1.00 0.48 C ATOM 441 SG CYS A 28 13.808 1.185 -3.204 1.00 1.28 S ATOM 0 H CYS A 28 12.402 -0.129 -6.150 1.00 0.10 H new ATOM 0 HA CYS A 28 13.666 -1.452 -3.821 1.00 0.25 H new ATOM 0 HB2 CYS A 28 11.671 0.785 -4.258 1.00 0.48 H new ATOM 0 HB3 CYS A 28 11.761 0.009 -2.689 1.00 0.48 H new ATOM 446 N THR A 29 10.899 -2.483 -5.085 1.00 0.23 N ATOM 447 CA THR A 29 9.836 -3.517 -4.927 1.00 0.38 C ATOM 448 C THR A 29 10.417 -4.914 -5.185 1.00 0.34 C ATOM 449 O THR A 29 9.688 -5.879 -5.304 1.00 0.45 O ATOM 450 CB THR A 29 8.713 -3.249 -5.930 1.00 0.57 C ATOM 451 OG1 THR A 29 9.276 -2.789 -7.151 1.00 0.79 O ATOM 452 CG2 THR A 29 7.772 -2.183 -5.366 1.00 0.83 C ATOM 0 H THR A 29 10.979 -2.081 -6.019 1.00 0.23 H new ATOM 0 HA THR A 29 9.446 -3.471 -3.910 1.00 0.38 H new ATOM 0 HB THR A 29 8.153 -4.167 -6.110 1.00 0.57 H new ATOM 0 HG1 THR A 29 9.175 -3.480 -7.839 1.00 0.79 H new ATOM 0 HG21 THR A 29 6.971 -1.991 -6.080 1.00 0.83 H new ATOM 0 HG22 THR A 29 7.345 -2.535 -4.427 1.00 0.83 H new ATOM 0 HG23 THR A 29 8.329 -1.263 -5.189 1.00 0.83 H new ATOM 460 N GLU A 30 11.718 -5.039 -5.279 1.00 0.25 N ATOM 461 CA GLU A 30 12.320 -6.374 -5.533 1.00 0.36 C ATOM 462 C GLU A 30 12.613 -7.062 -4.197 1.00 0.26 C ATOM 463 O GLU A 30 13.747 -7.326 -3.849 1.00 0.28 O ATOM 464 CB GLU A 30 13.613 -6.190 -6.335 1.00 0.49 C ATOM 465 CG GLU A 30 13.358 -6.542 -7.804 1.00 1.97 C ATOM 466 CD GLU A 30 14.590 -7.239 -8.386 1.00 2.34 C ATOM 467 OE1 GLU A 30 15.654 -6.645 -8.348 1.00 2.11 O ATOM 468 OE2 GLU A 30 14.446 -8.353 -8.864 1.00 3.12 O ATOM 0 H GLU A 30 12.384 -4.272 -5.190 1.00 0.25 H new ATOM 0 HA GLU A 30 11.630 -6.997 -6.103 1.00 0.36 H new ATOM 0 HB2 GLU A 30 13.962 -5.161 -6.252 1.00 0.49 H new ATOM 0 HB3 GLU A 30 14.399 -6.826 -5.929 1.00 0.49 H new ATOM 0 HG2 GLU A 30 12.487 -7.192 -7.887 1.00 1.97 H new ATOM 0 HG3 GLU A 30 13.137 -5.638 -8.372 1.00 1.97 H new ATOM 475 N LEU A 31 11.583 -7.363 -3.455 1.00 0.70 N ATOM 476 CA LEU A 31 11.753 -8.044 -2.145 1.00 0.70 C ATOM 477 C LEU A 31 10.420 -8.698 -1.785 1.00 0.61 C ATOM 478 O LEU A 31 9.502 -8.051 -1.323 1.00 1.03 O ATOM 479 CB LEU A 31 12.175 -7.068 -1.023 1.00 0.65 C ATOM 480 CG LEU A 31 11.953 -5.590 -1.398 1.00 1.08 C ATOM 481 CD1 LEU A 31 10.810 -5.021 -0.559 1.00 1.91 C ATOM 482 CD2 LEU A 31 13.232 -4.803 -1.095 1.00 1.07 C ATOM 0 H LEU A 31 10.616 -7.161 -3.708 1.00 0.70 H new ATOM 0 HA LEU A 31 12.550 -8.782 -2.234 1.00 0.70 H new ATOM 0 HB2 LEU A 31 11.611 -7.297 -0.119 1.00 0.65 H new ATOM 0 HB3 LEU A 31 13.228 -7.224 -0.790 1.00 0.65 H new ATOM 0 HG LEU A 31 11.706 -5.512 -2.457 1.00 1.08 H new ATOM 0 HD11 LEU A 31 10.651 -3.975 -0.822 1.00 1.91 H new ATOM 0 HD12 LEU A 31 9.899 -5.587 -0.754 1.00 1.91 H new ATOM 0 HD13 LEU A 31 11.064 -5.094 0.499 1.00 1.91 H new ATOM 0 HD21 LEU A 31 13.085 -3.755 -1.357 1.00 1.07 H new ATOM 0 HD22 LEU A 31 13.465 -4.882 -0.033 1.00 1.07 H new ATOM 0 HD23 LEU A 31 14.057 -5.211 -1.679 1.00 1.07 H new ATOM 494 N THR A 32 10.314 -9.973 -2.038 1.00 0.99 N ATOM 495 CA THR A 32 9.050 -10.726 -1.769 1.00 0.85 C ATOM 496 C THR A 32 8.454 -10.372 -0.401 1.00 0.69 C ATOM 497 O THR A 32 9.145 -9.997 0.524 1.00 0.66 O ATOM 498 CB THR A 32 9.352 -12.224 -1.821 1.00 1.10 C ATOM 499 OG1 THR A 32 10.499 -12.501 -1.028 1.00 1.29 O ATOM 500 CG2 THR A 32 9.619 -12.635 -3.271 1.00 1.08 C ATOM 0 H THR A 32 11.066 -10.540 -2.429 1.00 0.99 H new ATOM 0 HA THR A 32 8.318 -10.451 -2.528 1.00 0.85 H new ATOM 0 HB THR A 32 8.501 -12.785 -1.435 1.00 1.10 H new ATOM 0 HG1 THR A 32 10.694 -13.461 -1.058 1.00 1.29 H new ATOM 0 HG21 THR A 32 9.835 -13.703 -3.313 1.00 1.08 H new ATOM 0 HG22 THR A 32 8.740 -12.418 -3.878 1.00 1.08 H new ATOM 0 HG23 THR A 32 10.472 -12.077 -3.656 1.00 1.08 H new ATOM 508 N VAL A 33 7.157 -10.495 -0.288 1.00 0.72 N ATOM 509 CA VAL A 33 6.456 -10.183 0.990 1.00 0.71 C ATOM 510 C VAL A 33 5.309 -11.201 1.177 1.00 0.70 C ATOM 511 O VAL A 33 5.492 -12.378 0.937 1.00 0.95 O ATOM 512 CB VAL A 33 5.915 -8.752 0.921 1.00 0.70 C ATOM 513 CG1 VAL A 33 7.074 -7.777 0.706 1.00 0.68 C ATOM 514 CG2 VAL A 33 4.931 -8.636 -0.244 1.00 0.72 C ATOM 0 H VAL A 33 6.544 -10.804 -1.043 1.00 0.72 H new ATOM 0 HA VAL A 33 7.136 -10.255 1.839 1.00 0.71 H new ATOM 0 HB VAL A 33 5.406 -8.511 1.854 1.00 0.70 H new ATOM 0 HG11 VAL A 33 6.688 -6.759 0.657 1.00 0.68 H new ATOM 0 HG12 VAL A 33 7.777 -7.859 1.535 1.00 0.68 H new ATOM 0 HG13 VAL A 33 7.583 -8.017 -0.227 1.00 0.68 H new ATOM 0 HG21 VAL A 33 4.545 -7.618 -0.294 1.00 0.72 H new ATOM 0 HG22 VAL A 33 5.441 -8.877 -1.177 1.00 0.72 H new ATOM 0 HG23 VAL A 33 4.104 -9.330 -0.093 1.00 0.72 H new ATOM 524 N THR A 34 4.135 -10.784 1.604 1.00 0.50 N ATOM 525 CA THR A 34 3.028 -11.770 1.794 1.00 0.52 C ATOM 526 C THR A 34 1.827 -11.405 0.915 1.00 0.64 C ATOM 527 O THR A 34 1.403 -10.269 0.861 1.00 0.86 O ATOM 528 CB THR A 34 2.595 -11.764 3.269 1.00 0.53 C ATOM 529 OG1 THR A 34 3.004 -12.977 3.885 1.00 0.52 O ATOM 530 CG2 THR A 34 1.069 -11.623 3.376 1.00 0.66 C ATOM 0 H THR A 34 3.902 -9.816 1.825 1.00 0.50 H new ATOM 0 HA THR A 34 3.385 -12.760 1.510 1.00 0.52 H new ATOM 0 HB THR A 34 3.063 -10.918 3.773 1.00 0.53 H new ATOM 0 HG1 THR A 34 2.377 -13.207 4.603 1.00 0.52 H new ATOM 0 HG21 THR A 34 0.777 -11.620 4.426 1.00 0.66 H new ATOM 0 HG22 THR A 34 0.756 -10.689 2.910 1.00 0.66 H new ATOM 0 HG23 THR A 34 0.590 -12.460 2.868 1.00 0.66 H new ATOM 538 N ASP A 35 1.251 -12.379 0.257 1.00 0.59 N ATOM 539 CA ASP A 35 0.050 -12.108 -0.582 1.00 0.79 C ATOM 540 C ASP A 35 -1.149 -11.968 0.357 1.00 0.89 C ATOM 541 O ASP A 35 -1.175 -12.559 1.418 1.00 1.38 O ATOM 542 CB ASP A 35 -0.190 -13.279 -1.542 1.00 1.17 C ATOM 543 CG ASP A 35 -0.664 -12.748 -2.897 1.00 1.02 C ATOM 544 OD1 ASP A 35 0.167 -12.251 -3.641 1.00 1.01 O ATOM 545 OD2 ASP A 35 -1.848 -12.848 -3.170 1.00 1.88 O ATOM 0 H ASP A 35 1.563 -13.350 0.266 1.00 0.59 H new ATOM 0 HA ASP A 35 0.193 -11.200 -1.168 1.00 0.79 H new ATOM 0 HB2 ASP A 35 0.728 -13.853 -1.667 1.00 1.17 H new ATOM 0 HB3 ASP A 35 -0.935 -13.956 -1.125 1.00 1.17 H new ATOM 550 N ILE A 36 -2.133 -11.193 0.003 1.00 0.80 N ATOM 551 CA ILE A 36 -3.293 -11.039 0.924 1.00 0.86 C ATOM 552 C ILE A 36 -4.609 -11.026 0.136 1.00 1.22 C ATOM 553 O ILE A 36 -5.603 -10.490 0.581 1.00 1.42 O ATOM 554 CB ILE A 36 -3.123 -9.737 1.721 1.00 0.68 C ATOM 555 CG1 ILE A 36 -3.490 -8.518 0.857 1.00 0.75 C ATOM 556 CG2 ILE A 36 -1.660 -9.616 2.152 1.00 0.34 C ATOM 557 CD1 ILE A 36 -3.312 -7.233 1.674 1.00 0.82 C ATOM 0 H ILE A 36 -2.187 -10.667 -0.869 1.00 0.80 H new ATOM 0 HA ILE A 36 -3.329 -11.884 1.612 1.00 0.86 H new ATOM 0 HB ILE A 36 -3.782 -9.763 2.589 1.00 0.68 H new ATOM 0 HG12 ILE A 36 -2.859 -8.486 -0.031 1.00 0.75 H new ATOM 0 HG13 ILE A 36 -4.521 -8.601 0.512 1.00 0.75 H new ATOM 0 HG21 ILE A 36 -1.523 -8.696 2.720 1.00 0.34 H new ATOM 0 HG22 ILE A 36 -1.392 -10.470 2.775 1.00 0.34 H new ATOM 0 HG23 ILE A 36 -1.021 -9.596 1.269 1.00 0.34 H new ATOM 0 HD11 ILE A 36 -3.573 -6.372 1.059 1.00 0.82 H new ATOM 0 HD12 ILE A 36 -3.962 -7.265 2.548 1.00 0.82 H new ATOM 0 HD13 ILE A 36 -2.274 -7.148 1.996 1.00 0.82 H new ATOM 569 N PHE A 37 -4.631 -11.627 -1.023 1.00 1.43 N ATOM 570 CA PHE A 37 -5.888 -11.648 -1.823 1.00 1.76 C ATOM 571 C PHE A 37 -6.379 -13.089 -1.990 1.00 2.27 C ATOM 572 O PHE A 37 -6.837 -13.481 -3.045 1.00 2.38 O ATOM 573 CB PHE A 37 -5.623 -11.030 -3.195 1.00 1.67 C ATOM 574 CG PHE A 37 -5.161 -9.605 -3.011 1.00 1.21 C ATOM 575 CD1 PHE A 37 -5.995 -8.681 -2.369 1.00 1.25 C ATOM 576 CD2 PHE A 37 -3.902 -9.207 -3.474 1.00 0.96 C ATOM 577 CE1 PHE A 37 -5.571 -7.360 -2.192 1.00 0.89 C ATOM 578 CE2 PHE A 37 -3.478 -7.885 -3.296 1.00 0.60 C ATOM 579 CZ PHE A 37 -4.312 -6.961 -2.655 1.00 0.38 C ATOM 0 H PHE A 37 -3.836 -12.103 -1.449 1.00 1.43 H new ATOM 0 HA PHE A 37 -6.655 -11.073 -1.305 1.00 1.76 H new ATOM 0 HB2 PHE A 37 -4.866 -11.606 -3.727 1.00 1.67 H new ATOM 0 HB3 PHE A 37 -6.528 -11.057 -3.801 1.00 1.67 H new ATOM 0 HD1 PHE A 37 -6.966 -8.989 -2.010 1.00 1.25 H new ATOM 0 HD2 PHE A 37 -3.258 -9.919 -3.968 1.00 0.96 H new ATOM 0 HE1 PHE A 37 -6.215 -6.648 -1.698 1.00 0.89 H new ATOM 0 HE2 PHE A 37 -2.506 -7.577 -3.654 1.00 0.60 H new ATOM 0 HZ PHE A 37 -3.984 -5.941 -2.518 1.00 0.38 H new ATOM 589 N ALA A 38 -6.294 -13.876 -0.952 1.00 2.62 N ATOM 590 CA ALA A 38 -6.763 -15.289 -1.042 1.00 3.15 C ATOM 591 C ALA A 38 -8.192 -15.398 -0.484 1.00 3.48 C ATOM 592 O ALA A 38 -8.885 -16.366 -0.723 1.00 3.87 O ATOM 593 CB ALA A 38 -5.826 -16.189 -0.233 1.00 3.35 C ATOM 0 H ALA A 38 -5.919 -13.601 -0.044 1.00 2.62 H new ATOM 0 HA ALA A 38 -6.760 -15.605 -2.085 1.00 3.15 H new ATOM 0 HB1 ALA A 38 -6.168 -17.222 -0.298 1.00 3.35 H new ATOM 0 HB2 ALA A 38 -4.815 -16.115 -0.634 1.00 3.35 H new ATOM 0 HB3 ALA A 38 -5.827 -15.871 0.810 1.00 3.35 H new ATOM 599 N ALA A 39 -8.642 -14.410 0.252 1.00 3.41 N ATOM 600 CA ALA A 39 -10.024 -14.464 0.811 1.00 3.83 C ATOM 601 C ALA A 39 -10.696 -13.106 0.596 1.00 3.53 C ATOM 602 O ALA A 39 -10.050 -12.077 0.612 1.00 3.42 O ATOM 603 CB ALA A 39 -9.962 -14.777 2.307 1.00 4.52 C ATOM 0 H ALA A 39 -8.111 -13.572 0.488 1.00 3.41 H new ATOM 0 HA ALA A 39 -10.597 -15.244 0.309 1.00 3.83 H new ATOM 0 HB1 ALA A 39 -10.973 -14.816 2.713 1.00 4.52 H new ATOM 0 HB2 ALA A 39 -9.473 -15.740 2.457 1.00 4.52 H new ATOM 0 HB3 ALA A 39 -9.395 -13.999 2.818 1.00 4.52 H new ATOM 609 N SER A 40 -11.983 -13.089 0.387 1.00 3.76 N ATOM 610 CA SER A 40 -12.676 -11.789 0.163 1.00 3.52 C ATOM 611 C SER A 40 -14.171 -11.936 0.453 1.00 3.96 C ATOM 612 O SER A 40 -15.004 -11.402 -0.251 1.00 4.64 O ATOM 613 CB SER A 40 -12.481 -11.351 -1.289 1.00 2.94 C ATOM 614 OG SER A 40 -12.066 -9.991 -1.322 1.00 3.13 O ATOM 0 H SER A 40 -12.582 -13.914 0.362 1.00 3.76 H new ATOM 0 HA SER A 40 -12.254 -11.040 0.833 1.00 3.52 H new ATOM 0 HB2 SER A 40 -11.736 -11.982 -1.773 1.00 2.94 H new ATOM 0 HB3 SER A 40 -13.411 -11.472 -1.845 1.00 2.94 H new ATOM 0 HG SER A 40 -11.939 -9.710 -2.252 1.00 3.13 H new ATOM 620 N LYS A 41 -14.520 -12.641 1.492 1.00 3.62 N ATOM 621 CA LYS A 41 -15.962 -12.800 1.826 1.00 4.08 C ATOM 622 C LYS A 41 -16.234 -12.097 3.154 1.00 4.03 C ATOM 623 O LYS A 41 -16.802 -11.025 3.194 1.00 4.80 O ATOM 624 CB LYS A 41 -16.313 -14.286 1.948 1.00 3.97 C ATOM 625 CG LYS A 41 -15.107 -15.133 1.547 1.00 3.27 C ATOM 626 CD LYS A 41 -15.526 -16.602 1.450 1.00 2.82 C ATOM 627 CE LYS A 41 -15.144 -17.168 0.079 1.00 2.49 C ATOM 628 NZ LYS A 41 -14.114 -18.231 0.253 1.00 1.64 N ATOM 0 H LYS A 41 -13.872 -13.113 2.123 1.00 3.62 H new ATOM 0 HA LYS A 41 -16.573 -12.361 1.037 1.00 4.08 H new ATOM 0 HB2 LYS A 41 -16.608 -14.517 2.971 1.00 3.97 H new ATOM 0 HB3 LYS A 41 -17.164 -14.522 1.310 1.00 3.97 H new ATOM 0 HG2 LYS A 41 -14.712 -14.792 0.590 1.00 3.27 H new ATOM 0 HG3 LYS A 41 -14.309 -15.019 2.280 1.00 3.27 H new ATOM 0 HD2 LYS A 41 -15.042 -17.179 2.238 1.00 2.82 H new ATOM 0 HD3 LYS A 41 -16.601 -16.693 1.603 1.00 2.82 H new ATOM 0 HE2 LYS A 41 -16.025 -17.577 -0.416 1.00 2.49 H new ATOM 0 HE3 LYS A 41 -14.759 -16.374 -0.560 1.00 2.49 H new ATOM 0 HZ1 LYS A 41 -13.853 -18.617 -0.677 1.00 1.64 H new ATOM 0 HZ2 LYS A 41 -13.271 -17.827 0.709 1.00 1.64 H new ATOM 0 HZ3 LYS A 41 -14.498 -18.992 0.848 1.00 1.64 H new ATOM 642 N ASP A 42 -15.817 -12.684 4.241 1.00 3.50 N ATOM 643 CA ASP A 42 -16.040 -12.037 5.563 1.00 3.75 C ATOM 644 C ASP A 42 -15.261 -10.715 5.627 1.00 3.31 C ATOM 645 O ASP A 42 -15.580 -9.835 6.400 1.00 3.37 O ATOM 646 CB ASP A 42 -15.560 -12.969 6.676 1.00 3.67 C ATOM 647 CG ASP A 42 -16.287 -12.623 7.975 1.00 5.09 C ATOM 648 OD1 ASP A 42 -16.375 -11.446 8.283 1.00 6.01 O ATOM 649 OD2 ASP A 42 -16.743 -13.538 8.639 1.00 5.53 O ATOM 0 H ASP A 42 -15.333 -13.581 4.271 1.00 3.50 H new ATOM 0 HA ASP A 42 -17.103 -11.836 5.693 1.00 3.75 H new ATOM 0 HB2 ASP A 42 -15.752 -14.007 6.404 1.00 3.67 H new ATOM 0 HB3 ASP A 42 -14.483 -12.868 6.811 1.00 3.67 H new ATOM 654 N THR A 43 -14.241 -10.567 4.821 1.00 2.95 N ATOM 655 