USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=39 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 128 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 132 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 19 ASN : amide:sc=-0.000134 K(o=-0.00013,f=-1.5!) USER MOD Set 2.2: A 121 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Set 3.1: A 43 THR OG1 : rot -9:sc= 0.563! USER MOD Set 3.2: A 48 THR OG1 : rot 77:sc= 0.91 USER MOD Set 4.1: A 32 THR OG1 : rot 148:sc= 0.144 USER MOD Set 4.2: A 110 GLN : amide:sc= 0.129 K(o=0.27,f=-1) USER MOD Single : A 1 GLU N :NH3+ -123:sc= -0.0605 (180deg=-0.898) USER MOD Single : A 5 HIS : no HE2:sc= -0.968 K(o=-0.97,f=-4.2!) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.282 (180deg=-1.03) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0071 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc=-0.00954 (180deg=-0.088) USER MOD Single : A 17 THR OG1 : rot 65:sc= -0.671! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -33:sc= 0.615 USER MOD Single : A 24 GLN : amide:sc= -1.14 K(o=-1.1,f=-1.6!) USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= -0.106 (180deg=-0.493) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -103:sc= 1.24 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 62:sc= 1.12 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.376 (180deg=-1.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00521 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 109:sc= 0.898 USER MOD Single : A 61 SER OG : rot 80:sc= 0.91 USER MOD Single : A 62 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-5.7!) USER MOD Single : A 63 HIS : no HD1:sc= -3.28! K(o=-3.3!,f=-1.6) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= 0.0296 (180deg=0.00356) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 75 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.6!) USER MOD Single : A 76 GLN : amide:sc= -0.907 K(o=-0.91,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.775 K(o=-0.78,f=-0.14) USER MOD Single : A 81 LYS NZ :NH3+ 133:sc= -0.122! (180deg=-1.94!) USER MOD Single : A 82 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.042) USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= 0.0249 (180deg=-0.318) USER MOD Single : A 93 ASN : amide:sc= -0.683 K(o=-0.68,f=-6.2!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 159:sc= -0.036 (180deg=-0.474) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0419 USER MOD Single : A 115 ASN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 122 THR OG1 : rot 80:sc= 0.318 USER MOD Single : A 124 MET CE :methyl 173:sc= -0.253 (180deg=-0.39) USER MOD Single : A 127 LYS NZ :NH3+ -171:sc= -0.188 (180deg=-0.419) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -104:sc= 0.938 (180deg=-0.966) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -30.277 17.185 6.047 1.00 3.04 N ATOM 2 CA GLU A 1 -29.881 16.305 4.911 1.00 1.90 C ATOM 3 C GLU A 1 -29.280 15.008 5.456 1.00 1.29 C ATOM 4 O GLU A 1 -29.419 14.690 6.621 1.00 1.67 O ATOM 5 CB GLU A 1 -28.844 17.024 4.047 1.00 2.19 C ATOM 6 CG GLU A 1 -27.550 17.203 4.843 1.00 2.75 C ATOM 7 CD GLU A 1 -26.727 18.337 4.230 1.00 3.85 C ATOM 8 OE1 GLU A 1 -27.042 18.742 3.124 1.00 4.00 O ATOM 9 OE2 GLU A 1 -25.794 18.782 4.879 1.00 4.78 O ATOM 0 H1 GLU A 1 -31.288 17.415 5.972 1.00 3.04 H new