CA THR A 43 -13.454 -9.302 4.841 1.00 2.50 C ATOM 656 C THR A 43 -13.786 -8.477 3.594 1.00 1.89 C ATOM 657 O THR A 43 -13.619 -8.927 2.479 1.00 1.64 O ATOM 658 CB THR A 43 -11.960 -9.632 4.841 1.00 2.47 C ATOM 659 OG1 THR A 43 -11.649 -10.412 3.697 1.00 2.34 O ATOM 660 CG2 THR A 43 -11.605 -10.413 6.106 1.00 2.78 C ATOM 0 H THR A 43 -13.921 -11.267 4.152 1.00 2.95 H new ATOM 0 HA THR A 43 -13.704 -8.733 5.736 1.00 2.50 H new ATOM 0 HB THR A 43 -11.385 -8.706 4.817 1.00 2.47 H new ATOM 0 HG1 THR A 43 -12.305 -10.233 2.991 1.00 2.34 H new ATOM 0 HG21 THR A 43 -10.540 -10.646 6.103 1.00 2.78 H new ATOM 0 HG22 THR A 43 -11.842 -9.811 6.984 1.00 2.78 H new ATOM 0 HG23 THR A 43 -12.179 -11.339 6.135 1.00 2.78 H new ATOM 668 N THR A 44 -14.247 -7.268 3.769 1.00 1.79 N ATOM 669 CA THR A 44 -14.576 -6.425 2.584 1.00 1.22 C ATOM 670 C THR A 44 -13.298 -5.749 2.095 1.00 0.80 C ATOM 671 O THR A 44 -12.210 -6.164 2.429 1.00 1.20 O ATOM 672 CB THR A 44 -15.606 -5.362 2.979 1.00 1.40 C ATOM 673 OG1 THR A 44 -16.363 -5.825 4.089 1.00 1.93 O ATOM 674 CG2 THR A 44 -16.540 -5.090 1.800 1.00 1.56 C ATOM 0 H THR A 44 -14.409 -6.830 4.676 1.00 1.79 H new ATOM 0 HA THR A 44 -14.994 -7.044 1.790 1.00 1.22 H new ATOM 0 HB THR A 44 -15.090 -4.441 3.250 1.00 1.40 H new ATOM 0 HG1 THR A 44 -17.021 -5.144 4.343 1.00 1.93 H new ATOM 0 HG21 THR A 44 -17.272 -4.334 2.083 1.00 1.56 H new ATOM 0 HG22 THR A 44 -15.959 -4.732 0.950 1.00 1.56 H new ATOM 0 HG23 THR A 44 -17.056 -6.010 1.525 1.00 1.56 H new ATOM 682 N GLU A 45 -13.406 -4.712 1.311 1.00 0.32 N ATOM 683 CA GLU A 45 -12.175 -4.031 0.827 1.00 0.48 C ATOM 684 C GLU A 45 -11.460 -3.401 2.023 1.00 0.47 C ATOM 685 O GLU A 45 -10.250 -3.329 2.073 1.00 0.64 O ATOM 686 CB GLU A 45 -12.550 -2.941 -0.182 1.00 0.77 C ATOM 687 CG GLU A 45 -12.975 -1.671 0.561 1.00 1.03 C ATOM 688 CD GLU A 45 -13.605 -0.694 -0.433 1.00 1.39 C ATOM 689 OE1 GLU A 45 -13.797 -1.081 -1.574 1.00 2.29 O ATOM 690 OE2 GLU A 45 -13.884 0.427 -0.037 1.00 1.47 O ATOM 0 H GLU A 45 -14.286 -4.310 0.987 1.00 0.32 H new ATOM 0 HA GLU A 45 -11.519 -4.753 0.340 1.00 0.48 H new ATOM 0 HB2 GLU A 45 -11.702 -2.727 -0.832 1.00 0.77 H new ATOM 0 HB3 GLU A 45 -13.362 -3.288 -0.822 1.00 0.77 H new ATOM 0 HG2 GLU A 45 -13.687 -1.917 1.348 1.00 1.03 H new ATOM 0 HG3 GLU A 45 -12.112 -1.212 1.044 1.00 1.03 H new ATOM 697 N LYS A 46 -12.214 -2.945 2.986 1.00 0.50 N ATOM 698 CA LYS A 46 -11.615 -2.309 4.192 1.00 0.69 C ATOM 699 C LYS A 46 -10.726 -3.310 4.941 1.00 0.56 C ATOM 700 O LYS A 46 -9.573 -3.043 5.222 1.00 0.81 O ATOM 701 CB LYS A 46 -12.747 -1.848 5.108 1.00 0.88 C ATOM 702 CG LYS A 46 -13.119 -0.399 4.784 1.00 3.20 C ATOM 703 CD LYS A 46 -14.550 -0.127 5.256 1.00 3.48 C ATOM 704 CE LYS A 46 -14.531 0.290 6.728 1.00 3.73 C ATOM 705 NZ LYS A 46 -15.289 1.560 6.899 1.00 5.02 N ATOM 0 H LYS A 46 -13.233 -2.987 2.987 1.00 0.50 H new ATOM 0 HA LYS A 46 -11.000 -1.461 3.889 1.00 0.69 H new ATOM 0 HB2 LYS A 46 -13.616 -2.493 4.980 1.00 0.88 H new ATOM 0 HB3 LYS A 46 -12.440 -1.930 6.151 1.00 0.88 H new ATOM 0 HG2 LYS A 46 -12.426 0.285 5.274 1.00 3.20 H new ATOM 0 HG3 LYS A 46 -13.037 -0.221 3.712 1.00 3.20 H new ATOM 0 HD2 LYS A 46 -15.001 0.659 4.650 1.00 3.48 H new ATOM 0 HD3 LYS A 46 -15.162 -1.019 5.128 1.00 3.48 H new ATOM 0 HE2 LYS A 46 -14.972 -0.494 7.344 1.00 3.73 H new ATOM 0 HE3 LYS A 46 -13.503 0.420 7.066 1.00 3.73 H new ATOM 0 HZ1 LYS A 46 -15.274 1.841 7.900 1.00 5.02 H new ATOM 0 HZ2 LYS A 46 -14.850 2.307 6.323 1.00 5.02 H new ATOM 0 HZ3 LYS A 46 -16.273 1.421 6.593 1.00 5.02 H new ATOM 719 N GLU A 47 -11.252 -4.456 5.278 1.00 0.54 N ATOM 720 CA GLU A 47 -10.430 -5.459 6.013 1.00 0.71 C ATOM 721 C GLU A 47 -9.216 -5.841 5.163 1.00 0.51 C ATOM 722 O GLU A 47 -8.105 -5.933 5.646 1.00 0.50 O ATOM 723 CB GLU A 47 -11.273 -6.703 6.289 1.00 1.05 C ATOM 724 CG GLU A 47 -11.916 -6.575 7.669 1.00 1.62 C ATOM 725 CD GLU A 47 -12.720 -5.276 7.734 1.00 3.47 C ATOM 726 OE1 GLU A 47 -13.859 -5.287 7.300 1.00 3.89 O ATOM 727 OE2 GLU A 47 -12.180 -4.293 8.214 1.00 4.75 O ATOM 0 H GLU A 47 -12.211 -4.740 5.077 1.00 0.54 H new ATOM 0 HA GLU A 47 -10.092 -5.033 6.958 1.00 0.71 H new ATOM 0 HB2 GLU A 47 -12.042 -6.813 5.525 1.00 1.05 H new ATOM 0 HB3 GLU A 47 -10.650 -7.597 6.246 1.00 1.05 H new ATOM 0 HG2 GLU A 47 -12.566 -7.429 7.860 1.00 1.62 H new ATOM 0 HG3 GLU A 47 -11.148 -6.580 8.442 1.00 1.62 H new ATOM 734 N THR A 48 -9.421 -6.058 3.898 1.00 0.52 N ATOM 735 CA THR A 48 -8.284 -6.426 3.012 1.00 0.68 C ATOM 736 C THR A 48 -7.203 -5.348 3.109 1.00 0.64 C ATOM 737 O THR A 48 -6.028 -5.618 2.961 1.00 0.91 O ATOM 738 CB THR A 48 -8.792 -6.540 1.568 1.00 0.79 C ATOM 739 OG1 THR A 48 -8.481 -7.829 1.059 1.00 0.99 O ATOM 740 CG2 THR A 48 -8.135 -5.472 0.688 1.00 1.18 C ATOM 0 H THR A 48 -10.329 -5.997 3.437 1.00 0.52 H new ATOM 0 HA THR A 48 -7.861 -7.382 3.319 1.00 0.68 H new ATOM 0 HB THR A 48 -9.872 -6.390 1.559 1.00 0.79 H new ATOM 0 HG1 THR A 48 -8.806 -7.904 0.138 1.00 0.99 H new ATOM 0 HG21 THR A 48 -8.504 -5.564 -0.333 1.00 1.18 H new ATOM 0 HG22 THR A 48 -8.379 -4.482 1.074 1.00 1.18 H new ATOM 0 HG23 THR A 48 -7.054 -5.608 0.696 1.00 1.18 H new ATOM 748 N PHE A 49 -7.591 -4.124 3.351 1.00 0.42 N ATOM 749 CA PHE A 49 -6.583 -3.030 3.450 1.00 0.61 C ATOM 750 C PHE A 49 -5.805 -3.160 4.760 1.00 0.58 C ATOM 751 O PHE A 49 -4.631 -2.868 4.811 1.00 0.74 O ATOM 752 CB PHE A 49 -7.278 -1.666 3.396 1.00 0.68 C ATOM 753 CG PHE A 49 -7.753 -1.386 1.988 1.00 0.81 C ATOM 754 CD1 PHE A 49 -6.902 -1.610 0.895 1.00 1.68 C ATOM 755 CD2 PHE A 49 -9.048 -0.900 1.773 1.00 0.14 C ATOM 756 CE1 PHE A 49 -7.350 -1.350 -0.405 1.00 1.81 C ATOM 757 CE2 PHE A 49 -9.495 -0.642 0.472 1.00 0.24 C ATOM 758 CZ PHE A 49 -8.647 -0.868 -0.616 1.00 1.08 C ATOM 0 H PHE A 49 -8.560 -3.836 3.484 1.00 0.42 H new ATOM 0 HA PHE A 49 -5.892 -3.110 2.610 1.00 0.61 H new ATOM 0 HB2 PHE A 49 -8.123 -1.651 4.084 1.00 0.68 H new ATOM 0 HB3 PHE A 49 -6.590 -0.885 3.719 1.00 0.68 H new ATOM 0 HD1 PHE A 49 -5.901 -1.983 1.057 1.00 1.68 H new ATOM 0 HD2 PHE A 49 -9.704 -0.724 2.613 1.00 0.14 H new ATOM 0 HE1 PHE A 49 -6.695 -1.521 -1.246 1.00 1.81 H new ATOM 0 HE2 PHE A 49 -10.495 -0.268 0.309 1.00 0.24 H new ATOM 0 HZ PHE A 49 -8.993 -0.671 -1.620 1.00 1.08 H new ATOM 768 N CYS A 50 -6.434 -3.598 5.822 1.00 0.40 N ATOM 769 CA CYS A 50 -5.685 -3.741 7.107 1.00 0.39 C ATOM 770 C CYS A 50 -4.593 -4.800 6.919 1.00 0.42 C ATOM 771 O CYS A 50 -3.523 -4.712 7.494 1.00 0.52 O ATOM 772 CB CYS A 50 -6.641 -4.146 8.244 1.00 0.31 C ATOM 773 SG CYS A 50 -6.865 -5.947 8.280 1.00 1.57 S ATOM 0 H CYS A 50 -7.419 -3.859 5.856 1.00 0.40 H new ATOM 0 HA CYS A 50 -5.230 -2.788 7.378 1.00 0.39 H new ATOM 0 HB2 CYS A 50 -6.243 -3.804 9.200 1.00 0.31 H new ATOM 0 HB3 CYS A 50 -7.605 -3.657 8.107 1.00 0.31 H new ATOM 778 N ARG A 51 -4.841 -5.788 6.097 1.00 0.38 N ATOM 779 CA ARG A 51 -3.801 -6.827 5.860 1.00 0.41 C ATOM 780 C ARG A 51 -2.671 -6.182 5.060 1.00 0.40 C ATOM 781 O ARG A 51 -1.502 -6.325 5.371 1.00 0.57 O ATOM 782 CB ARG A 51 -4.402 -7.992 5.067 1.00 0.39 C ATOM 783 CG ARG A 51 -5.474 -8.690 5.906 1.00 0.62 C ATOM 784 CD ARG A 51 -5.923 -9.967 5.193 1.00 0.65 C ATOM 785 NE ARG A 51 -6.155 -11.046 6.197 1.00 0.73 N ATOM 786 CZ ARG A 51 -6.809 -12.141 5.878 1.00 0.90 C ATOM 787 NH1 ARG A 51 -7.274 -12.326 4.665 1.00 0.93 N ATOM 788 NH2 ARG A 51 -6.999 -13.063 6.783 1.00 1.57 N ATOM 0 H ARG A 51 -5.713 -5.918 5.584 1.00 0.38 H new ATOM 0 HA ARG A 51 -3.424 -7.213 6.807 1.00 0.41 H new ATOM 0 HB2 ARG A 51 -4.836 -7.625 4.137 1.00 0.39 H new ATOM 0 HB3 ARG A 51 -3.620 -8.701 4.796 1.00 0.39 H new ATOM 0 HG2 ARG A 51 -5.080 -8.931 6.893 1.00 0.62 H new ATOM 0 HG3 ARG A 51 -6.325 -8.025 6.056 1.00 0.62 H new ATOM 0 HD2 ARG A 51 -6.837 -9.779 4.629 1.00 0.65 H new ATOM 0 HD3 ARG A 51 -5.165 -10.281 4.476 1.00 0.65 H new ATOM 0 HE ARG A 51 -5.800 -10.932 7.147 1.00 0.73 H new ATOM 0 HH11 ARG A 51 -7.131 -11.613 3.950 1.00 0.93 H new ATOM 0 HH12 ARG A 51 -7.779 -13.183 4.437 1.00 0.93 H new ATOM 0 HH21 ARG A 51 -6.641 -12.931 7.729 1.00 1.57 H new ATOM 0 HH22 ARG A 51 -7.505 -13.916 6.544 1.00 1.57 H new ATOM 802 N ALA A 52 -3.022 -5.442 4.044 1.00 0.20 N ATOM 803 CA ALA A 52 -1.988 -4.749 3.230 1.00 0.15 C ATOM 804 C ALA A 52 -1.381 -3.598 4.046 1.00 0.17 C ATOM 805 O ALA A 52 -0.388 -3.019 3.659 1.00 0.11 O ATOM 806 CB ALA A 52 -2.633 -4.186 1.961 1.00 0.09 C ATOM 0 H ALA A 52 -3.984 -5.288 3.743 1.00 0.20 H new ATOM 0 HA ALA A 52 -1.204 -5.456 2.959 1.00 0.15 H new ATOM 0 HB1 ALA A 52 -1.877 -3.678 1.363 1.00 0.09 H new ATOM 0 HB2 ALA A 52 -3.067 -5.001 1.381 1.00 0.09 H new ATOM 0 HB3 ALA A 52 -3.416 -3.478 2.234 1.00 0.09 H new ATOM 812 N ALA A 53 -1.960 -3.267 5.177 1.00 0.42 N ATOM 813 CA ALA A 53 -1.403 -2.168 6.010 1.00 0.49 C ATOM 814 C ALA A 53 -0.237 -2.727 6.815 1.00 0.52 C ATOM 815 O ALA A 53 0.757 -2.065 7.031 1.00 0.53 O ATOM 816 CB ALA A 53 -2.478 -1.656 6.968 1.00 0.63 C ATOM 0 H ALA A 53 -2.795 -3.715 5.554 1.00 0.42 H new ATOM 0 HA ALA A 53 -1.070 -1.346 5.376 1.00 0.49 H new ATOM 0 HB1 ALA A 53 -2.068 -0.851 7.578 1.00 0.63 H new ATOM 0 HB2 ALA A 53 -3.327 -1.282 6.396 1.00 0.63 H new ATOM 0 HB3 ALA A 53 -2.806 -2.470 7.615 1.00 0.63 H new ATOM 822 N THR A 54 -0.353 -3.952 7.249 1.00 0.56 N ATOM 823 CA THR A 54 0.756 -4.570 8.023 1.00 0.65 C ATOM 824 C THR A 54 1.929 -4.803 7.071 1.00 0.61 C ATOM 825 O THR A 54 3.063 -4.461 7.361 1.00 0.66 O ATOM 826 CB THR A 54 0.290 -5.905 8.608 1.00 0.70 C ATOM 827 OG1 THR A 54 -0.368 -5.675 9.846 1.00 0.77 O ATOM 828 CG2 THR A 54 1.499 -6.813 8.832 1.00 0.82 C ATOM 0 H THR A 54 -1.167 -4.549 7.101 1.00 0.56 H new ATOM 0 HA THR A 54 1.060 -3.916 8.840 1.00 0.65 H new ATOM 0 HB THR A 54 -0.400 -6.385 7.914 1.00 0.70 H new ATOM 0 HG1 THR A 54 -0.668 -6.529 10.221 1.00 0.77 H new ATOM 0 HG21 THR A 54 1.167 -7.764 9.249 1.00 0.82 H new ATOM 0 HG22 THR A 54 2.003 -6.989 7.882 1.00 0.82 H new ATOM 0 HG23 THR A 54 2.190 -6.334 9.526 1.00 0.82 H new ATOM 836 N VAL A 55 1.661 -5.367 5.923 1.00 0.55 N ATOM 837 CA VAL A 55 2.757 -5.602 4.944 1.00 0.54 C ATOM 838 C VAL A 55 3.371 -4.252 4.563 1.00 0.50 C ATOM 839 O VAL A 55 4.567 -4.132 4.385 1.00 0.48 O ATOM 840 CB VAL A 55 2.197 -6.291 3.696 1.00 0.48 C ATOM 841 CG1 VAL A 55 3.332 -6.552 2.705 1.00 0.54 C ATOM 842 CG2 VAL A 55 1.555 -7.623 4.093 1.00 0.51 C ATOM 0 H VAL A 55 0.735 -5.673 5.624 1.00 0.55 H new ATOM 0 HA VAL A 55 3.520 -6.244 5.385 1.00 0.54 H new ATOM 0 HB VAL A 55 1.448 -5.648 3.233 1.00 0.48 H new ATOM 0 HG11 VAL A 55 2.934 -7.042 1.817 1.00 0.54 H new ATOM 0 HG12 VAL A 55 3.792 -5.606 2.421 1.00 0.54 H new ATOM 0 HG13 VAL A 55 4.080 -7.194 3.170 1.00 0.54 H new ATOM 0 HG21 VAL A 55 1.156 -8.114 3.205 1.00 0.51 H new ATOM 0 HG22 VAL A 55 2.305 -8.264 4.556 1.00 0.51 H new ATOM 0 HG23 VAL A 55 0.746 -7.441 4.801 1.00 0.51 H new ATOM 852 N LEU A 56 2.561 -3.230 4.453 1.00 0.50 N ATOM 853 CA LEU A 56 3.104 -1.885 4.102 1.00 0.46 C ATOM 854 C LEU A 56 3.998 -1.405 5.246 1.00 0.57 C ATOM 855 O LEU A 56 4.969 -0.703 5.037 1.00 0.60 O ATOM 856 CB LEU A 56 1.959 -0.889 3.900 1.00 0.37 C ATOM 857 CG LEU A 56 1.955 -0.402 2.450 1.00 0.21 C ATOM 858 CD1 LEU A 56 1.197 -1.403 1.577 1.00 0.47 C ATOM 859 CD2 LEU A 56 1.266 0.962 2.372 1.00 0.29 C ATOM 0 H LEU A 56 1.551 -3.269 4.591 1.00 0.50 H new ATOM 0 HA LEU A 56 3.677 -1.954 3.177 1.00 0.46 H new ATOM 0 HB2 LEU A 56 1.006 -1.361 4.139 1.00 0.37 H new ATOM 0 HB3 LEU A 56 2.075 -0.044 4.578 1.00 0.37 H new ATOM 0 HG LEU A 56 2.982 -0.313 2.095 1.00 0.21 H new ATOM 0 HD11 LEU A 56 1.194 -1.056 0.544 1.00 0.47 H new ATOM 0 HD12 LEU A 56 1.685 -2.376 1.631 1.00 0.47 H new ATOM 0 HD13 LEU A 56 0.170 -1.492 1.933 1.00 0.47 H new ATOM 0 HD21 LEU A 56 1.263 1.310 1.339 1.00 0.29 H new ATOM 0 HD22 LEU A 56 0.240 0.872 2.728 1.00 0.29 H new ATOM 0 HD23 LEU A 56 1.804 1.677 2.994 1.00 0.29 H new ATOM 871 N ARG A 57 3.686 -1.794 6.454 1.00 0.64 N ATOM 872 CA ARG A 57 4.531 -1.379 7.605 1.00 0.76 C ATOM 873 C ARG A 57 5.948 -1.873 7.336 1.00 0.81 C ATOM 874 O ARG A 57 6.910 -1.145 7.471 1.00 0.84 O ATOM 875 CB ARG A 57 3.995 -2.009 8.894 1.00 0.98 C ATOM 876 CG ARG A 57 4.771 -1.462 10.096 1.00 1.26 C ATOM 877 CD ARG A 57 3.854 -0.594 10.966 1.00 0.69 C ATOM 878 NE ARG A 57 4.083 -0.912 12.415 1.00 1.07 N ATOM 879 CZ ARG A 57 4.005 -2.138 12.881 1.00 2.08 C ATOM 880 NH1 ARG A 57 3.529 -3.116 12.150 1.00 2.82 N ATOM 881 NH2 ARG A 57 4.351 -2.374 14.117 1.00 2.84 N ATOM 0 H ARG A 57 2.885 -2.379 6.690 1.00 0.64 H new ATOM 0 HA ARG A 57 4.519 -0.295 7.721 1.00 0.76 H new ATOM 0 HB2 ARG A 57 2.933 -1.789 9.004 1.00 0.98 H new ATOM 0 HB3 ARG A 57 4.093 -3.094 8.848 1.00 0.98 H new ATOM 0 HG2 ARG A 57 5.171 -2.287 10.686 1.00 1.26 H new ATOM 0 HG3 ARG A 57 5.622 -0.874 9.752 1.00 1.26 H new ATOM 0 HD2 ARG A 57 4.052 0.462 10.780 1.00 0.69 H new ATOM 0 HD3 ARG A 57 2.811 -0.774 10.704 1.00 0.69 H new ATOM 0 HE ARG A 57 4.306 -0.152 13.058 1.00 1.07 H new ATOM 0 HH11 ARG A 57 3.210 -2.933 11.199 1.00 2.82 H new ATOM 0 HH12 ARG A 57 3.478 -4.060 12.532 1.00 2.82 H new ATOM 0 HH21 ARG A 57 4.678 -1.611 14.710 1.00 2.84 H new ATOM 0 HH22 ARG A 57 4.295 -3.322 14.490 1.00 2.84 H new ATOM 895 N GLN A 58 6.076 -3.108 6.930 1.00 0.86 N ATOM 896 CA GLN A 58 7.426 -3.654 6.618 1.00 0.99 C ATOM 897 C GLN A 58 8.006 -2.884 5.426 1.00 0.86 C ATOM 898 O GLN A 58 9.203 -2.738 5.289 1.00 0.95 O ATOM 899 CB GLN A 58 7.309 -5.136 6.262 1.00 1.14 C ATOM 900 CG GLN A 58 6.783 -5.909 7.473 1.00 1.17 C ATOM 901 CD GLN A 58 7.933 -6.671 8.131 1.00 0.50 C ATOM 902 OE1 GLN A 58 8.710 -7.321 7.460 1.00 1.44 O ATOM 903 NE2 GLN A 58 8.074 -6.620 9.426 1.00 0.80 N ATOM 0 H GLN A 58 5.303 -3.761 6.801 1.00 0.86 H new ATOM 0 HA GLN A 58 8.079 -3.545 7.484 1.00 0.99 H new ATOM 0 HB2 GLN A 58 6.637 -5.266 5.414 1.00 1.14 H new ATOM 0 HB3 GLN A 58 8.281 -5.527 5.961 1.00 1.14 H new ATOM 0 HG2 GLN A 58 6.332 -5.222 8.189 1.00 1.17 H new ATOM 0 HG3 GLN A 58 6.003 -6.604 7.163 1.00 1.17 H new ATOM 0 HE21 GLN A 58 7.422 -6.074 9.989 1.00 0.80 H new ATOM 0 HE22 GLN A 58 8.837 -7.126 9.876 1.00 0.80 H new ATOM 912 N PHE A 59 7.159 -2.388 4.563 1.00 0.67 N ATOM 913 CA PHE A 59 7.646 -1.619 3.380 1.00 0.63 C ATOM 914 C PHE A 59 8.531 -0.456 3.843 1.00 0.53 C ATOM 915 O PHE A 59 9.704 -0.402 3.538 1.00 0.60 O ATOM 916 CB PHE A 59 6.439 -1.057 2.619 1.00 0.53 C ATOM 917 CG PHE A 59 6.780 -0.859 1.157 1.00 0.69 C ATOM 918 CD1 PHE A 59 7.855 -0.038 0.789 1.00 0.75 C ATOM 919 CD2 PHE A 59 6.014 -1.489 0.168 1.00 1.70 C ATOM 920 CE1 PHE A 59 8.163 0.149 -0.563 1.00 0.88 C ATOM 921 CE2 PHE A 59 6.322 -1.299 -1.185 1.00 1.92 C ATOM 922 CZ PHE A 59 7.398 -0.481 -1.549 1.00 1.22 C ATOM 0 H PHE A 59 6.145 -2.483 4.627 1.00 0.67 H new ATOM 0 HA PHE A 59 8.225 -2.278 2.733 1.00 0.63 H new ATOM 0 HB2 PHE A 59 5.593 -1.738 2.712 1.00 0.53 H new ATOM 0 HB3 PHE A 59 6.134 -0.108 3.059 1.00 0.53 H new ATOM 0 HD1 PHE A 59 8.446 0.451 1.550 1.00 0.75 H new ATOM 0 HD2 PHE A 59 5.185 -2.122 0.449 1.00 1.70 H new ATOM 0 HE1 PHE A 59 8.992 0.781 -0.845 1.00 0.88 H new ATOM 0 HE2 PHE A 59 5.730 -1.783 -1.947 1.00 1.92 H new ATOM 0 HZ PHE A 59 7.637 -0.336 -2.592 1.00 1.22 H new ATOM 932 N TYR A 60 7.969 0.488 4.555 1.00 0.52 N ATOM 933 CA TYR A 60 8.773 1.666 5.013 1.00 0.60 C ATOM 934 C TYR A 60 9.523 1.357 6.320 1.00 0.73 C ATOM 935 O TYR A 60 10.250 2.189 6.830 1.00 0.74 O ATOM 936 CB TYR A 60 7.834 2.859 5.229 1.00 0.65 C ATOM 937 CG TYR A 60 7.713 3.168 6.705 1.00 0.74 C ATOM 938 CD1 TYR A 60 6.873 2.396 7.515 1.00 0.72 C ATOM 939 CD2 TYR A 60 8.446 4.225 7.263 1.00 0.89 C ATOM 940 CE1 TYR A 60 6.764 2.679 8.882 1.00 0.86 C ATOM 941 CE2 TYR A 60 8.337 4.506 8.631 1.00 1.03 C ATOM 942 CZ TYR A 60 7.495 3.733 9.441 1.00 1.02 C ATOM 943 OH TYR A 60 7.388 4.010 10.789 1.00 1.17 O ATOM 0 H TYR A 60 6.990 0.496 4.840 1.00 0.52 H new ATOM 0 HA TYR A 60 9.513 1.900 4.247 1.00 0.60 H new ATOM 0 HB2 TYR A 60 8.214 3.731 4.697 1.00 0.65 H new ATOM 0 HB3 TYR A 60 6.851 2.637 4.815 1.00 0.65 H new ATOM 0 HD1 TYR A 60 6.308 1.582 7.086 1.00 0.72 H new ATOM 0 HD2 TYR A 60 9.094 4.822 6.639 1.00 0.89 H new ATOM 0 HE1 TYR A 60 6.115 2.083 9.506 1.00 0.86 H new ATOM 0 HE2 TYR A 60 8.902 5.319 9.062 1.00 1.03 H new ATOM 0 HH TYR A 60 7.963 4.772 11.013 1.00 1.17 H new ATOM 953 N SER A 61 9.367 0.183 6.872 1.00 0.93 N ATOM 954 CA SER A 61 10.085 -0.132 8.142 1.00 1.12 C ATOM 955 C SER A 61 11.497 -0.639 7.833 1.00 1.12 C ATOM 956 O SER A 61 12.475 -0.115 8.327 1.00 1.09 O ATOM 957 CB SER A 61 9.312 -1.205 8.909 1.00 1.41 C ATOM 958 OG SER A 61 10.136 -1.735 9.939 1.00 2.27 O ATOM 0 H SER A 61 8.780 -0.565 6.503 1.00 0.93 H new ATOM 0 HA SER A 61 10.156 0.771 8.748 1.00 1.12 H new ATOM 0 HB2 SER A 61 8.405 -0.779 9.337 1.00 1.41 H new ATOM 0 HB3 SER A 61 9.002 -2.000 8.231 1.00 1.41 H new ATOM 0 HG SER A 61 9.641 -2.422 10.433 1.00 2.27 H new ATOM 964 N HIS A 62 11.609 -1.660 7.031 1.00 1.16 N ATOM 965 CA HIS A 62 12.956 -2.205 6.701 1.00 1.20 C ATOM 966 C HIS A 62 13.643 -1.324 5.652 1.00 0.83 C ATOM 967 O HIS A 62 14.854 -1.264 5.583 1.00 0.96 O ATOM 968 CB HIS A 62 12.808 -3.625 6.152 1.00 1.62 C ATOM 969 CG HIS A 62 14.081 -4.391 6.388 1.00 2.78 C ATOM 970 ND1 HIS A 62 15.084 -4.470 5.434 1.00 4.07 N ATOM 971 CD2 HIS A 62 14.527 -5.122 7.462 1.00 3.07 C ATOM 972 CE1 HIS A 62 16.073 -5.226 5.946 1.00 4.94 C ATOM 973 NE2 HIS A 62 15.784 -5.648 7.179 1.00 4.37 N ATOM 0 H HIS A 62 10.826 -2.141 6.589 1.00 1.16 H new ATOM 0 HA HIS A 62 13.564 -2.219 7.606 1.00 1.20 H new ATOM 0 HB2 HIS A 62 11.973 -4.129 6.638 1.00 1.62 H new ATOM 0 HB3 HIS A 62 12.583 -3.592 5.086 1.00 1.62 H new ATOM 0 HD2 HIS A 62 13.985 -5.266 8.385 1.00 3.07 H new ATOM 0 HE1 HIS A 62 16.988 -5.462 5.423 1.00 4.94 H new ATOM 0 HE2 HIS A 62 16.361 -6.231 7.785 1.00 4.37 H new ATOM 981 N HIS A 63 12.888 -0.648 4.828 1.00 0.72 N ATOM 982 CA HIS A 63 13.516 0.215 3.783 1.00 0.99 C ATOM 983 C HIS A 63 14.103 1.470 4.428 1.00 1.25 C ATOM 984 O HIS A 63 15.291 1.717 4.364 1.00 2.34 O ATOM 985 CB HIS A 63 12.459 0.635 2.758 1.00 1.78 C ATOM 986 CG HIS A 63 12.285 -0.452 1.735 1.00 1.98 C ATOM 987 ND1 HIS A 63 12.620 -0.271 0.401 1.00 3.13 N ATOM 988 CD2 HIS A 63 11.808 -1.735 1.832 1.00 1.51 C ATOM 989 CE1 HIS A 63 12.341 -1.419 -0.245 1.00 3.33 C ATOM 990 NE2 HIS A 63 11.844 -2.344 0.580 1.00 2.35 N ATOM 0 H HIS A 63 11.868 -0.655 4.832 1.00 0.72 H new ATOM 0 HA HIS A 63 14.308 -0.349 3.290 1.00 0.99 H new ATOM 0 HB2 HIS A 63 11.511 0.831 3.259 1.00 1.78 H new ATOM 0 HB3 HIS A 63 12.760 1.562 2.270 1.00 1.78 H new ATOM 0 HD1 HIS A 63 13.007 0.576 -0.014 1.00 3.13 H new ATOM 0 HD2 HIS A 63 11.458 -2.202 2.741 1.00 1.51 H new ATOM 0 HE1 HIS A 63 12.500 -1.573 -1.302 1.00 3.33 H new ATOM 998 N GLU A 64 13.276 2.271 5.036 1.00 0.76 N ATOM 999 CA GLU A 64 13.771 3.522 5.673 1.00 1.27 C ATOM 1000 C GLU A 64 14.878 3.202 6.683 1.00 1.82 C ATOM 1001 O GLU A 64 15.703 4.039 6.992 1.00 2.63 O ATOM 1002 CB GLU A 64 12.612 4.212 6.387 1.00 0.89 C ATOM 1003 CG GLU A 64 12.992 5.661 6.684 1.00 0.99 C ATOM 1004 CD GLU A 64 12.103 6.200 7.806 1.00 1.09 C ATOM 1005 OE1 GLU A 64 10.994 5.709 7.944 1.00 1.33 O ATOM 1006 OE2 GLU A 64 12.546 7.093 8.509 1.00 2.02 O ATOM 0 H GLU A 64 12.272 2.112 5.120 1.00 0.76 H new ATOM 0 HA GLU A 64 14.177 4.179 4.904 1.00 1.27 H new ATOM 0 HB2 GLU A 64 11.716 4.179 5.767 1.00 0.89 H new ATOM 0 HB3 GLU A 64 12.377 3.688 7.314 1.00 0.89 H new ATOM 0 HG2 GLU A 64 14.041 5.721 6.975 1.00 0.99 H new ATOM 0 HG3 GLU A 64 12.875 6.270 5.788 1.00 0.99 H new ATOM 1013 N LYS A 65 14.907 2.006 7.207 1.00 1.81 N ATOM 1014 CA LYS A 65 15.964 1.656 8.197 1.00 2.82 C ATOM 1015 C LYS A 65 17.038 0.795 7.524 1.00 2.43 C ATOM 1016 O LYS A 65 17.529 -0.160 8.091 1.00 2.84 O ATOM 1017 CB LYS A 65 15.337 0.886 9.361 1.00 3.51 C ATOM 1018 CG LYS A 65 15.762 1.525 10.685 1.00 4.49 C ATOM 1019 CD LYS A 65 17.272 1.364 10.875 1.00 4.17 C ATOM 1020 CE LYS A 65 17.569 1.035 12.340 1.00 5.55 C ATOM 1021 NZ LYS A 65 18.932 1.519 12.694 1.00 5.42 N ATOM 0 H LYS A 65 14.246 1.259 6.993 1.00 1.81 H new ATOM 0 HA LYS A 65 16.424 2.569 8.574 1.00 2.82 H new ATOM 0 HB2 LYS A 65 14.251 0.895 9.273 1.00 3.51 H new ATOM 0 HB3 LYS A 65 15.651 -0.157 9.331 1.00 3.51 H new ATOM 0 HG2 LYS A 65 15.496 2.582 10.692 1.00 4.49 H new ATOM 0 HG3 LYS A 65 15.230 1.057 11.513 1.00 4.49 H new ATOM 0 HD2 LYS A 65 17.648 0.570 10.229 1.00 4.17 H new ATOM 0 HD3 LYS A 65 17.786 2.281 10.586 1.00 4.17 H new ATOM 0 HE2 LYS A 65 16.827 1.503 12.986 1.00 5.55 H new ATOM 0 HE3 LYS A 65 17.500 -0.041 12.503 1.00 5.55 H new ATOM 0 HZ1 LYS A 65 19.132 1.295 13.690 1.00 5.42 H new ATOM 0 HZ2 LYS A 65 19.635 1.052 12.086 1.00 5.42 H new ATOM 0 HZ3 LYS A 65 18.982 2.548 12.554 1.00 5.42 H new ATOM 1035 N ASP A 66 17.411 1.132 6.319 1.00 1.94 N ATOM 1036 CA ASP A 66 18.458 0.340 5.612 1.00 1.69 C ATOM 1037 C ASP A 66 19.035 1.176 4.466 1.00 1.79 C ATOM 1038 O ASP A 66 18.362 2.008 3.891 1.00 2.03 O ATOM 1039 CB ASP A 66 17.849 -0.951 5.059 1.00 1.56 C ATOM 1040 CG ASP A 66 18.942 -2.014 4.942 1.00 1.60 C ATOM 1041 OD1 ASP A 66 19.829 -2.014 5.781 1.00 2.30 O ATOM 1042 OD2 ASP A 66 18.875 -2.807 4.020 1.00 1.51 O ATOM 0 H ASP A 66 17.036 1.922 5.794 1.00 1.94 H new ATOM 0 HA ASP A 66 19.254 0.083 6.311 1.00 1.69 H new ATOM 0 HB2 ASP A 66 17.053 -1.302 5.716 1.00 1.56 H new ATOM 0 HB3 ASP A 66 17.399 -0.766 4.083 1.00 1.56 H new ATOM 1047 N THR A 67 20.281 0.968 4.140 1.00 1.73 N ATOM 1048 CA THR A 67 20.909 1.755 3.042 1.00 2.00 C ATOM 1049 C THR A 67 20.739 1.043 1.692 1.00 1.93 C ATOM 1050 O THR A 67 21.233 1.503 0.682 1.00 2.06 O ATOM 1051 CB THR A 67 22.402 1.928 3.339 1.00 2.40 C ATOM 1052 OG1 THR A 67 22.967 0.665 3.660 1.00 1.68 O ATOM 1053 CG2 THR A 67 22.584 2.884 4.519 1.00 3.70 C ATOM 0 H THR A 67 20.892 0.285 4.588 1.00 1.73 H new ATOM 0 HA THR A 67 20.420 2.727 2.985 1.00 2.00 H new ATOM 0 HB THR A 67 22.902 2.340 2.462 1.00 2.40 H new ATOM 0 HG1 THR A 67 23.923 0.773 3.849 1.00 1.68 H new ATOM 0 HG21 THR A 67 23.647 3.005 4.728 1.00 3.70 H new ATOM 0 HG22 THR A 67 22.150 3.853 4.273 1.00 3.70 H new ATOM 0 HG23 THR A 67 22.085 2.476 5.398 1.00 3.70 H new ATOM 1061 N ARG A 68 20.059 -0.073 1.652 1.00 1.75 N ATOM 1062 CA ARG A 68 19.891 -0.786 0.354 1.00 1.75 C ATOM 1063 C ARG A 68 19.068 0.071 -0.617 1.00 1.65 C ATOM 1064 O ARG A 68 19.456 0.282 -1.749 1.00 1.81 O ATOM 1065 CB ARG A 68 19.179 -2.120 0.591 1.00 1.57 C ATOM 1066 CG ARG A 68 19.479 -3.068 -0.572 1.00 1.29 C ATOM 1067 CD ARG A 68 18.168 -3.462 -1.253 1.00 2.27 C ATOM 1068 NE ARG A 68 18.445 -3.883 -2.656 1.00 3.63 N ATOM 1069 CZ ARG A 68 17.535 -4.510 -3.365 1.00 4.67 C ATOM 1070 NH1 ARG A 68 16.348 -4.770 -2.871 1.00 4.75 N ATOM 1071 NH2 ARG A 68 17.815 -4.877 -4.585 1.00 5.96 N ATOM 0 H ARG A 68 19.616 -0.518 2.456 1.00 1.75 H new ATOM 0 HA ARG A 68 20.874 -0.969 -0.080 1.00 1.75 H new ATOM 0 HB2 ARG A 68 19.513 -2.561 1.530 1.00 1.57 H new ATOM 0 HB3 ARG A 68 18.104 -1.961 0.678 1.00 1.57 H new ATOM 0 HG2 ARG A 68 20.143 -2.585 -1.288 1.00 1.29 H new ATOM 0 HG3 ARG A 68 19.995 -3.957 -0.208 1.00 1.29 H new ATOM 0 HD2 ARG A 68 17.691 -4.275 -0.705 1.00 2.27 H new ATOM 0 HD3 ARG A 68 17.474 -2.621 -1.244 1.00 2.27 H new ATOM 0 HE ARG A 68 19.355 -3.681 -3.071 1.00 3.63 H new ATOM 0 HH11 ARG A 68 16.118 -4.484 -1.919 1.00 4.75 H new ATOM 0 HH12 ARG A 68 15.655 -5.258 -3.438 1.00 4.75 H new ATOM 0 HH21 ARG A 68 18.734 -4.676 -4.980 1.00 5.96 H new ATOM 0 HH22 ARG A 68 17.115 -5.365 -5.144 1.00 5.96 H new ATOM 1085 N CYS A 69 17.931 0.554 -0.193 1.00 1.41 N ATOM 1086 CA CYS A 69 17.084 1.384 -1.106 1.00 1.29 C ATOM 1087 C CYS A 69 17.427 2.874 -0.965 1.00 1.60 C ATOM 1088 O CYS A 69 16.586 3.726 -1.175 1.00 2.25 O ATOM 1089 CB CYS A 69 15.604 1.173 -0.760 1.00 0.72 C ATOM 1090 SG CYS A 69 14.860 0.013 -1.936 1.00 1.20 S ATOM 0 H CYS A 69 17.551 0.412 0.743 1.00 1.41 H new ATOM 0 HA CYS A 69 17.278 1.076 -2.133 1.00 1.29 H new ATOM 0 HB2 CYS A 69 15.510 0.787 0.255 1.00 0.72 H new ATOM 0 HB3 CYS A 69 15.075 2.125 -0.790 1.00 0.72 H new ATOM 1095 N LEU A 70 18.640 3.212 -0.614 1.00 1.33 N ATOM 1096 CA LEU A 70 18.980 4.659 -0.473 1.00 1.61 C ATOM 1097 C LEU A 70 19.471 5.208 -1.818 1.00 2.02 C ATOM 1098 O LEU A 70 18.720 5.807 -2.562 1.00 2.14 O ATOM 1099 CB LEU A 70 20.072 4.840 0.586 1.00 1.58 C ATOM 1100 CG LEU A 70 19.459 5.399 1.875 1.00 1.71 C ATOM 1101 CD1 LEU A 70 20.557 5.574 2.927 1.00 1.83 C ATOM 1102 CD2 LEU A 70 18.814 6.760 1.595 1.00 1.77 C ATOM 0 H LEU A 70 19.400 2.560 -0.421 1.00 1.33 H new ATOM 0 HA LEU A 70 18.089 5.205 -0.163 1.00 1.61 H new ATOM 0 HB2 LEU A 70 20.557 3.885 0.788 1.00 1.58 H new ATOM 0 HB3 LEU A 70 20.842 5.517 0.215 1.00 1.58 H new ATOM 0 HG LEU A 70 18.702 4.705 2.241 1.00 1.71 H new ATOM 0 HD11 LEU A 70 20.122 5.972 3.844 1.00 1.83 H new ATOM 0 HD12 LEU A 70 21.020 4.609 3.133 1.00 1.83 H new ATOM 0 HD13 LEU A 70 21.312 6.266 2.554 1.00 1.83 H new ATOM 0 HD21 LEU A 70 18.380 7.153 2.514 1.00 1.77 H new ATOM 0 HD22 LEU A 70 19.571 7.452 1.226 1.00 1.77 H new ATOM 0 HD23 LEU A 70 18.032 6.644 0.845 1.00 1.77 H new ATOM 1114 N GLY A 71 20.724 5.015 -2.139 1.00 2.37 N ATOM 1115 CA GLY A 71 21.243 5.536 -3.435 1.00 2.87 C ATOM 1116 C GLY A 71 22.756 5.752 -3.337 1.00 2.52 C ATOM 1117 O GLY A 71 23.456 5.010 -2.678 1.00 1.99 O ATOM 0 H GLY A 71 21.406 4.522 -1.562 1.00 2.37 H new ATOM 0 HA2 GLY A 71 21.018 4.833 -4.237 1.00 2.87 H new ATOM 0 HA3 GLY A 71 20.748 6.474 -3.685 1.00 2.87 H new ATOM 1121 N ALA A 72 23.265 6.763 -3.990 1.00 2.83 N ATOM 1122 CA ALA A 72 24.733 7.022 -3.937 1.00 2.52 C ATOM 1123 C ALA A 72 25.000 8.523 -4.072 1.00 2.80 C ATOM 1124 O ALA A 72 25.758 9.097 -3.316 1.00 3.50 O ATOM 1125 CB ALA A 72 25.418 6.280 -5.087 1.00 2.51 C ATOM 0 H ALA A 72 22.728 7.420 -4.557 1.00 2.83 H new ATOM 0 HA ALA A 72 25.128 6.671 -2.984 1.00 2.52 H new ATOM 0 HB1 ALA A 72 26.491 6.467 -5.052 1.00 2.51 H new ATOM 0 HB2 ALA A 72 25.232 5.210 -4.992 1.00 2.51 H new ATOM 0 HB3 ALA A 72 25.019 6.634 -6.037 1.00 2.51 H new ATOM 1131 N THR A 73 24.386 9.163 -5.030 1.00 2.54 N ATOM 1132 CA THR A 73 24.609 10.626 -5.212 1.00 2.76 C ATOM 1133 C THR A 73 23.623 11.409 -4.340 1.00 2.51 C ATOM 1134 O THR A 73 22.934 10.850 -3.510 1.00 2.31 O ATOM 1135 CB THR A 73 24.399 11.000 -6.682 1.00 3.18 C ATOM 1136 OG1 THR A 73 23.007 11.113 -6.948 1.00 3.48 O ATOM 1137 CG2 THR A 73 25.008 9.922 -7.580 1.00 2.59 C ATOM 0 H THR A 73 23.740 8.736 -5.694 1.00 2.54 H new ATOM 0 HA THR A 73 25.629 10.873 -4.918 1.00 2.76 H new ATOM 0 HB THR A 73 24.886 11.954 -6.886 1.00 3.18 H new ATOM 0 HG1 THR A 73 22.872 11.354 -7.888 1.00 3.48 H new ATOM 0 HG21 THR A 73 24.857 10.191 -8.625 1.00 2.59 H new ATOM 0 HG22 THR A 73 26.076 9.840 -7.377 1.00 2.59 H new ATOM 0 HG23 THR A 73 24.526 8.965 -7.378 1.00 2.59 H new ATOM 1145 N ALA A 74 23.554 12.700 -4.523 1.00 2.57 N ATOM 1146 CA ALA A 74 22.616 13.524 -3.705 1.00 2.42 C ATOM 1147 C ALA A 74 21.236 13.574 -4.371 1.00 2.13 C ATOM 1148 O ALA A 74 20.242 13.846 -3.727 1.00 2.07 O ATOM 1149 CB ALA A 74 23.166 14.947 -3.575 1.00 2.71 C ATOM 0 H ALA A 74 24.107 13.221 -5.204 1.00 2.57 H new ATOM 0 HA ALA A 74 22.520 13.073 -2.717 1.00 2.42 H new ATOM 0 HB1 ALA A 74 22.481 15.549 -2.978 1.00 2.71 H new ATOM 0 HB2 ALA A 74 24.141 14.917 -3.089 1.00 2.71 H new ATOM 0 HB3 ALA A 74 23.268 15.390 -4.566 1.00 2.71 H new ATOM 1155 N GLN A 75 21.157 13.316 -5.650 1.00 1.96 N ATOM 1156 CA GLN A 75 19.831 13.355 -6.328 1.00 1.69 C ATOM 1157 C GLN A 75 19.071 12.061 -6.024 1.00 1.44 C ATOM 1158 O GLN A 75 17.868 12.064 -5.836 1.00 1.13 O ATOM 1159 CB GLN A 75 20.034 13.491 -7.839 1.00 1.84 C ATOM 1160 CG GLN A 75 20.025 14.973 -8.222 1.00 2.47 C ATOM 1161 CD GLN A 75 21.055 15.223 -9.325 1.00 2.65 C ATOM 1162 OE1 GLN A 75 22.057 14.540 -9.402 1.00 2.67 O ATOM 1163 NE2 GLN A 75 20.850 16.180 -10.190 1.00 3.32 N ATOM 0 H GLN A 75 21.948 13.082 -6.250 1.00 1.96 H new ATOM 0 HA GLN A 75 19.257 14.208 -5.965 1.00 1.69 H new ATOM 0 HB2 GLN A 75 20.979 13.034 -8.133 1.00 1.84 H new ATOM 0 HB3 GLN A 75 19.244 12.961 -8.372 1.00 1.84 H new ATOM 0 HG2 GLN A 75 19.032 15.265 -8.564 1.00 2.47 H new ATOM 0 HG3 GLN A 75 20.254 15.586 -7.350 1.00 2.47 H new ATOM 0 HE21 GLN A 75 20.009 16.754 -10.126 1.00 3.32 H new ATOM 0 HE22 GLN A 75 21.531 16.354 -10.929 1.00 3.32 H new ATOM 1172 N GLN A 76 19.762 10.955 -5.967 1.00 1.62 N ATOM 1173 CA GLN A 76 19.073 9.671 -5.666 1.00 1.50 C ATOM 1174 C GLN A 76 18.467 9.753 -4.267 1.00 1.27 C ATOM 1175 O GLN A 76 17.439 9.173 -3.993 1.00 1.14 O ATOM 1176 CB GLN A 76 20.071 8.510 -5.724 1.00 1.82 C ATOM 1177 CG GLN A 76 19.452 7.338 -6.492 1.00 1.38 C ATOM 1178 CD GLN A 76 20.506 6.710 -7.405 1.00 2.36 C ATOM 1179 OE1 GLN A 76 21.689 6.917 -7.218 1.00 3.43 O ATOM 1180 NE2 GLN A 76 20.126 5.946 -8.392 1.00 2.25 N ATOM 0 H GLN A 76 20.769 10.886 -6.115 1.00 1.62 H new ATOM 0 HA GLN A 76 18.290 9.498 -6.404 1.00 1.50 H new ATOM 0 HB2 GLN A 76 20.991 8.832 -6.212 1.00 1.82 H new ATOM 0 HB3 GLN A 76 20.338 8.196 -4.715 1.00 1.82 H new ATOM 0 HG2 GLN A 76 19.071 6.593 -5.794 1.00 1.38 H new ATOM 0 HG3 GLN A 76 18.604 7.684 -7.083 1.00 1.38 H new ATOM 0 HE21 GLN A 76 19.133 5.772 -8.549 1.00 2.25 H new ATOM 0 HE22 GLN A 76 20.822 5.523 -9.006 1.00 2.25 H new ATOM 1189 N PHE A 77 19.092 10.478 -3.380 1.00 1.31 N ATOM 1190 CA PHE A 77 18.539 10.603 -2.003 1.00 1.19 C ATOM 1191 C PHE A 77 17.170 11.282 -2.081 1.00 0.99 C ATOM 1192 O PHE A 77 16.275 10.988 -1.315 1.00 0.92 O ATOM 1193 CB PHE A 77 19.480 11.447 -1.140 1.00 1.47 C ATOM 1194 CG PHE A 77 19.800 10.701 0.133 1.00 1.15 C ATOM 1195 CD1 PHE A 77 20.888 9.821 0.172 1.00 0.99 C ATOM 1196 CD2 PHE A 77 19.012 10.890 1.276 1.00 1.18 C ATOM 1197 CE1 PHE A 77 21.187 9.130 1.352 1.00 0.75 C ATOM 1198 CE2 PHE A 77 19.311 10.197 2.456 1.00 0.96 C ATOM 1199 CZ PHE A 77 20.399 9.318 2.493 1.00 0.65 C ATOM 0 H PHE A 77 19.959 10.988 -3.549 1.00 1.31 H new ATOM 0 HA PHE A 77 18.440 9.614 -1.556 1.00 1.19 H new ATOM 0 HB2 PHE A 77 20.397 11.663 -1.688 1.00 1.47 H new ATOM 0 HB3 PHE A 77 19.015 12.405 -0.906 1.00 1.47 H new ATOM 0 HD1 PHE A 77 21.497 9.675 -0.708 1.00 0.99 H new ATOM 0 HD2 PHE A 77 18.174 11.570 1.247 1.00 1.18 H new ATOM 0 HE1 PHE A 77 22.027 8.451 1.382 1.00 0.75 H new ATOM 0 HE2 PHE A 77 18.702 10.341 3.336 1.00 0.96 H new ATOM 0 HZ PHE A 77 20.631 8.784 3.403 1.00 0.65 H new ATOM 1209 N HIS A 78 17.004 12.184 -3.010 1.00 0.97 N ATOM 1210 CA HIS A 78 15.695 12.879 -3.150 1.00 1.03 C ATOM 1211 C HIS A 78 14.643 11.871 -3.610 1.00 0.75 C ATOM 1212 O HIS A 78 13.541 11.828 -3.098 1.00 0.82 O ATOM 1213 CB HIS A 78 15.814 13.996 -4.189 1.00 1.23 C ATOM 1214 CG HIS A 78 14.440 14.401 -4.645 1.00 1.91 C ATOM 1215 ND1 HIS A 78 13.743 13.692 -5.611 1.00 2.59 N ATOM 1216 CD2 HIS A 78 13.617 15.434 -4.272 1.00 2.33 C ATOM 1217 CE1 HIS A 78 12.556 14.303 -5.785 1.00 3.27 C ATOM 1218 NE2 HIS A 78 12.429 15.371 -4.994 1.00 3.06 N ATOM 0 H HIS A 78 17.720 12.469 -3.678 1.00 0.97 H new ATOM 0 HA HIS A 78 15.404 13.308 -2.191 1.00 1.03 H new ATOM 0 HB2 HIS A 78 16.334 14.853 -3.760 1.00 1.23 H new ATOM 0 HB3 HIS A 78 16.406 13.656 -5.039 1.00 1.23 H new ATOM 0 HD2 HIS A 78 13.855 16.182 -3.531 1.00 2.33 H new ATOM 0 HE1 HIS A 78 11.799 13.970 -6.480 1.00 3.27 H new ATOM 0 HE2 HIS A 78 11.632 16.005 -4.932 1.00 3.06 H new ATOM 1226 N ARG A 79 14.977 11.058 -4.571 1.00 0.56 N ATOM 1227 CA ARG A 79 14.003 10.047 -5.069 1.00 0.60 C ATOM 1228 C ARG A 79 13.516 9.188 -3.898 1.00 0.37 C ATOM 1229 O ARG A 79 12.332 9.060 -3.657 1.00 0.18 O ATOM 1230 CB ARG A 79 14.682 9.156 -6.113 1.00 0.72 C ATOM 1231 CG ARG A 79 15.330 10.033 -7.189 1.00 1.53 C ATOM 1232 CD ARG A 79 15.139 9.390 -8.564 1.00 1.90 C ATOM 1233 NE ARG A 79 14.505 10.375 -9.488 1.00 1.35 N ATOM 1234 CZ ARG A 79 14.484 10.170 -10.785 1.00 2.01 C ATOM 1235 NH1 ARG A 79 15.034 9.104 -11.315 1.00 3.21 N ATOM 1236 NH2 ARG A 79 13.910 11.047 -11.562 1.00 1.85 N ATOM 0 H ARG A 79 15.885 11.049 -5.035 1.00 0.56 H new ATOM 0 HA ARG A 79 13.152 10.554 -5.524 1.00 0.60 H new ATOM 0 HB2 ARG A 79 15.436 8.529 -5.637 1.00 0.72 H new ATOM 0 HB3 ARG A 79 13.951 8.486 -6.566 1.00 0.72 H new ATOM 0 HG2 ARG A 79 14.885 11.028 -7.177 1.00 1.53 H new ATOM 0 HG3 ARG A 79 16.392 10.157 -6.979 1.00 1.53 H new ATOM 0 HD2 ARG A 79 16.100 9.067 -8.963 1.00 1.90 H new ATOM 0 HD3 ARG A 79 14.514 8.501 -8.478 1.00 1.90 H new ATOM 0 HE ARG A 79 14.081 11.221 -9.106 1.00 1.35 H new ATOM 0 HH11 ARG A 79 15.490 8.414 -10.717 1.00 3.21 H new ATOM 0 HH12 ARG A 79 15.006 8.964 -12.325 1.00 3.21 H new ATOM 0 HH21 ARG A 79 13.483 11.882 -11.161 1.00 1.85 H new ATOM 0 HH22 ARG A 79 13.888 10.898 -12.571 1.00 1.85 H new ATOM 1250 N HIS A 80 14.423 8.601 -3.167 1.00 0.45 N ATOM 1251 CA HIS A 80 14.022 7.754 -2.009 1.00 0.31 C ATOM 1252 C HIS A 80 13.291 8.608 -0.969 1.00 0.44 C ATOM 1253 O HIS A 80 12.514 8.107 -0.183 1.00 0.43 O ATOM 1254 CB HIS A 80 15.275 7.145 -1.379 1.00 0.34 C ATOM 1255 CG HIS A 80 14.883 6.243 -0.242 1.00 0.56 C ATOM 1256 ND1 HIS A 80 14.218 5.043 -0.444 1.00 0.54 N ATOM 1257 CD2 HIS A 80 15.065 6.346 1.114 1.00 1.42 C ATOM 1258 CE1 HIS A 80 14.026 4.479 0.762 1.00 0.66 C ATOM 1259 NE2 HIS A 80 14.523 5.231 1.746 1.00 1.44 N ATOM 0 H HIS A 80 15.429 8.672 -3.323 1.00 0.45 H new ATOM 0 HA HIS A 80 13.356 6.961 -2.351 1.00 0.31 H new ATOM 0 HB2 HIS A 80 15.833 6.582 -2.127 1.00 0.34 H new ATOM 0 HB3 HIS A 80 15.933 7.935 -1.019 1.00 0.34 H new ATOM 0 HD1 HIS A 80 13.928 4.658 -1.343 1.00 0.54 H new ATOM 0 HD2 HIS A 80 15.555 7.168 1.615 1.00 1.42 H new ATOM 0 HE1 HIS A 80 13.530 3.532 0.915 1.00 0.66 H new ATOM 1267 N LYS A 81 13.535 9.893 -0.952 1.00 0.81 N ATOM 1268 CA LYS A 81 12.855 10.769 0.047 1.00 1.02 C ATOM 1269 C LYS A 81 11.349 10.788 -0.218 1.00 0.86 C ATOM 1270 O LYS A 81 10.548 10.788 0.696 1.00 0.81 O ATOM 1271 CB LYS A 81 13.408 12.189 -0.068 1.00 1.42 C ATOM 1272 CG LYS A 81 13.127 12.953 1.226 1.00 1.77 C ATOM 1273 CD LYS A 81 14.310 12.785 2.178 1.00 0.77 C ATOM 1274 CE LYS A 81 13.945 13.342 3.554 1.00 1.09 C ATOM 1275 NZ LYS A 81 14.128 14.820 3.555 1.00 1.82 N ATOM 0 H LYS A 81 14.175 10.372 -1.586 1.00 0.81 H new ATOM 0 HA LYS A 81 13.038 10.382 1.049 1.00 1.02 H new ATOM 0 HB2 LYS A 81 14.481 12.158 -0.259 1.00 1.42 H new ATOM 0 HB3 LYS A 81 12.948 12.702 -0.913 1.00 1.42 H new ATOM 0 HG2 LYS A 81 12.966 14.009 1.011 1.00 1.77 H new ATOM 0 HG3 LYS A 81 12.215 12.580 1.692 1.00 1.77 H new ATOM 0 HD2 LYS A 81 14.577 11.731 2.260 1.00 0.77 H new ATOM 0 HD3 LYS A 81 15.183 13.305 1.784 1.00 0.77 H new ATOM 0 HE2 LYS A 81 12.912 13.092 3.797 1.00 1.09 H new ATOM 0 HE3 LYS A 81 14.572 12.887 4.321 1.00 1.09 H new ATOM 0 HZ1 LYS A 81 13.880 15.200 4.491 1.00 1.82 H new ATOM 0 HZ2 LYS A 81 15.120 15.047 3.341 1.00 1.82 H new ATOM 0 HZ3 LYS A 81 13.512 15.247 2.834 1.00 1.82 H new ATOM 1289 N GLN A 82 10.957 10.807 -1.460 1.00 0.86 N ATOM 1290 CA GLN A 82 9.503 10.827 -1.786 1.00 0.87 C ATOM 1291 C GLN A 82 8.873 9.476 -1.427 1.00 0.57 C ATOM 1292 O GLN A 82 7.694 9.389 -1.147 1.00 0.69 O ATOM 1293 CB GLN A 82 9.326 11.090 -3.284 1.00 1.14 C ATOM 1294 CG GLN A 82 7.992 11.804 -3.527 1.00 2.21 C ATOM 1295 CD GLN A 82 8.227 13.303 -3.754 1.00 1.00 C ATOM 1296 OE1 GLN A 82 9.346 13.737 -3.942 1.00 0.75 O ATOM 1297 NE2 GLN A 82 7.207 14.116 -3.748 1.00 1.42 N ATOM 0 H GLN A 82 11.582 10.810 -2.266 1.00 0.86 H new ATOM 0 HA GLN A 82 9.013 11.615 -1.213 1.00 0.87 H new ATOM 0 HB2 GLN A 82 10.149 11.700 -3.656 1.00 1.14 H new ATOM 0 HB3 GLN A 82 9.352 10.149 -3.834 1.00 1.14 H new ATOM 0 HG2 GLN A 82 7.492 11.371 -4.394 1.00 2.21 H new ATOM 0 HG3 GLN A 82 7.332 11.657 -2.672 1.00 2.21 H new ATOM 0 HE21 GLN A 82 6.267 13.753 -3.590 1.00 1.42 H new ATOM 0 HE22 GLN A 82 7.350 15.114 -3.901 1.00 1.42 H new ATOM 1306 N LEU A 83 9.647 8.422 -1.438 1.00 0.34 N ATOM 1307 CA LEU A 83 9.084 7.079 -1.104 1.00 0.53 C ATOM 1308 C LEU A 83 8.818 6.977 0.402 1.00 0.55 C ATOM 1309 O LEU A 83 7.789 6.491 0.824 1.00 0.71 O ATOM 1310 CB LEU A 83 10.079 5.991 -1.522 1.00 0.67 C ATOM 1311 CG LEU A 83 9.522 4.602 -1.178 1.00 1.03 C ATOM 1312 CD1 LEU A 83 8.963 3.945 -2.438 1.00 0.78 C ATOM 1313 CD2 LEU A 83 10.647 3.733 -0.611 1.00 1.38 C ATOM 0 H LEU A 83 10.642 8.432 -1.663 1.00 0.34 H new ATOM 0 HA LEU A 83 8.144 6.944 -1.640 1.00 0.53 H new ATOM 0 HB2 LEU A 83 10.274 6.058 -2.592 1.00 0.67 H new ATOM 0 HB3 LEU A 83 11.031 6.145 -1.015 1.00 0.67 H new ATOM 0 HG LEU A 83 8.726 4.704 -0.440 1.00 1.03 H new ATOM 0 HD11 LEU A 83 8.569 2.960 -2.190 1.00 0.78 H new ATOM 0 HD12 LEU A 83 8.164 4.563 -2.847 1.00 0.78 H new ATOM 0 HD13 LEU A 83 9.757 3.842 -3.178 1.00 0.78 H new ATOM 0 HD21 LEU A 83 10.256 2.746 -0.365 1.00 1.38 H new ATOM 0 HD22 LEU A 83 11.440 3.635 -1.352 1.00 1.38 H new ATOM 0 HD23 LEU A 83 11.048 4.199 0.289 1.00 1.38 H new ATOM 1325 N ILE A 84 9.739 7.410 1.217 1.00 0.55 N ATOM 1326 CA ILE A 84 9.531 7.313 2.691 1.00 0.77 C ATOM 1327 C ILE A 84 8.371 8.220 3.113 1.00 0.73 C ATOM 1328 O ILE A 84 7.607 7.896 4.002 1.00 0.92 O ATOM 1329 CB ILE A 84 10.809 7.745 3.415 1.00 0.91 C ATOM 1330 CG1 ILE A 84 11.995 6.940 2.880 1.00 0.93 C ATOM 1331 CG2 ILE A 84 10.661 7.487 4.916 1.00 1.16 C ATOM 1332 CD1 ILE A 84 11.660 5.448 2.916 1.00 1.05 C ATOM 0 H ILE A 84 10.625 7.826 0.929 1.00 0.55 H new ATOM 0 HA ILE A 84 9.293 6.282 2.954 1.00 0.77 H new ATOM 0 HB ILE A 84 10.979 8.808 3.243 1.00 0.91 H new ATOM 0 HG12 ILE A 84 12.225 7.247 1.860 1.00 0.93 H new ATOM 0 HG13 ILE A 84 12.883 7.138 3.481 1.00 0.93 H new ATOM 0 HG21 ILE A 84 11.572 7.795 5.430 1.00 1.16 H new ATOM 0 HG22 ILE A 84 9.816 8.058 5.302 1.00 1.16 H new ATOM 0 HG23 ILE A 84 10.490 6.424 5.087 1.00 1.16 H new ATOM 0 HD11 ILE A 84 12.506 4.876 2.535 1.00 1.05 H new ATOM 0 HD12 ILE A 84 11.451 5.147 3.943 1.00 1.05 H new ATOM 0 HD13 ILE A 84 10.784 5.257 2.297 1.00 1.05 H new ATOM 1344 N ARG A 85 8.237 9.356 2.487 1.00 0.54 N ATOM 1345 CA ARG A 85 7.132 10.287 2.859 1.00 0.55 C ATOM 1346 C ARG A 85 5.776 9.668 2.502 1.00 0.42 C ATOM 1347 O ARG A 85 4.878 9.607 3.320 1.00 0.52 O ATOM 1348 CB ARG A 85 7.306 11.610 2.106 1.00 0.59 C ATOM 1349 CG ARG A 85 7.740 12.700 3.089 1.00 0.79 C ATOM 1350 CD ARG A 85 7.614 14.076 2.430 1.00 1.19 C ATOM 1351 NE ARG A 85 8.080 15.124 3.388 1.00 1.36 N ATOM 1352 CZ ARG A 85 8.314 16.356 2.992 1.00 1.76 C ATOM 1353 NH1 ARG A 85 8.139 16.716 1.743 1.00 2.29 N ATOM 1354 NH2 ARG A 85 8.725 17.240 3.860 1.00 2.05 N ATOM 0 H ARG A 85 8.844 9.681 1.734 1.00 0.54 H new ATOM 0 HA ARG A 85 7.166 10.468 3.933 1.00 0.55 H new ATOM 0 HB2 ARG A 85 8.051 11.498 1.318 1.00 0.59 H new ATOM 0 HB3 ARG A 85 6.371 11.892 1.623 1.00 0.59 H new ATOM 0 HG2 ARG A 85 7.123 12.659 3.987 1.00 0.79 H new ATOM 0 HG3 ARG A 85 8.770 12.530 3.402 1.00 0.79 H new ATOM 0 HD2 ARG A 85 8.208 14.111 1.517 1.00 1.19 H new ATOM 0 HD3 ARG A 85 6.579 14.262 2.144 1.00 1.19 H new ATOM 0 HE ARG A 85 8.219 14.879 4.368 1.00 1.36 H new ATOM 0 HH11 ARG A 85 7.815 16.035 1.056 1.00 2.29 H new ATOM 0 HH12 ARG A 85 8.327 17.677 1.458 1.00 2.29 H new ATOM 0 HH21 ARG A 85 8.862 16.972 4.835 1.00 2.05 H new ATOM 0 HH22 ARG A 85 8.909 18.198 3.564 1.00 2.05 H new ATOM 1368 N PHE A 86 5.618 9.216 1.289 1.00 0.29 N ATOM 1369 CA PHE A 86 4.318 8.609 0.875 1.00 0.40 C ATOM 1370 C PHE A 86 3.949 7.467 1.827 1.00 0.64 C ATOM 1371 O PHE A 86 2.840 7.382 2.306 1.00 0.88 O ATOM 1372 CB PHE A 86 4.439 8.064 -0.557 1.00 0.52 C ATOM 1373 CG PHE A 86 3.409 6.977 -0.781 1.00 2.54 C ATOM 1374 CD1 PHE A 86 3.713 5.645 -0.471 1.00 4.07 C ATOM 1375 CD2 PHE A 86 2.148 7.302 -1.295 1.00 3.62 C ATOM 1376 CE1 PHE A 86 2.760 4.644 -0.671 1.00 5.86 C ATOM 1377 CE2 PHE A 86 1.193 6.296 -1.495 1.00 5.46 C ATOM 1378 CZ PHE A 86 1.499 4.969 -1.181 1.00 6.39 C ATOM 0 H PHE A 86 6.334 9.240 0.563 1.00 0.29 H new ATOM 0 HA PHE A 86 3.540 9.371 0.911 1.00 0.40 H new ATOM 0 HB2 PHE A 86 4.293 8.870 -1.276 1.00 0.52 H new ATOM 0 HB3 PHE A 86 5.441 7.668 -0.722 1.00 0.52 H new ATOM 0 HD1 PHE A 86 4.686 5.392 -0.077 1.00 4.07 H new ATOM 0 HD2 PHE A 86 1.911 8.328 -1.537 1.00 3.62 H new ATOM 0 HE1 PHE A 86 2.997 3.618 -0.432 1.00 5.86 H new ATOM 0 HE2 PHE A 86 0.220 6.546 -1.892 1.00 5.46 H new ATOM 0 HZ PHE A 86 0.762 4.194 -1.332 1.00 6.39 H new ATOM 1388 N LEU A 87 4.865 6.578 2.080 1.00 0.61 N ATOM 1389 CA LEU A 87 4.573 5.420 2.974 1.00 0.86 C ATOM 1390 C LEU A 87 3.984 5.892 4.304 1.00 0.82 C ATOM 1391 O LEU A 87 3.000 5.364 4.777 1.00 0.85 O ATOM 1392 CB LEU A 87 5.872 4.668 3.261 1.00 1.05 C ATOM 1393 CG LEU A 87 6.231 3.769 2.078 1.00 1.28 C ATOM 1394 CD1 LEU A 87 7.714 3.397 2.154 1.00 2.57 C ATOM 1395 CD2 LEU A 87 5.383 2.497 2.131 1.00 0.62 C ATOM 0 H LEU A 87 5.813 6.602 1.704 1.00 0.61 H new ATOM 0 HA LEU A 87 3.852 4.773 2.474 1.00 0.86 H new ATOM 0 HB2 LEU A 87 6.679 5.377 3.447 1.00 1.05 H new ATOM 0 HB3 LEU A 87 5.762 4.067 4.164 1.00 1.05 H new ATOM 0 HG LEU A 87 6.036 4.298 1.145 1.00 1.28 H new ATOM 0 HD11 LEU A 87 7.972 2.756 1.311 1.00 2.57 H new ATOM 0 HD12 LEU A 87 8.319 4.303 2.119 1.00 2.57 H new ATOM 0 HD13 LEU A 87 7.909 2.867 3.086 1.00 2.57 H new ATOM 0 HD21 LEU A 87 5.638 1.855 1.288 1.00 0.62 H new ATOM 0 HD22 LEU A 87 5.579 1.967 3.063 1.00 0.62 H new ATOM 0 HD23 LEU A 87 4.327 2.761 2.080 1.00 0.62 H new ATOM 1407 N LYS A 88 4.597 6.856 4.925 1.00 0.80 N ATOM 1408 CA LYS A 88 4.092 7.334 6.243 1.00 0.82 C ATOM 1409 C LYS A 88 2.668 7.893 6.113 1.00 0.82 C ATOM 1410 O LYS A 88 1.867 7.774 7.020 1.00 0.98 O ATOM 1411 CB LYS A 88 5.029 8.415 6.771 1.00 0.82 C ATOM 1412 CG LYS A 88 6.289 7.763 7.342 1.00 0.87 C ATOM 1413 CD LYS A 88 6.743 8.532 8.585 1.00 0.99 C ATOM 1414 CE LYS A 88 6.963 7.558 9.745 1.00 1.91 C ATOM 1415 NZ LYS A 88 8.164 7.976 10.522 1.00 2.59 N ATOM 0 H LYS A 88 5.428 7.336 4.578 1.00 0.80 H new ATOM 0 HA LYS A 88 4.063 6.495 6.938 1.00 0.82 H new ATOM 0 HB2 LYS A 88 5.295 9.104 5.969 1.00 0.82 H new ATOM 0 HB3 LYS A 88 4.528 9.001 7.542 1.00 0.82 H new ATOM 0 HG2 LYS A 88 6.089 6.723 7.598 1.00 0.87 H new ATOM 0 HG3 LYS A 88 7.081 7.760 6.593 1.00 0.87 H new ATOM 0 HD2 LYS A 88 7.665 9.073 8.373 1.00 0.99 H new ATOM 0 HD3 LYS A 88 5.993 9.275 8.859 1.00 0.99 H new ATOM 0 HE2 LYS A 88 6.086 7.541 10.392 1.00 1.91 H new ATOM 0 HE3 LYS A 88 7.097 6.546 9.364 1.00 1.91 H new ATOM 0 HZ1 LYS A 88 8.315 7.315 11.311 1.00 2.59 H new ATOM 0 HZ2 LYS A 88 8.998 7.970 9.901 1.00 2.59 H new ATOM 0 HZ3 LYS A 88 8.018 8.935 10.897 1.00 2.59 H new ATOM 1429 N ARG A 89 2.342 8.509 5.008 1.00 0.68 N ATOM 1430 CA ARG A 89 0.964 9.075 4.850 1.00 0.68 C ATOM 1431 C ARG A 89 -0.057 7.941 4.705 1.00 0.72 C ATOM 1432 O ARG A 89 -0.946 7.773 5.518 1.00 0.96 O ATOM 1433 CB ARG A 89 0.918 9.955 3.597 1.00 0.58 C ATOM 1434 CG ARG A 89 -0.398 10.738 3.568 1.00 0.35 C ATOM 1435 CD ARG A 89 -1.149 10.423 2.272 1.00 1.39 C ATOM 1436 NE ARG A 89 -2.597 10.743 2.447 1.00 2.24 N ATOM 1437 CZ ARG A 89 -3.405 10.824 1.413 1.00 3.19 C ATOM 1438 NH1 ARG A 89 -2.960 10.665 0.191 1.00 3.72 N ATOM 1439 NH2 ARG A 89 -4.671 11.078 1.606 1.00 4.20 N ATOM 0 H ARG A 89 2.963 8.646 4.211 1.00 0.68 H new ATOM 0 HA ARG A 89 0.720 9.668 5.731 1.00 0.68 H new ATOM 0 HB2 ARG A 89 1.763 10.644 3.593 1.00 0.58 H new ATOM 0 HB3 ARG A 89 1.005 9.337 2.703 1.00 0.58 H new ATOM 0 HG2 ARG A 89 -1.011 10.473 4.430 1.00 0.35 H new ATOM 0 HG3 ARG A 89 -0.199 11.808 3.635 1.00 0.35 H new ATOM 0 HD2 ARG A 89 -0.734 11.004 1.448 1.00 1.39 H new ATOM 0 HD3 ARG A 89 -1.026 9.371 2.014 1.00 1.39 H new ATOM 0 HE ARG A 89 -2.966 10.901 3.385 1.00 2.24 H new ATOM 0 HH11 ARG A 89 -1.971 10.475 0.029 1.00 3.72 H new ATOM 0 HH12 ARG A 89 -3.602 10.731 -0.598 1.00 3.72 H new ATOM 0 HH21 ARG A 89 -5.026 11.212 2.553 1.00 4.20 H new ATOM 0 HH22 ARG A 89 -5.305 11.143 0.810 1.00 4.20 H new ATOM 1453 N LEU A 90 0.060 7.175 3.658 1.00 0.53 N ATOM 1454 CA LEU A 90 -0.894 6.054 3.411 1.00 0.57 C ATOM 1455 C LEU A 90 -0.837 5.011 4.542 1.00 0.61 C ATOM 1456 O LEU A 90 -1.700 4.165 4.648 1.00 0.66 O ATOM 1457 CB LEU A 90 -0.526 5.381 2.088 1.00 0.49 C ATOM 1458 CG LEU A 90 -1.591 4.348 1.723 1.00 0.72 C ATOM 1459 CD1 LEU A 90 -2.169 4.672 0.345 1.00 0.32 C ATOM 1460 CD2 LEU A 90 -0.957 2.956 1.694 1.00 1.50 C ATOM 0 H LEU A 90 0.787 7.278 2.950 1.00 0.53 H new ATOM 0 HA LEU A 90 -1.905 6.458 3.372 1.00 0.57 H new ATOM 0 HB2 LEU A 90 -0.445 6.128 1.299 1.00 0.49 H new ATOM 0 HB3 LEU A 90 0.448 4.899 2.172 1.00 0.49 H new ATOM 0 HG LEU A 90 -2.389 4.372 2.465 1.00 0.72 H new ATOM 0 HD11 LEU A 90 -2.928 3.934 0.086 1.00 0.32 H new ATOM 0 HD12 LEU A 90 -2.619 5.665 0.363 1.00 0.32 H new ATOM 0 HD13 LEU A 90 -1.372 4.649 -0.398 1.00 0.32 H new ATOM 0 HD21 LEU A 90 -1.714 2.217 1.434 1.00 1.50 H new ATOM 0 HD22 LEU A 90 -0.159 2.935 0.952 1.00 1.50 H new ATOM 0 HD23 LEU A 90 -0.545 2.723 2.676 1.00 1.50 H new ATOM 1472 N ASP A 91 0.166 5.048 5.379 1.00 0.61 N ATOM 1473 CA ASP A 91 0.251 4.039 6.478 1.00 0.67 C ATOM 1474 C ASP A 91 -1.023 4.083 7.327 1.00 0.58 C ATOM 1475 O ASP A 91 -1.671 3.078 7.542 1.00 0.62 O ATOM 1476 CB ASP A 91 1.460 4.349 7.363 1.00 0.72 C ATOM 1477 CG ASP A 91 2.554 3.309 7.121 1.00 1.59 C ATOM 1478 OD1 ASP A 91 2.352 2.166 7.500 1.00 1.65 O ATOM 1479 OD2 ASP A 91 3.575 3.671 6.562 1.00 2.78 O ATOM 0 H ASP A 91 0.926 5.728 5.351 1.00 0.61 H new ATOM 0 HA ASP A 91 0.359 3.046 6.043 1.00 0.67 H new ATOM 0 HB2 ASP A 91 1.838 5.347 7.142 1.00 0.72 H new ATOM 0 HB3 ASP A 91 1.166 4.344 8.413 1.00 0.72 H new ATOM 1484 N ARG A 92 -1.383 5.235 7.819 1.00 0.50 N ATOM 1485 CA ARG A 92 -2.609 5.334 8.659 1.00 0.47 C ATOM 1486 C ARG A 92 -3.825 5.619 7.773 1.00 0.46 C ATOM 1487 O ARG A 92 -4.944 5.297 8.118 1.00 0.51 O ATOM 1488 CB ARG A 92 -2.436 6.462 9.679 1.00 0.53 C ATOM 1489 CG ARG A 92 -1.151 6.229 10.476 1.00 1.60 C ATOM 1490 CD ARG A 92 -1.298 4.956 11.312 1.00 1.93 C ATOM 1491 NE ARG A 92 -0.600 5.138 12.624 1.00 2.61 N ATOM 1492 CZ ARG A 92 0.657 5.505 12.691 1.00 3.80 C ATOM 1493 NH1 ARG A 92 1.427 5.485 11.631 1.00 4.99 N ATOM 1494 NH2 ARG A 92 1.168 5.826 13.848 1.00 4.24 N ATOM 0 H ARG A 92 -0.882 6.112 7.676 1.00 0.50 H new ATOM 0 HA ARG A 92 -2.765 4.391 9.183 1.00 0.47 H new ATOM 0 HB2 ARG A 92 -2.392 7.425 9.170 1.00 0.53 H new ATOM 0 HB3 ARG A 92 -3.294 6.495 10.351 1.00 0.53 H new ATOM 0 HG2 ARG A 92 -0.301 6.137 9.799 1.00 1.60 H new ATOM 0 HG3 ARG A 92 -0.952 7.082 11.124 1.00 1.60 H new ATOM 0 HD2 ARG A 92 -2.353 4.736 11.476 1.00 1.93 H new ATOM 0 HD3 ARG A 92 -0.874 4.106 10.777 1.00 1.93 H new ATOM 0 HE ARG A 92 -1.116 4.972 13.488 1.00 2.61 H new ATOM 0 HH11 ARG A 92 1.051 5.180 10.733 1.00 4.99 H new ATOM 0 HH12 ARG A 92 2.402 5.774 11.704 1.00 4.99 H new ATOM 0 HH21 ARG A 92 0.591 5.790 14.688 1.00 4.24 H new ATOM 0 HH22 ARG A 92 2.145 6.113 13.912 1.00 4.24 H new ATOM 1508 N ASN A 93 -3.619 6.222 6.632 1.00 0.52 N ATOM 1509 CA ASN A 93 -4.769 6.521 5.731 1.00 0.52 C ATOM 1510 C ASN A 93 -5.181 5.267 4.945 1.00 0.66 C ATOM 1511 O ASN A 93 -6.148 5.288 4.210 1.00 1.07 O ATOM 1512 CB ASN A 93 -4.369 7.623 4.749 1.00 0.66 C ATOM 1513 CG ASN A 93 -5.421 8.734 4.770 1.00 0.45 C ATOM 1514 OD1 ASN A 93 -5.925 9.128 3.737 1.00 1.50 O ATOM 1515 ND2 ASN A 93 -5.774 9.260 5.910 1.00 1.31 N ATOM 0 H ASN A 93 -2.707 6.519 6.286 1.00 0.52 H new ATOM 0 HA ASN A 93 -5.613 6.848 6.338 1.00 0.52 H new ATOM 0 HB2 ASN A 93 -3.393 8.027 5.018 1.00 0.66 H new ATOM 0 HB3 ASN A 93 -4.278 7.213 3.743 1.00 0.66 H new ATOM 0 HD21 ASN A 93 -6.473 10.002 5.934 1.00 1.31 H new ATOM 0 HD22 ASN A 93 -5.351 8.929 6.777 1.00 1.31 H new ATOM 1522 N LEU A 94 -4.469 4.176 5.079 1.00 0.77 N ATOM 1523 CA LEU A 94 -4.854 2.953 4.319 1.00 0.80 C ATOM 1524 C LEU A 94 -5.823 2.105 5.147 1.00 0.58 C ATOM 1525 O LEU A 94 -6.948 1.871 4.753 1.00 0.60 O ATOM 1526 CB LEU A 94 -3.604 2.130 3.994 1.00 0.97 C ATOM 1527 CG LEU A 94 -4.011 0.865 3.236 1.00 1.14 C ATOM 1528 CD1 LEU A 94 -4.656 1.254 1.904 1.00 0.63 C ATOM 1529 CD2 LEU A 94 -2.772 0.007 2.969 1.00 1.60 C ATOM 0 H LEU A 94 -3.647 4.081 5.675 1.00 0.77 H new ATOM 0 HA LEU A 94 -5.342 3.252 3.392 1.00 0.80 H new ATOM 0 HB2 LEU A 94 -2.912 2.721 3.393 1.00 0.97 H new ATOM 0 HB3 LEU A 94 -3.081 1.864 4.913 1.00 0.97 H new ATOM 0 HG LEU A 94 -4.724 0.298 3.835 1.00 1.14 H new ATOM 0 HD11 LEU A 94 -4.946 0.353 1.363 1.00 0.63 H new ATOM 0 HD12 LEU A 94 -5.539 1.865 2.092 1.00 0.63 H new ATOM 0 HD13 LEU A 94 -3.943 1.822 1.306 1.00 0.63 H new ATOM 0 HD21 LEU A 94 -3.063 -0.894 2.429 1.00 1.60 H new ATOM 0 HD22 LEU A 94 -2.059 0.574 2.371 1.00 1.60 H new ATOM 0 HD23 LEU A 94 -2.311 -0.271 3.917 1.00 1.60 H new ATOM 1541 N TRP A 95 -5.397 1.639 6.289 1.00 0.48 N ATOM 1542 CA TRP A 95 -6.302 0.800 7.133 1.00 0.42 C ATOM 1543 C TRP A 95 -7.090 1.678 8.104 1.00 0.44 C ATOM 1544 O TRP A 95 -8.070 1.248 8.681 1.00 0.42 O ATOM 1545 CB TRP A 95 -5.484 -0.221 7.912 1.00 0.70 C ATOM 1546 CG TRP A 95 -5.219 0.268 9.295 1.00 0.50 C ATOM 1547 CD1 TRP A 95 -4.511 1.374 9.596 1.00 0.60 C ATOM 1548 CD2 TRP A 95 -5.626 -0.321 10.564 1.00 0.89 C ATOM 1549 NE1 TRP A 95 -4.462 1.514 10.973 1.00 0.56 N ATOM 1550 CE2 TRP A 95 -5.135 0.492 11.614 1.00 0.48 C ATOM 1551 CE3 TRP A 95 -6.371 -1.467 10.904 1.00 1.68 C ATOM 1552 CZ2 TRP A 95 -5.370 0.176 12.953 1.00 0.74 C ATOM 1553 CZ3 TRP A 95 -6.608 -1.786 12.251 1.00 2.00 C ATOM 1554 CH2 TRP A 95 -6.109 -0.967 13.274 1.00 1.51 C ATOM 0 H TRP A 95 -4.467 1.800 6.675 1.00 0.48 H new ATOM 0 HA TRP A 95 -7.003 0.279 6.481 1.00 0.42 H new ATOM 0 HB2 TRP A 95 -6.019 -1.170 7.952 1.00 0.70 H new ATOM 0 HB3 TRP A 95 -4.541 -0.408 7.399 1.00 0.70 H new ATOM 0 HD1 TRP A 95 -4.056 2.042 8.880 1.00 0.60 H new ATOM 0 HE1 TRP A 95 -3.987 2.278 11.455 1.00 0.56 H new ATOM 0 HE3 TRP A 95 -6.762 -2.104 10.124 1.00 1.68 H new ATOM 0 HZ2 TRP A 95 -4.983 0.811 13.737 1.00 0.74 H new ATOM 0 HZ3 TRP A 95 -7.179 -2.668 12.501 1.00 2.00 H new ATOM 0 HH2 TRP A 95 -6.295 -1.218 14.308 1.00 1.51 H new ATOM 1565 N GLY A 96 -6.681 2.901 8.290 1.00 0.53 N ATOM 1566 CA GLY A 96 -7.430 3.800 9.212 1.00 0.59 C ATOM 1567 C GLY A 96 -8.895 3.842 8.767 1.00 0.40 C ATOM 1568 O GLY A 96 -9.796 4.001 9.567 1.00 0.29 O ATOM 0 H GLY A 96 -5.863 3.317 7.845 1.00 0.53 H new ATOM 0 HA2 GLY A 96 -7.356 3.438 10.237 1.00 0.59 H new ATOM 0 HA3 GLY A 96 -7.001 4.802 9.196 1.00 0.59 H new ATOM 1572 N LEU A 97 -9.137 3.679 7.491 1.00 0.44 N ATOM 1573 CA LEU A 97 -10.537 3.682 6.983 1.00 0.43 C ATOM 1574 C LEU A 97 -11.209 2.379 7.414 1.00 0.21 C ATOM 1575 O LEU A 97 -12.371 2.349 7.767 1.00 0.27 O ATOM 1576 CB LEU A 97 -10.524 3.760 5.453 1.00 0.64 C ATOM 1577 CG LEU A 97 -10.616 5.221 5.006 1.00 1.54 C ATOM 1578 CD1 LEU A 97 -9.268 5.675 4.440 1.00 2.73 C ATOM 1579 CD2 LEU A 97 -11.691 5.352 3.923 1.00 1.36 C ATOM 0 H LEU A 97 -8.420 3.544 6.778 1.00 0.44 H new ATOM 0 HA LEU A 97 -11.079 4.539 7.383 1.00 0.43 H new ATOM 0 HB2 LEU A 97 -9.611 3.308 5.065 1.00 0.64 H new ATOM 0 HB3 LEU A 97 -11.360 3.192 5.044 1.00 0.64 H new ATOM 0 HG LEU A 97 -10.876 5.845 5.861 1.00 1.54 H new ATOM 0 HD11 LEU A 97 -9.338 6.716 4.123 1.00 2.73 H new ATOM 0 HD12 LEU A 97 -8.500 5.581 5.208 1.00 2.73 H new ATOM 0 HD13 LEU A 97 -9.004 5.052 3.585 1.00 2.73 H new ATOM 0 HD21 LEU A 97 -11.759 6.391 3.602 1.00 1.36 H new ATOM 0 HD22 LEU A 97 -11.427 4.726 3.071 1.00 1.36 H new ATOM 0 HD23 LEU A 97 -12.653 5.032 4.324 1.00 1.36 H new ATOM 1591 N ALA A 98 -10.473 1.300 7.376 1.00 0.14 N ATOM 1592 CA ALA A 98 -11.028 -0.026 7.770 1.00 0.16 C ATOM 1593 C ALA A 98 -11.742 0.077 9.120 1.00 0.36 C ATOM 1594 O ALA A 98 -12.834 -0.423 9.296 1.00 0.39 O ATOM 1595 CB ALA A 98 -9.884 -1.036 7.881 1.00 0.36 C ATOM 0 H ALA A 98 -9.496 1.282 7.084 1.00 0.14 H new ATOM 0 HA ALA A 98 -11.743 -0.351 7.015 1.00 0.16 H new ATOM 0 HB1 ALA A 98 -10.284 -2.008 8.169 1.00 0.36 H new ATOM 0 HB2 ALA A 98 -9.380 -1.122 6.919 1.00 0.36 H new ATOM 0 HB3 ALA A 98 -9.173 -0.698 8.635 1.00 0.36 H new ATOM 1601 N GLY A 99 -11.133 0.719 10.076 1.00 0.58 N ATOM 1602 CA GLY A 99 -11.779 0.846 11.414 1.00 0.84 C ATOM 1603 C GLY A 99 -11.796 -0.523 12.097 1.00 1.11 C ATOM 1604 O GLY A 99 -12.828 -1.004 12.522 1.00 1.48 O ATOM 0 H GLY A 99 -10.218 1.161 9.991 1.00 0.58 H new ATOM 0 HA2 GLY A 99 -11.235 1.565 12.027 1.00 0.84 H new ATOM 0 HA3 GLY A 99 -12.796 1.224 11.306 1.00 0.84 H new ATOM 1608 N LEU A 100 -10.660 -1.159 12.197 1.00 0.96 N ATOM 1609 CA LEU A 100 -10.610 -2.501 12.842 1.00 1.29 C ATOM 1610 C LEU A 100 -9.346 -2.615 13.698 1.00 1.09 C ATOM 1611 O LEU A 100 -8.706 -1.632 14.013 1.00 1.34 O ATOM 1612 CB LEU A 100 -10.578 -3.579 11.756 1.00 1.55 C ATOM 1613 CG LEU A 100 -11.763 -4.528 11.934 1.00 1.99 C ATOM 1614 CD1 LEU A 100 -12.944 -4.038 11.091 1.00 2.65 C ATOM 1615 CD2 LEU A 100 -11.357 -5.932 11.479 1.00 2.16 C ATOM 0 H LEU A 100 -9.764 -0.806 11.859 1.00 0.96 H new ATOM 0 HA LEU A 100 -11.489 -2.633 13.473 1.00 1.29 H new ATOM 0 HB2 LEU A 100 -10.616 -3.116 10.770 1.00 1.55 H new ATOM 0 HB3 LEU A 100 -9.643 -4.136 11.811 1.00 1.55 H new ATOM 0 HG LEU A 100 -12.056 -4.554 12.984 1.00 1.99 H new ATOM 0 HD11 LEU A 100 -13.788 -4.716 11.219 1.00 2.65 H new ATOM 0 HD12 LEU A 100 -13.230 -3.037 11.413 1.00 2.65 H new ATOM 0 HD13 LEU A 100 -12.655 -4.012 10.040 1.00 2.65 H new ATOM 0 HD21 LEU A 100 -12.199 -6.613 11.604 1.00 2.16 H new ATOM 0 HD22 LEU A 100 -11.066 -5.904 10.429 1.00 2.16 H new ATOM 0 HD23 LEU A 100 -10.517 -6.280 12.080 1.00 2.16 H new ATOM 1627 N ASN A 101 -8.977 -3.813 14.068 1.00 1.13 N ATOM 1628 CA ASN A 101 -7.750 -4.002 14.893 1.00 1.06 C ATOM 1629 C ASN A 101 -6.754 -4.863 14.110 1.00 1.03 C ATOM 1630 O ASN A 101 -6.843 -4.981 12.904 1.00 1.76 O ATOM 1631 CB ASN A 101 -8.118 -4.705 16.202 1.00 1.40 C ATOM 1632 CG ASN A 101 -9.547 -4.330 16.593 1.00 2.23 C ATOM 1633 OD1 ASN A 101 -10.378 -5.190 16.802 1.00 3.17 O ATOM 1634 ND2 ASN A 101 -9.869 -3.071 16.703 1.00 2.69 N ATOM 0 H ASN A 101 -9.475 -4.671 13.833 1.00 1.13 H new ATOM 0 HA ASN A 101 -7.303 -3.034 15.120 1.00 1.06 H new ATOM 0 HB2 ASN A 101 -8.033 -5.785 16.084 1.00 1.40 H new ATOM 0 HB3 ASN A 101 -7.425 -4.415 16.991 1.00 1.40 H new ATOM 0 HD21 ASN A 101 -10.819 -2.809 16.965 1.00 2.69 H new ATOM 0 HD22 ASN A 101 -9.171 -2.349 16.527 1.00 2.69 H new ATOM 1641 N SER A 102 -5.815 -5.474 14.778 1.00 0.81 N ATOM 1642 CA SER A 102 -4.832 -6.331 14.055 1.00 1.05 C ATOM 1643 C SER A 102 -5.591 -7.423 13.301 1.00 0.85 C ATOM 1644 O SER A 102 -6.620 -7.891 13.747 1.00 1.29 O ATOM 1645 CB SER A 102 -3.878 -6.977 15.063 1.00 1.80 C ATOM 1646 OG SER A 102 -2.939 -6.008 15.508 1.00 2.45 O ATOM 0 H SER A 102 -5.685 -5.418 15.788 1.00 0.81 H new ATOM 0 HA SER A 102 -4.258 -5.725 13.354 1.00 1.05 H new ATOM 0 HB2 SER A 102 -4.439 -7.373 15.910 1.00 1.80 H new ATOM 0 HB3 SER A 102 -3.360 -7.818 14.603 1.00 1.80 H new ATOM 0 HG SER A 102 -2.328 -6.418 16.155 1.00 2.45 H new ATOM 1652 N CYS A 103 -5.099 -7.837 12.164 1.00 1.05 N ATOM 1653 CA CYS A 103 -5.808 -8.900 11.398 1.00 1.47 C ATOM 1654 C CYS A 103 -4.834 -10.049 11.112 1.00 1.69 C ATOM 1655 O CYS A 103 -3.635 -9.856 11.130 1.00 1.61 O ATOM 1656 CB CYS A 103 -6.327 -8.326 10.076 1.00 2.12 C ATOM 1657 SG CYS A 103 -6.083 -6.530 10.051 1.00 0.54 S ATOM 0 H CYS A 103 -4.242 -7.487 11.735 1.00 1.05 H new ATOM 0 HA CYS A 103 -6.651 -9.270 11.982 1.00 1.47 H new ATOM 0 HB2 CYS A 103 -5.802 -8.785 9.238 1.00 2.12 H new ATOM 0 HB3 CYS A 103 -7.385 -8.561 9.957 1.00 2.12 H new ATOM 1662 N PRO A 104 -5.380 -11.214 10.861 1.00 2.26 N ATOM 1663 CA PRO A 104 -4.577 -12.415 10.570 1.00 2.55 C ATOM 1664 C PRO A 104 -3.829 -12.248 9.244 1.00 1.88 C ATOM 1665 O PRO A 104 -4.383 -12.449 8.182 1.00 2.03 O ATOM 1666 CB PRO A 104 -5.599 -13.554 10.464 1.00 3.33 C ATOM 1667 CG PRO A 104 -7.011 -12.937 10.627 1.00 3.58 C ATOM 1668 CD PRO A 104 -6.838 -11.428 10.855 1.00 2.85 C ATOM 0 HA PRO A 104 -3.826 -12.604 11.337 1.00 2.55 H new ATOM 0 HB2 PRO A 104 -5.511 -14.059 9.502 1.00 3.33 H new ATOM 0 HB3 PRO A 104 -5.418 -14.303 11.235 1.00 3.33 H new ATOM 0 HG2 PRO A 104 -7.614 -13.123 9.738 1.00 3.58 H new ATOM 0 HG3 PRO A 104 -7.533 -13.393 11.468 1.00 3.58 H new ATOM 0 HD2 PRO A 104 -7.319 -10.851 10.066 1.00 2.85 H new ATOM 0 HD3 PRO A 104 -7.288 -11.116 11.798 1.00 2.85 H new ATOM 1676 N VAL A 105 -2.575 -11.892 9.297 1.00 1.51 N ATOM 1677 CA VAL A 105 -1.795 -11.726 8.037 1.00 0.84 C ATOM 1678 C VAL A 105 -0.593 -12.674 8.058 1.00 0.53 C ATOM 1679 O VAL A 105 0.522 -12.287 7.771 1.00 0.87 O ATOM 1680 CB VAL A 105 -1.308 -10.278 7.910 1.00 0.67 C ATOM 1681 CG1 VAL A 105 -2.390 -9.432 7.240 1.00 2.25 C ATOM 1682 CG2 VAL A 105 -1.012 -9.712 9.301 1.00 1.94 C ATOM 0 H VAL A 105 -2.057 -11.709 10.156 1.00 1.51 H new ATOM 0 HA VAL A 105 -2.432 -11.961 7.184 1.00 0.84 H new ATOM 0 HB VAL A 105 -0.400 -10.255 7.307 1.00 0.67 H new ATOM 0 HG11 VAL A 105 -2.043 -8.403 7.150 1.00 2.25 H new ATOM 0 HG12 VAL A 105 -2.602 -9.831 6.248 1.00 2.25 H new ATOM 0 HG13 VAL A 105 -3.298 -9.458 7.843 1.00 2.25 H new ATOM 0 HG21 VAL A 105 -0.666 -8.683 9.209 1.00 1.94 H new ATOM 0 HG22 VAL A 105 -1.919 -9.737 9.905 1.00 1.94 H new ATOM 0 HG23 VAL A 105 -0.240 -10.313 9.781 1.00 1.94 H new ATOM 1692 N LYS A 106 -0.813 -13.916 8.392 1.00 0.89 N ATOM 1693 CA LYS A 106 0.318 -14.888 8.427 1.00 1.12 C ATOM 1694 C LYS A 106 -0.047 -16.157 7.641 1.00 1.28 C ATOM 1695 O LYS A 106 0.550 -17.200 7.826 1.00 1.88 O ATOM 1696 CB LYS A 106 0.623 -15.270 9.877 1.00 1.84 C ATOM 1697 CG LYS A 106 2.133 -15.446 10.054 1.00 2.43 C ATOM 1698 CD LYS A 106 2.417 -16.828 10.648 1.00 2.72 C ATOM 1699 CE LYS A 106 3.646 -16.754 11.555 1.00 3.79 C ATOM 1700 NZ LYS A 106 3.981 -18.120 12.048 1.00 4.04 N ATOM 0 H LYS A 106 -1.724 -14.300 8.642 1.00 0.89 H new ATOM 0 HA LYS A 106 1.193 -14.422 7.974 1.00 1.12 H new ATOM 0 HB2 LYS A 106 0.255 -14.498 10.552 1.00 1.84 H new ATOM 0 HB3 LYS A 106 0.106 -16.194 10.137 1.00 1.84 H new ATOM 0 HG2 LYS A 106 2.638 -15.340 9.094 1.00 2.43 H new ATOM 0 HG3 LYS A 106 2.527 -14.669 10.709 1.00 2.43 H new ATOM 0 HD2 LYS A 106 1.554 -17.175 11.216 1.00 2.72 H new ATOM 0 HD3 LYS A 106 2.585 -17.551 9.849 1.00 2.72 H new ATOM 0 HE2 LYS A 106 4.491 -16.336 11.008 1.00 3.79 H new ATOM 0 HE3 LYS A 106 3.451 -16.089 12.397 1.00 3.79 H new ATOM 0 HZ1 LYS A 106 4.817 -18.071 12.665 1.00 4.04 H new ATOM 0 HZ2 LYS A 106 3.176 -18.502 12.585 1.00 4.04 H new ATOM 0 HZ3 LYS A 106 4.184 -18.741 11.239 1.00 4.04 H new ATOM 1714 N GLU A 107 -1.019 -16.089 6.769 1.00 0.87 N ATOM 1715 CA GLU A 107 -1.408 -17.303 5.986 1.00 1.27 C ATOM 1716 C GLU A 107 -0.712 -17.313 4.620 1.00 1.38 C ATOM 1717 O GLU A 107 -0.832 -18.260 3.868 1.00 2.42 O ATOM 1718 CB GLU A 107 -2.924 -17.308 5.779 1.00 1.27 C ATOM 1719 CG GLU A 107 -3.352 -15.990 5.131 1.00 0.58 C ATOM 1720 CD GLU A 107 -4.448 -16.261 4.099 1.00 0.87 C ATOM 1721 OE1 GLU A 107 -4.108 -16.642 2.990 1.00 2.00 O ATOM 1722 OE2 GLU A 107 -5.608 -16.083 4.432 1.00 1.36 O ATOM 0 H GLU A 107 -1.560 -15.249 6.564 1.00 0.87 H new ATOM 0 HA GLU A 107 -1.102 -18.189 6.542 1.00 1.27 H new ATOM 0 HB2 GLU A 107 -3.213 -18.148 5.147 1.00 1.27 H new ATOM 0 HB3 GLU A 107 -3.432 -17.438 6.734 1.00 1.27 H new ATOM 0 HG2 GLU A 107 -3.717 -15.300 5.892 1.00 0.58 H new ATOM 0 HG3 GLU A 107 -2.497 -15.513 4.652 1.00 0.58 H new ATOM 1729 N ALA A 108 0.013 -16.282 4.285 1.00 0.67 N ATOM 1730 CA ALA A 108 0.697 -16.266 2.969 1.00 0.61 C ATOM 1731 C ALA A 108 2.136 -16.747 3.141 1.00 0.83 C ATOM 1732 O ALA A 108 2.743 -16.576 4.183 1.00 0.85 O ATOM 1733 CB ALA A 108 0.700 -14.846 2.414 1.00 0.31 C ATOM 0 H ALA A 108 0.159 -15.455 4.865 1.00 0.67 H new ATOM 0 HA ALA A 108 0.172 -16.925 2.277 1.00 0.61 H new ATOM 0 HB1 ALA A 108 1.203 -14.834 1.447 1.00 0.31 H new ATOM 0 HB2 ALA A 108 -0.327 -14.500 2.293 1.00 0.31 H new ATOM 0 HB3 ALA A 108 1.226 -14.187 3.104 1.00 0.31 H new ATOM 1739 N ASP A 109 2.686 -17.350 2.124 1.00 1.06 N ATOM 1740 CA ASP A 109 4.089 -17.849 2.216 1.00 1.28 C ATOM 1741 C ASP A 109 5.052 -16.795 1.664 1.00 1.25 C ATOM 1742 O ASP A 109 5.890 -16.280 2.376 1.00 2.28 O ATOM 1743 CB ASP A 109 4.232 -19.145 1.418 1.00 1.69 C ATOM 1744 CG ASP A 109 3.071 -20.076 1.765 1.00 1.77 C ATOM 1745 OD1 ASP A 109 3.176 -20.773 2.760 1.00 2.60 O ATOM 1746 OD2 ASP A 109 2.099 -20.074 1.030 1.00 2.18 O ATOM 0 H ASP A 109 2.224 -17.520 1.231 1.00 1.06 H new ATOM 0 HA ASP A 109 4.330 -18.043 3.261 1.00 1.28 H new ATOM 0 HB2 ASP A 109 4.235 -18.930 0.349 1.00 1.69 H new ATOM 0 HB3 ASP A 109 5.182 -19.626 1.649 1.00 1.69 H new ATOM 1751 N GLN A 110 4.954 -16.469 0.402 1.00 0.96 N ATOM 1752 CA GLN A 110 5.885 -15.453 -0.164 1.00 1.02 C ATOM 1753 C GLN A 110 5.415 -15.008 -1.554 1.00 1.18 C ATOM 1754 O GLN A 110 5.746 -15.616 -2.553 1.00 1.49 O ATOM 1755 CB GLN A 110 7.283 -16.071 -0.284 1.00 1.32 C ATOM 1756 CG GLN A 110 8.313 -15.193 0.430 1.00 0.75 C ATOM 1757 CD GLN A 110 9.205 -16.076 1.303 1.00 1.13 C ATOM 1758 OE1 GLN A 110 9.928 -16.914 0.800 1.00 2.13 O ATOM 1759 NE2 GLN A 110 9.185 -15.923 2.597 1.00 0.89 N ATOM 0 H GLN A 110 4.277 -16.858 -0.254 1.00 0.96 H new ATOM 0 HA GLN A 110 5.906 -14.586 0.496 1.00 1.02 H new ATOM 0 HB2 GLN A 110 7.285 -17.071 0.149 1.00 1.32 H new ATOM 0 HB3 GLN A 110 7.552 -16.178 -1.335 1.00 1.32 H new ATOM 0 HG2 GLN A 110 8.917 -14.653 -0.299 1.00 0.75 H new ATOM 0 HG3 GLN A 110 7.809 -14.445 1.043 1.00 0.75 H new ATOM 0 HE21 GLN A 110 8.578 -15.220 3.018 1.00 0.89 H new ATOM 0 HE22 GLN A 110 9.776 -16.507 3.189 1.00 0.89 H new ATOM 1768 N SER A 111 4.665 -13.941 -1.630 1.00 1.03 N ATOM 1769 CA SER A 111 4.202 -13.448 -2.961 1.00 1.22 C ATOM 1770 C SER A 111 5.077 -12.262 -3.368 1.00 1.22 C ATOM 1771 O SER A 111 5.227 -11.326 -2.615 1.00 1.43 O ATOM 1772 CB SER A 111 2.746 -12.991 -2.866 1.00 1.27 C ATOM 1773 OG SER A 111 2.603 -11.745 -3.538 1.00 1.07 O ATOM 0 H SER A 111 4.353 -13.390 -0.830 1.00 1.03 H new ATOM 0 HA SER A 111 4.277 -14.247 -3.699 1.00 1.22 H new ATOM 0 HB2 SER A 111 2.088 -13.737 -3.313 1.00 1.27 H new ATOM 0 HB3 SER A 111 2.451 -12.891 -1.821 1.00 1.27 H new ATOM 0 HG SER A 111 1.674 -11.635 -3.829 1.00 1.07 H new ATOM 1779 N THR A 112 5.664 -12.301 -4.541 1.00 1.16 N ATOM 1780 CA THR A 112 6.548 -11.177 -4.990 1.00 1.18 C ATOM 1781 C THR A 112 5.876 -9.826 -4.717 1.00 1.02 C ATOM 1782 O THR A 112 4.744 -9.597 -5.080 1.00 0.89 O ATOM 1783 CB THR A 112 6.832 -11.319 -6.487 1.00 1.37 C ATOM 1784 OG1 THR A 112 5.695 -11.877 -7.132 1.00 1.75 O ATOM 1785 CG2 THR A 112 8.043 -12.233 -6.696 1.00 0.89 C ATOM 0 H THR A 112 5.569 -13.066 -5.209 1.00 1.16 H new ATOM 0 HA THR A 112 7.484 -11.220 -4.434 1.00 1.18 H new ATOM 0 HB THR A 112 7.045 -10.338 -6.912 1.00 1.37 H new ATOM 0 HG1 THR A 112 5.900 -12.790 -7.424 1.00 1.75 H new ATOM 0 HG21 THR A 112 8.244 -12.333 -7.763 1.00 0.89 H new ATOM 0 HG22 THR A 112 8.914 -11.802 -6.202 1.00 0.89 H new ATOM 0 HG23 THR A 112 7.835 -13.216 -6.272 1.00 0.89 H new ATOM 1793 N LEU A 113 6.574 -8.942 -4.061 1.00 1.08 N ATOM 1794 CA LEU A 113 6.002 -7.603 -3.727 1.00 1.00 C ATOM 1795 C LEU A 113 5.430 -6.918 -4.976 1.00 0.97 C ATOM 1796 O LEU A 113 4.510 -6.129 -4.889 1.00 1.12 O ATOM 1797 CB LEU A 113 7.115 -6.726 -3.147 1.00 1.06 C ATOM 1798 CG LEU A 113 6.504 -5.528 -2.420 1.00 1.06 C ATOM 1799 CD1 LEU A 113 7.351 -5.184 -1.196 1.00 1.54 C ATOM 1800 CD2 LEU A 113 6.478 -4.322 -3.359 1.00 1.01 C ATOM 0 H LEU A 113 7.530 -9.090 -3.737 1.00 1.08 H new ATOM 0 HA LEU A 113 5.195 -7.737 -3.006 1.00 1.00 H new ATOM 0 HB2 LEU A 113 7.727 -7.308 -2.458 1.00 1.06 H new ATOM 0 HB3 LEU A 113 7.773 -6.382 -3.945 1.00 1.06 H new ATOM 0 HG LEU A 113 5.490 -5.777 -2.108 1.00 1.06 H new ATOM 0 HD11 LEU A 113 6.914 -4.330 -0.679 1.00 1.54 H new ATOM 0 HD12 LEU A 113 7.380 -6.040 -0.522 1.00 1.54 H new ATOM 0 HD13 LEU A 113 8.364 -4.937 -1.513 1.00 1.54 H new ATOM 0 HD21 LEU A 113 6.042 -3.467 -2.841 1.00 1.01 H new ATOM 0 HD22 LEU A 113 7.495 -4.080 -3.668 1.00 1.01 H new ATOM 0 HD23 LEU A 113 5.878 -4.558 -4.238 1.00 1.01 H new ATOM 1812 N GLU A 114 5.981 -7.181 -6.128 1.00 0.81 N ATOM 1813 CA GLU A 114 5.482 -6.506 -7.364 1.00 0.83 C ATOM 1814 C GLU A 114 4.140 -7.096 -7.815 1.00 0.78 C ATOM 1815 O GLU A 114 3.218 -6.375 -8.143 1.00 0.88 O ATOM 1816 CB GLU A 114 6.519 -6.667 -8.478 1.00 0.64 C ATOM 1817 CG GLU A 114 7.713 -5.751 -8.198 1.00 1.25 C ATOM 1818 CD GLU A 114 8.791 -5.974 -9.262 1.00 1.35 C ATOM 1819 OE1 GLU A 114 8.634 -5.455 -10.355 1.00 1.43 O ATOM 1820 OE2 GLU A 114 9.754 -6.661 -8.965 1.00 1.91 O ATOM 0 H GLU A 114 6.753 -7.832 -6.270 1.00 0.81 H new ATOM 0 HA GLU A 114 5.329 -5.449 -7.146 1.00 0.83 H new ATOM 0 HB2 GLU A 114 6.848 -7.704 -8.536 1.00 0.64 H new ATOM 0 HB3 GLU A 114 6.075 -6.419 -9.442 1.00 0.64 H new ATOM 0 HG2 GLU A 114 7.394 -4.709 -8.202 1.00 1.25 H new ATOM 0 HG3 GLU A 114 8.118 -5.957 -7.207 1.00 1.25 H new ATOM 1827 N ASN A 115 4.021 -8.392 -7.850 1.00 0.68 N ATOM 1828 CA ASN A 115 2.735 -9.010 -8.297 1.00 0.75 C ATOM 1829 C ASN A 115 1.610 -8.622 -7.332 1.00 0.91 C ATOM 1830 O ASN A 115 0.525 -8.251 -7.740 1.00 0.73 O ATOM 1831 CB ASN A 115 2.886 -10.531 -8.319 1.00 0.71 C ATOM 1832 CG ASN A 115 4.021 -10.915 -9.269 1.00 1.63 C ATOM 1833 OD1 ASN A 115 4.587 -10.068 -9.930 1.00 2.27 O ATOM 1834 ND2 ASN A 115 4.380 -12.165 -9.367 1.00 2.57 N ATOM 0 H ASN A 115 4.754 -9.052 -7.590 1.00 0.68 H new ATOM 0 HA ASN A 115 2.489 -8.651 -9.296 1.00 0.75 H new ATOM 0 HB2 ASN A 115 3.096 -10.901 -7.316 1.00 0.71 H new ATOM 0 HB3 ASN A 115 1.954 -10.995 -8.642 1.00 0.71 H new ATOM 0 HD21 ASN A 115 5.136 -12.431 -9.998 1.00 2.57 H new ATOM 0 HD22 ASN A 115 3.905 -12.877 -8.812 1.00 2.57 H new ATOM 1841 N PHE A 116 1.864 -8.703 -6.059 1.00 1.31 N ATOM 1842 CA PHE A 116 0.827 -8.337 -5.059 1.00 1.47 C ATOM 1843 C PHE A 116 0.445 -6.868 -5.261 1.00 1.35 C ATOM 1844 O PHE A 116 -0.719 -6.509 -5.263 1.00 1.26 O ATOM 1845 CB PHE A 116 1.397 -8.563 -3.654 1.00 1.77 C ATOM 1846 CG PHE A 116 0.964 -7.455 -2.725 1.00 1.30 C ATOM 1847 CD1 PHE A 116 -0.340 -7.436 -2.217 1.00 1.08 C ATOM 1848 CD2 PHE A 116 1.870 -6.452 -2.364 1.00 1.33 C ATOM 1849 CE1 PHE A 116 -0.738 -6.414 -1.348 1.00 0.74 C ATOM 1850 CE2 PHE A 116 1.473 -5.429 -1.496 1.00 1.02 C ATOM 1851 CZ PHE A 116 0.168 -5.408 -0.988 1.00 0.57 C ATOM 0 H PHE A 116 2.753 -9.010 -5.665 1.00 1.31 H new ATOM 0 HA PHE A 116 -0.065 -8.952 -5.181 1.00 1.47 H new ATOM 0 HB2 PHE A 116 1.057 -9.524 -3.267 1.00 1.77 H new ATOM 0 HB3 PHE A 116 2.485 -8.604 -3.699 1.00 1.77 H new ATOM 0 HD1 PHE A 116 -1.039 -8.210 -2.496 1.00 1.08 H new ATOM 0 HD2 PHE A 116 2.876 -6.467 -2.756 1.00 1.33 H new ATOM 0 HE1 PHE A 116 -1.744 -6.401 -0.955 1.00 0.74 H new ATOM 0 HE2 PHE A 116 2.173 -4.655 -1.218 1.00 1.02 H new ATOM 0 HZ PHE A 116 -0.139 -4.617 -0.320 1.00 0.57 H new ATOM 1861 N LEU A 117 1.414 -6.013 -5.456 1.00 1.35 N ATOM 1862 CA LEU A 117 1.091 -4.577 -5.678 1.00 1.27 C ATOM 1863 C LEU A 117 0.243 -4.449 -6.945 1.00 1.15 C ATOM 1864 O LEU A 117 -0.546 -3.537 -7.080 1.00 1.01 O ATOM 1865 CB LEU A 117 2.380 -3.767 -5.848 1.00 1.31 C ATOM 1866 CG LEU A 117 2.860 -3.245 -4.491 1.00 1.68 C ATOM 1867 CD1 LEU A 117 4.134 -2.427 -4.692 1.00 1.55 C ATOM 1868 CD2 LEU A 117 1.788 -2.347 -3.867 1.00 1.71 C ATOM 0 H LEU A 117 2.407 -6.246 -5.471 1.00 1.35 H new ATOM 0 HA LEU A 117 0.542 -4.193 -4.818 1.00 1.27 H new ATOM 0 HB2 LEU A 117 3.152 -4.389 -6.300 1.00 1.31 H new ATOM 0 HB3 LEU A 117 2.206 -2.932 -6.526 1.00 1.31 H new ATOM 0 HG LEU A 117 3.054 -4.090 -3.831 1.00 1.68 H new ATOM 0 HD11 LEU A 117 4.481 -2.052 -3.729 1.00 1.55 H new ATOM 0 HD12 LEU A 117 4.905 -3.057 -5.136 1.00 1.55 H new ATOM 0 HD13 LEU A 117 3.926 -1.587 -5.355 1.00 1.55 H new ATOM 0 HD21 LEU A 117 2.137 -1.980 -2.902 1.00 1.71 H new ATOM 0 HD22 LEU A 117 1.592 -1.502 -4.527 1.00 1.71 H new ATOM 0 HD23 LEU A 117 0.871 -2.919 -3.727 1.00 1.71 H new ATOM 1880 N GLU A 118 0.390 -5.360 -7.870 1.00 1.23 N ATOM 1881 CA GLU A 118 -0.429 -5.288 -9.110 1.00 1.13 C ATOM 1882 C GLU A 118 -1.894 -5.425 -8.713 1.00 1.02 C ATOM 1883 O GLU A 118 -2.741 -4.658 -9.125 1.00 0.93 O ATOM 1884 CB GLU A 118 -0.044 -6.437 -10.047 1.00 1.28 C ATOM 1885 CG GLU A 118 0.243 -5.890 -11.446 1.00 0.43 C ATOM 1886 CD GLU A 118 -0.617 -6.636 -12.469 1.00 1.32 C ATOM 1887 OE1 GLU A 118 -0.310 -7.783 -12.747 1.00 2.13 O ATOM 1888 OE2 GLU A 118 -1.567 -6.046 -12.958 1.00 1.99 O ATOM 0 H GLU A 118 1.038 -6.146 -7.819 1.00 1.23 H new ATOM 0 HA GLU A 118 -0.259 -4.342 -9.624 1.00 1.13 H new ATOM 0 HB2 GLU A 118 0.835 -6.954 -9.661 1.00 1.28 H new ATOM 0 HB3 GLU A 118 -0.851 -7.169 -10.091 1.00 1.28 H new ATOM 0 HG2 GLU A 118 0.027 -4.822 -11.482 1.00 0.43 H new ATOM 0 HG3 GLU A 118 1.299 -6.010 -11.686 1.00 0.43 H new ATOM 1895 N ARG A 119 -2.189 -6.392 -7.895 1.00 1.03 N ATOM 1896 CA ARG A 119 -3.590 -6.589 -7.435 1.00 0.96 C ATOM 1897 C ARG A 119 -4.037 -5.370 -6.608 1.00 0.76 C ATOM 1898 O ARG A 119 -5.213 -5.129 -6.431 1.00 0.69 O ATOM 1899 CB ARG A 119 -3.654 -7.853 -6.579 1.00 1.02 C ATOM 1900 CG ARG A 119 -3.179 -9.049 -7.411 1.00 1.05 C ATOM 1901 CD ARG A 119 -4.210 -10.177 -7.339 1.00 1.66 C ATOM 1902 NE ARG A 119 -4.345 -10.811 -8.684 1.00 1.41 N ATOM 1903 CZ ARG A 119 -4.902 -11.992 -8.825 1.00 1.88 C ATOM 1904 NH1 ARG A 119 -5.332 -12.673 -7.790 1.00 2.72 N ATOM 1905 NH2 ARG A 119 -5.025 -12.500 -10.022 1.00 1.81 N ATOM 0 H ARG A 119 -1.515 -7.060 -7.522 1.00 1.03 H new ATOM 0 HA ARG A 119 -4.254 -6.695 -8.293 1.00 0.96 H new ATOM 0 HB2 ARG A 119 -3.028 -7.739 -5.694 1.00 1.02 H new ATOM 0 HB3 ARG A 119 -4.673 -8.019 -6.230 1.00 1.02 H new ATOM 0 HG2 ARG A 119 -3.031 -8.746 -8.447 1.00 1.05 H new ATOM 0 HG3 ARG A 119 -2.216 -9.401 -7.041 1.00 1.05 H new ATOM 0 HD2 ARG A 119 -3.902 -10.920 -6.604 1.00 1.66 H new ATOM 0 HD3 ARG A 119 -5.173 -9.785 -7.011 1.00 1.66 H new ATOM 0 HE ARG A 119 -3.999 -10.319 -9.507 1.00 1.41 H new ATOM 0 HH11 ARG A 119 -5.237 -12.287 -6.851 1.00 2.72 H new ATOM 0 HH12 ARG A 119 -5.761 -13.588 -7.924 1.00 2.72 H new ATOM 0 HH21 ARG A 119 -4.690 -11.980 -10.833 1.00 1.81 H new ATOM 0 HH22 ARG A 119 -5.456 -13.416 -10.145 1.00 1.81 H new ATOM 1919 N LEU A 120 -3.111 -4.593 -6.106 1.00 0.69 N ATOM 1920 CA LEU A 120 -3.497 -3.388 -5.312 1.00 0.49 C ATOM 1921 C LEU A 120 -4.023 -2.294 -6.259 1.00 0.41 C ATOM 1922 O LEU A 120 -5.173 -1.910 -6.192 1.00 0.58 O ATOM 1923 CB LEU A 120 -2.268 -2.865 -4.565 1.00 0.50 C ATOM 1924 CG LEU A 120 -2.443 -3.079 -3.062 1.00 0.52 C ATOM 1925 CD1 LEU A 120 -1.210 -2.547 -2.332 1.00 0.03 C ATOM 1926 CD2 LEU A 120 -3.684 -2.324 -2.577 1.00 0.91 C ATOM 0 H LEU A 120 -2.107 -4.740 -6.211 1.00 0.69 H new ATOM 0 HA LEU A 120 -4.277 -3.654 -4.599 1.00 0.49 H new ATOM 0 HB2 LEU A 120 -1.373 -3.381 -4.913 1.00 0.50 H new ATOM 0 HB3 LEU A 120 -2.127 -1.805 -4.776 1.00 0.50 H new ATOM 0 HG LEU A 120 -2.563 -4.143 -2.857 1.00 0.52 H new ATOM 0 HD11 LEU A 120 -1.329 -2.697 -1.259 1.00 0.03 H new ATOM 0 HD12 LEU A 120 -0.324 -3.081 -2.677 1.00 0.03 H new ATOM 0 HD13 LEU A 120 -1.096 -1.483 -2.539 1.00 0.03 H new ATOM 0 HD21 LEU A 120 -3.807 -2.478 -1.505 1.00 0.91 H new ATOM 0 HD22 LEU A 120 -3.565 -1.260 -2.780 1.00 0.91 H new ATOM 0 HD23 LEU A 120 -4.564 -2.697 -3.101 1.00 0.91 H new ATOM 1938 N LYS A 121 -3.182 -1.797 -7.138 1.00 0.24 N ATOM 1939 CA LYS A 121 -3.611 -0.732 -8.106 1.00 0.20 C ATOM 1940 C LYS A 121 -4.917 -1.162 -8.772 1.00 0.09 C ATOM 1941 O LYS A 121 -5.846 -0.393 -8.921 1.00 0.08 O ATOM 1942 CB LYS A 121 -2.487 -0.543 -9.152 1.00 0.38 C ATOM 1943 CG LYS A 121 -3.008 -0.598 -10.602 1.00 1.86 C ATOM 1944 CD LYS A 121 -3.874 0.626 -10.915 1.00 1.48 C ATOM 1945 CE LYS A 121 -4.854 0.282 -12.039 1.00 2.12 C ATOM 1946 NZ LYS A 121 -5.288 1.533 -12.722 1.00 2.93 N ATOM 0 H LYS A 121 -2.208 -2.086 -7.227 1.00 0.24 H new ATOM 0 HA LYS A 121 -3.783 0.216 -7.596 1.00 0.20 H new ATOM 0 HB2 LYS A 121 -1.996 0.415 -8.983 1.00 0.38 H new ATOM 0 HB3 LYS A 121 -1.732 -1.317 -9.012 1.00 0.38 H new ATOM 0 HG2 LYS A 121 -2.167 -0.641 -11.294 1.00 1.86 H new ATOM 0 HG3 LYS A 121 -3.589 -1.508 -10.750 1.00 1.86 H new ATOM 0 HD2 LYS A 121 -4.420 0.936 -10.024 1.00 1.48 H new ATOM 0 HD3 LYS A 121 -3.244 1.465 -11.211 1.00 1.48 H new ATOM 0 HE2 LYS A 121 -4.381 -0.390 -12.755 1.00 2.12 H new ATOM 0 HE3 LYS A 121 -5.719 -0.242 -11.633 1.00 2.12 H new ATOM 0 HZ1 LYS A 121 -5.954 1.299 -13.486 1.00 2.93 H new ATOM 0 HZ2 LYS A 121 -5.755 2.159 -12.035 1.00 2.93 H new ATOM 0 HZ3 LYS A 121 -4.458 2.016 -13.122 1.00 2.93 H new ATOM 1960 N THR A 122 -4.985 -2.394 -9.162 1.00 0.22 N ATOM 1961 CA THR A 122 -6.212 -2.915 -9.813 1.00 0.26 C ATOM 1962 C THR A 122 -7.411 -2.676 -8.898 1.00 0.36 C ATOM 1963 O THR A 122 -8.401 -2.093 -9.290 1.00 0.51 O ATOM 1964 CB THR A 122 -6.026 -4.411 -10.035 1.00 0.56 C ATOM 1965 OG1 THR A 122 -5.250 -4.936 -8.986 1.00 1.33 O ATOM 1966 CG2 THR A 122 -5.313 -4.644 -11.365 1.00 0.73 C ATOM 0 H THR A 122 -4.233 -3.075 -9.057 1.00 0.22 H new ATOM 0 HA THR A 122 -6.387 -2.410 -10.763 1.00 0.26 H new ATOM 0 HB THR A 122 -6.997 -4.905 -10.057 1.00 0.56 H new ATOM 0 HG1 THR A 122 -4.311 -4.981 -9.264 1.00 1.33 H new ATOM 0 HG21 THR A 122 -5.180 -5.714 -11.524 1.00 0.73 H new ATOM 0 HG22 THR A 122 -5.911 -4.228 -12.176 1.00 0.73 H new ATOM 0 HG23 THR A 122 -4.338 -4.156 -11.346 1.00 0.73 H new ATOM 1974 N ILE A 123 -7.311 -3.137 -7.685 1.00 0.44 N ATOM 1975 CA ILE A 123 -8.421 -2.967 -6.696 1.00 0.65 C ATOM 1976 C ILE A 123 -8.929 -1.522 -6.706 1.00 0.68 C ATOM 1977 O ILE A 123 -10.118 -1.271 -6.641 1.00 0.80 O ATOM 1978 CB ILE A 123 -7.900 -3.290 -5.293 1.00 0.98 C ATOM 1979 CG1 ILE A 123 -7.890 -4.804 -5.071 1.00 1.30 C ATOM 1980 CG2 ILE A 123 -8.807 -2.630 -4.255 1.00 1.50 C ATOM 1981 CD1 ILE A 123 -9.268 -5.251 -4.585 1.00 2.13 C ATOM 0 H ILE A 123 -6.495 -3.633 -7.327 1.00 0.44 H new ATOM 0 HA ILE A 123 -9.236 -3.639 -6.966 1.00 0.65 H new ATOM 0 HB ILE A 123 -6.883 -2.910 -5.192 1.00 0.98 H new ATOM 0 HG12 ILE A 123 -7.634 -5.318 -5.998 1.00 1.30 H new ATOM 0 HG13 ILE A 123 -7.129 -5.071 -4.338 1.00 1.30 H new ATOM 0 HG21 ILE A 123 -8.440 -2.857 -3.254 1.00 1.50 H new ATOM 0 HG22 ILE A 123 -8.806 -1.550 -4.405 1.00 1.50 H new ATOM 0 HG23 ILE A 123 -9.822 -3.011 -4.364 1.00 1.50 H new ATOM 0 HD11 ILE A 123 -9.265 -6.329 -4.426 1.00 2.13 H new ATOM 0 HD12 ILE A 123 -9.505 -4.746 -3.648 1.00 2.13 H new ATOM 0 HD13 ILE A 123 -10.018 -4.997 -5.334 1.00 2.13 H new ATOM 1993 N MET A 124 -8.038 -0.572 -6.773 1.00 0.69 N ATOM 1994 CA MET A 124 -8.470 0.858 -6.772 1.00 0.95 C ATOM 1995 C MET A 124 -9.370 1.128 -7.980 1.00 0.85 C ATOM 1996 O MET A 124 -10.467 1.640 -7.851 1.00 0.92 O ATOM 1997 CB MET A 124 -7.250 1.791 -6.838 1.00 1.23 C ATOM 1998 CG MET A 124 -6.150 1.317 -5.884 1.00 1.50 C ATOM 1999 SD MET A 124 -6.868 0.978 -4.257 1.00 1.05 S ATOM 2000 CE MET A 124 -6.150 2.399 -3.397 1.00 0.59 C ATOM 0 H MET A 124 -7.031 -0.721 -6.828 1.00 0.69 H new ATOM 0 HA MET A 124 -9.018 1.051 -5.850 1.00 0.95 H new ATOM 0 HB2 MET A 124 -6.865 1.822 -7.857 1.00 1.23 H new ATOM 0 HB3 MET A 124 -7.549 2.807 -6.579 1.00 1.23 H new ATOM 0 HG2 MET A 124 -5.674 0.419 -6.278 1.00 1.50 H new ATOM 0 HG3 MET A 124 -5.374 2.078 -5.800 1.00 1.50 H new ATOM 0 HE1 MET A 124 -6.108 2.194 -2.327 1.00 0.59 H new ATOM 0 HE2 MET A 124 -5.142 2.580 -3.771 1.00 0.59 H new ATOM 0 HE3 MET A 124 -6.766 3.281 -3.574 1.00 0.59 H new ATOM 2010 N ARG A 125 -8.909 0.799 -9.154 1.00 0.78 N ATOM 2011 CA ARG A 125 -9.721 1.045 -10.384 1.00 0.93 C ATOM 2012 C ARG A 125 -10.833 -0.005 -10.534 1.00 0.83 C ATOM 2013 O ARG A 125 -11.596 0.033 -11.480 1.00 1.51 O ATOM 2014 CB ARG A 125 -8.799 0.966 -11.603 1.00 1.00 C ATOM 2015 CG ARG A 125 -9.319 1.890 -12.707 1.00 1.37 C ATOM 2016 CD ARG A 125 -9.809 1.050 -13.890 1.00 2.52 C ATOM 2017 NE ARG A 125 -10.837 1.815 -14.656 1.00 3.06 N ATOM 2018 CZ ARG A 125 -11.192 1.448 -15.867 1.00 4.06 C ATOM 2019 NH1 ARG A 125 -10.652 0.403 -16.449 1.00 4.64 N ATOM 2020 NH2 ARG A 125 -12.098 2.136 -16.506 1.00 4.73 N ATOM 0 H ARG A 125 -7.999 0.368 -9.318 1.00 0.78 H new ATOM 0 HA ARG A 125 -10.183 2.029 -10.306 1.00 0.93 H new ATOM 0 HB2 ARG A 125 -7.785 1.253 -11.323 1.00 1.00 H new ATOM 0 HB3 ARG A 125 -8.750 -0.060 -11.968 1.00 1.00 H new ATOM 0 HG2 ARG A 125 -10.132 2.508 -12.325 1.00 1.37 H new ATOM 0 HG3 ARG A 125 -8.529 2.567 -13.031 1.00 1.37 H new ATOM 0 HD2 ARG A 125 -8.972 0.795 -14.540 1.00 2.52 H new ATOM 0 HD3 ARG A 125 -10.232 0.111 -13.532 1.00 2.52 H new ATOM 0 HE ARG A 125 -11.271 2.635 -14.233 1.00 3.06 H new ATOM 0 HH11 ARG A 125 -9.942 -0.142 -15.961 1.00 4.64 H new ATOM 0 HH12 ARG A 125 -10.943 0.136 -17.390 1.00 4.64 H new ATOM 0 HH21 ARG A 125 -12.524 2.951 -16.065 1.00 4.73 H new ATOM 0 HH22 ARG A 125 -12.380 1.859 -17.446 1.00 4.73 H new ATOM 2034 N GLU A 126 -10.932 -0.950 -9.636 1.00 0.36 N ATOM 2035 CA GLU A 126 -11.990 -1.993 -9.774 1.00 0.56 C ATOM 2036 C GLU A 126 -13.281 -1.563 -9.062 1.00 0.40 C ATOM 2037 O GLU A 126 -14.339 -1.523 -9.656 1.00 0.42 O ATOM 2038 CB GLU A 126 -11.494 -3.304 -9.161 1.00 1.22 C ATOM 2039 CG GLU A 126 -11.352 -4.361 -10.259 1.00 1.49 C ATOM 2040 CD GLU A 126 -10.241 -3.949 -11.227 1.00 1.68 C ATOM 2041 OE1 GLU A 126 -10.536 -3.220 -12.159 1.00 2.00 O ATOM 2042 OE2 GLU A 126 -9.115 -4.370 -11.020 1.00 2.72 O ATOM 0 H GLU A 126 -10.330 -1.044 -8.818 1.00 0.36 H new ATOM 0 HA GLU A 126 -12.204 -2.128 -10.834 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -10.535 -3.147 -8.667 1.00 1.22 H new ATOM 0 HB3 GLU A 126 -12.193 -3.648 -8.399 1.00 1.22 H new ATOM 0 HG2 GLU A 126 -11.122 -5.330 -9.817 1.00 1.49 H new ATOM 0 HG3 GLU A 126 -12.294 -4.471 -10.796 1.00 1.49 H new ATOM 2049 N LYS A 127 -13.213 -1.274 -7.790 1.00 0.79 N ATOM 2050 CA LYS A 127 -14.450 -0.888 -7.047 1.00 1.24 C ATOM 2051 C LYS A 127 -14.674 0.627 -7.085 1.00 1.42 C ATOM 2052 O LYS A 127 -15.776 1.098 -6.884 1.00 1.74 O ATOM 2053 CB LYS A 127 -14.325 -1.337 -5.589 1.00 1.74 C ATOM 2054 CG LYS A 127 -15.030 -2.681 -5.403 1.00 1.58 C ATOM 2055 CD LYS A 127 -14.270 -3.516 -4.373 1.00 1.30 C ATOM 2056 CE LYS A 127 -14.621 -4.992 -4.556 1.00 0.68 C ATOM 2057 NZ LYS A 127 -14.127 -5.765 -3.381 1.00 1.51 N ATOM 0 H LYS A 127 -12.358 -1.288 -7.234 1.00 0.79 H new ATOM 0 HA LYS A 127 -15.300 -1.375 -7.526 1.00 1.24 H new ATOM 0 HB2 LYS A 127 -13.274 -1.425 -5.314 1.00 1.74 H new ATOM 0 HB3 LYS A 127 -14.765 -0.590 -4.929 1.00 1.74 H new ATOM 0 HG2 LYS A 127 -16.057 -2.523 -5.073 1.00 1.58 H new ATOM 0 HG3 LYS A 127 -15.079 -3.213 -6.353 1.00 1.58 H new ATOM 0 HD2 LYS A 127 -13.196 -3.369 -4.490 1.00 1.30 H new ATOM 0 HD3 LYS A 127 -14.528 -3.192 -3.365 1.00 1.30 H new ATOM 0 HE2 LYS A 127 -15.700 -5.111 -4.657 1.00 0.68 H new ATOM 0 HE3 LYS A 127 -14.171 -5.374 -5.472 1.00 0.68 H new ATOM 0 HZ1 LYS A 127 -14.364 -6.770 -3.502 1.00 1.51 H new ATOM 0 HZ2 LYS A 127 -13.095 -5.659 -3.305 1.00 1.51 H new ATOM 0 HZ3 LYS A 127 -14.577 -5.405 -2.515 1.00 1.51 H new ATOM 2071 N TYR A 128 -13.652 1.404 -7.317 1.00 1.36 N ATOM 2072 CA TYR A 128 -13.846 2.883 -7.333 1.00 1.78 C ATOM 2073 C TYR A 128 -14.156 3.389 -8.746 1.00 2.00 C ATOM 2074 O TYR A 128 -13.869 4.521 -9.081 1.00 2.62 O ATOM 2075 CB TYR A 128 -12.592 3.562 -6.789 1.00 1.61 C ATOM 2076 CG TYR A 128 -12.180 2.862 -5.518 1.00 0.59 C ATOM 2077 CD1 TYR A 128 -13.159 2.405 -4.627 1.00 0.80 C ATOM 2078 CD2 TYR A 128 -10.826 2.656 -5.238 1.00 0.85 C ATOM 2079 CE1 TYR A 128 -12.782 1.744 -3.454 1.00 1.38 C ATOM 2080 CE2 TYR A 128 -10.449 1.992 -4.064 1.00 0.91 C ATOM 2081 CZ TYR A 128 -11.427 1.536 -3.172 1.00 1.32 C ATOM 2082 OH TYR A 128 -11.053 0.883 -2.016 1.00 2.25 O ATOM 0 H TYR A 128 -12.700 1.084 -7.495 1.00 1.36 H new ATOM 0 HA TYR A 128 -14.699 3.129 -6.701 1.00 1.78 H new ATOM 0 HB2 TYR A 128 -11.788 3.517 -7.524 1.00 1.61 H new ATOM 0 HB3 TYR A 128 -12.787 4.617 -6.594 1.00 1.61 H new ATOM 0 HD1 TYR A 128 -14.205 2.563 -4.846 1.00 0.80 H new ATOM 0 HD2 TYR A 128 -10.072 3.008 -5.926 1.00 0.85 H new ATOM 0 HE1 TYR A 128 -13.537 1.394 -2.765 1.00 1.38 H new ATOM 0 HE2 TYR A 128 -9.403 1.832 -3.847 1.00 0.91 H new ATOM 0 HH TYR A 128 -10.082 0.948 -1.903 1.00 2.25 H new ATOM 2092 N SER A 129 -14.756 2.577 -9.571 1.00 1.68 N ATOM 2093 CA SER A 129 -15.098 3.038 -10.945 1.00 2.00 C ATOM 2094 C SER A 129 -16.509 3.643 -10.942 1.00 2.40 C ATOM 2095 O SER A 129 -16.859 4.426 -11.803 1.00 2.74 O ATOM 2096 CB SER A 129 -15.046 1.857 -11.915 1.00 1.66 C ATOM 2097 OG SER A 129 -15.079 2.344 -13.250 1.00 2.25 O ATOM 0 H SER A 129 -15.024 1.617 -9.354 1.00 1.68 H new ATOM 0 HA SER A 129 -14.379 3.793 -11.264 1.00 2.00 H new ATOM 0 HB2 SER A 129 -14.139 1.276 -11.750 1.00 1.66 H new ATOM 0 HB3 SER A 129 -15.889 1.189 -11.738 1.00 1.66 H new ATOM 0 HG SER A 129 -15.044 1.589 -13.874 1.00 2.25 H new ATOM 2103 N LYS A 130 -17.325 3.284 -9.980 1.00 2.49 N ATOM 2104 CA LYS A 130 -18.706 3.839 -9.927 1.00 3.02 C ATOM 2105 C LYS A 130 -18.864 4.730 -8.692 1.00 3.32 C ATOM 2106 O LYS A 130 -19.957 4.928 -8.198 1.00 3.72 O ATOM 2107 CB LYS A 130 -19.713 2.691 -9.851 1.00 3.11 C ATOM 2108 CG LYS A 130 -20.901 2.991 -10.766 1.00 3.86 C ATOM 2109 CD LYS A 130 -20.489 2.776 -12.223 1.00 4.89 C ATOM 2110 CE LYS A 130 -21.040 3.916 -13.083 1.00 6.62 C ATOM 2111 NZ LYS A 130 -20.256 4.005 -14.347 1.00 7.48 N ATOM 0 H LYS A 130 -17.091 2.631 -9.232 1.00 2.49 H new ATOM 0 HA LYS A 130 -18.887 4.431 -10.824 1.00 3.02 H new ATOM 0 HB2 LYS A 130 -19.238 1.756 -10.149 1.00 3.11 H new ATOM 0 HB3 LYS A 130 -20.055 2.561 -8.824 1.00 3.11 H new ATOM 0 HG2 LYS A 130 -21.740 2.342 -10.515 1.00 3.86 H new ATOM 0 HG3 LYS A 130 -21.237 4.018 -10.619 1.00 3.86 H new ATOM 0 HD2 LYS A 130 -19.403 2.738 -12.303 1.00 4.89 H new ATOM 0 HD3 LYS A 130 -20.868 1.819 -12.582 1.00 4.89 H new ATOM 0 HE2 LYS A 130 -22.093 3.742 -13.306 1.00 6.62 H new ATOM 0 HE3 LYS A 130 -20.981 4.858 -12.538 1.00 6.62 H new ATOM 0 HZ1 LYS A 130 -20.629 4.779 -14.933 1.00 7.48 H new ATOM 0 HZ2 LYS A 130 -19.257 4.190 -14.124 1.00 7.48 H new ATOM 0 HZ3 LYS A 130 -20.334 3.108 -14.868 1.00 7.48 H new ATOM 2125 N CYS A 131 -17.790 5.273 -8.187 1.00 3.24 N ATOM 2126 CA CYS A 131 -17.897 6.151 -6.987 1.00 3.58 C ATOM 2127 C CYS A 131 -17.562 7.594 -7.378 1.00 4.61 C ATOM 2128 O CYS A 131 -18.010 8.535 -6.754 1.00 5.32 O ATOM 2129 CB CYS A 131 -16.922 5.674 -5.906 1.00 2.66 C ATOM 2130 SG CYS A 131 -17.649 5.972 -4.275 1.00 2.47 S ATOM 0 H CYS A 131 -16.846 5.147 -8.552 1.00 3.24 H new ATOM 0 HA CYS A 131 -18.914 6.105 -6.598 1.00 3.58 H new ATOM 0 HB2 CYS A 131 -16.709 4.613 -6.034 1.00 2.66 H new ATOM 0 HB3 CYS A 131 -15.973 6.203 -5.996 1.00 2.66 H new ATOM 2135 N SER A 132 -16.777 7.778 -8.407 1.00 4.89 N ATOM 2136 CA SER A 132 -16.421 9.158 -8.834 1.00 6.11 C ATOM 2137 C SER A 132 -17.278 9.557 -10.039 1.00 6.62 C ATOM 2138 O SER A 132 -17.878 8.723 -10.688 1.00 6.01 O ATOM 2139 CB SER A 132 -14.942 9.203 -9.220 1.00 6.55 C ATOM 2140 OG SER A 132 -14.813 9.748 -10.526 1.00 7.31 O ATOM 0 H SER A 132 -16.368 7.031 -8.968 1.00 4.89 H new ATOM 0 HA SER A 132 -16.604 9.853 -8.014 1.00 6.11 H new ATOM 0 HB2 SER A 132 -14.386 9.809 -8.504 1.00 6.55 H new ATOM 0 HB3 SER A 132 -14.516 8.200 -9.188 1.00 6.55 H new ATOM 0 HG SER A 132 -13.866 9.779 -10.775 1.00 7.31 H new ATOM 2146 N SER A 133 -17.341 10.825 -10.341 1.00 7.82 N ATOM 2147 CA SER A 133 -18.161 11.275 -11.502 1.00 8.42 C ATOM 2148 C SER A 133 -17.237 11.639 -12.665 1.00 9.55 C ATOM 2149 O SER A 133 -17.503 11.195 -13.769 1.00 9.77 O ATOM 2150 CB SER A 133 -18.983 12.502 -11.103 1.00 9.29 C ATOM 2151 OG SER A 133 -19.532 13.100 -12.271 1.00 10.31 O ATOM 2152 OXT SER A 133 -16.279 12.356 -12.431 1.00 10.30 O ATOM 0 H SER A 133 -16.861 11.569 -9.834 1.00 7.82 H new ATOM 0 HA SER A 133 -18.832 10.472 -11.806 1.00 8.42 H new ATOM 0 HB2 SER A 133 -19.781 12.213 -10.419 1.00 9.29 H new ATOM 0 HB3 SER A 133 -18.355 13.219 -10.574 1.00 9.29 H new ATOM 0 HG SER A 133 -20.060 13.886 -12.019 1.00 10.31 H new TER 2158 SER A 133