ATOM 0 H2 GLU A 1 -30.100 16.693 6.946 1.00 3.04 H new ATOM 0 H3 GLU A 1 -29.719 18.062 6.017 1.00 3.04 H new ATOM 0 HA GLU A 1 -30.759 16.073 4.308 1.00 1.90 H new ATOM 0 HB2 GLU A 1 -28.649 16.450 3.141 1.00 2.19 H new ATOM 0 HB3 GLU A 1 -29.227 17.995 3.733 1.00 2.19 H new ATOM 0 HG2 GLU A 1 -27.779 17.428 5.885 1.00 2.75 H new ATOM 0 HG3 GLU A 1 -26.975 16.277 4.836 1.00 2.75 H new ATOM 18 N ALA A 2 -28.612 14.257 4.624 1.00 1.01 N ATOM 19 CA ALA A 2 -28.003 12.982 5.096 1.00 1.46 C ATOM 20 C ALA A 2 -26.677 13.279 5.799 1.00 2.76 C ATOM 21 O ALA A 2 -25.621 13.241 5.199 1.00 3.29 O ATOM 22 CB ALA A 2 -27.749 12.064 3.898 1.00 1.89 C ATOM 0 H ALA A 2 -28.462 14.471 3.638 1.00 1.01 H new ATOM 0 HA ALA A 2 -28.682 12.492 5.793 1.00 1.46 H new ATOM 0 HB1 ALA A 2 -27.303 11.131 4.243 1.00 1.89 H new ATOM 0 HB2 ALA A 2 -28.693 11.852 3.396 1.00 1.89 H new ATOM 0 HB3 ALA A 2 -27.070 12.555 3.201 1.00 1.89 H new ATOM 28 N GLU A 3 -26.723 13.577 7.069 1.00 3.63 N ATOM 29 CA GLU A 3 -25.465 13.878 7.809 1.00 5.06 C ATOM 30 C GLU A 3 -24.467 12.737 7.604 1.00 5.28 C ATOM 31 O GLU A 3 -23.270 12.922 7.695 1.00 6.18 O ATOM 32 CB GLU A 3 -25.774 14.022 9.301 1.00 5.98 C ATOM 33 CG GLU A 3 -24.490 13.829 10.110 1.00 7.02 C ATOM 34 CD GLU A 3 -24.654 14.466 11.491 1.00 8.10 C ATOM 35 OE1 GLU A 3 -25.505 14.006 12.235 1.00 8.43 O ATOM 36 OE2 GLU A 3 -23.929 15.402 11.781 1.00 8.74 O ATOM 0 H GLU A 3 -27.577 13.625 7.625 1.00 3.63 H new ATOM 0 HA GLU A 3 -25.036 14.807 7.434 1.00 5.06 H new ATOM 0 HB2 GLU A 3 -26.198 15.006 9.502 1.00 5.98 H new ATOM 0 HB3 GLU A 3 -26.520 13.286 9.601 1.00 5.98 H new ATOM 0 HG2 GLU A 3 -24.269 12.767 10.212 1.00 7.02 H new ATOM 0 HG3 GLU A 3 -23.647 14.281 9.587 1.00 7.02 H new ATOM 43 N ALA A 4 -24.950 11.556 7.327 1.00 4.74 N ATOM 44 CA ALA A 4 -24.028 10.405 7.116 1.00 5.06 C ATOM 45 C ALA A 4 -23.604 10.354 5.646 1.00 4.33 C ATOM 46 O ALA A 4 -24.095 11.101 4.823 1.00 4.36 O ATOM 47 CB ALA A 4 -24.744 9.103 7.485 1.00 5.34 C ATOM 0 H ALA A 4 -25.943 11.339 7.238 1.00 4.74 H new ATOM 0 HA ALA A 4 -23.146 10.526 7.745 1.00 5.06 H new ATOM 0 HB1 ALA A 4 -24.070 8.261 7.331 1.00 5.34 H new ATOM 0 HB2 ALA A 4 -25.047 9.138 8.531 1.00 5.34 H new ATOM 0 HB3 ALA A 4 -25.626 8.982 6.856 1.00 5.34 H new ATOM 53 N HIS A 5 -22.694 9.478 5.313 1.00 4.27 N ATOM 54 CA HIS A 5 -22.236 9.377 3.898 1.00 3.55 C ATOM 55 C HIS A 5 -21.932 7.915 3.564 1.00 2.28 C ATOM 56 O HIS A 5 -20.887 7.396 3.902 1.00 2.80 O ATOM 57 CB HIS A 5 -20.971 10.216 3.715 1.00 4.51 C ATOM 58 CG HIS A 5 -19.897 9.715 4.641 1.00 6.12 C ATOM 59 ND1 HIS A 5 -18.681 9.242 4.175 1.00 6.53 N ATOM 60 CD2 HIS A 5 -19.842 9.606 6.008 1.00 7.78 C ATOM 61 CE1 HIS A 5 -17.951 8.874 5.244 1.00 8.38 C ATOM 62 NE2 HIS A 5 -18.613 9.075 6.388 1.00 9.14 N ATOM 0 H HIS A 5 -22.248 8.828 5.960 1.00 4.27 H new ATOM 0 HA HIS A 5 -23.017 9.745 3.233 1.00 3.55 H new ATOM 0 HB2 HIS A 5 -20.630 10.158 2.681 1.00 4.51 H new ATOM 0 HB3 HIS A 5 -21.184 11.265 3.922 1.00 4.51 H new ATOM 0 HD1 HIS A 5 -18.392 9.183 3.199 1.00 6.53 H new ATOM 0 HD2 HIS A 5 -20.633 9.890 6.686 1.00 7.78 H new ATOM 0 HE1 HIS A 5 -16.953 8.466 5.185 1.00 8.38 H new ATOM 70 N LYS A 6 -22.839 7.248 2.904 1.00 1.08 N ATOM 71 CA LYS A 6 -22.602 5.820 2.549 1.00 0.65 C ATOM 72 C LYS A 6 -21.306 5.703 1.744 1.00 0.62 C ATOM 73 O LYS A 6 -20.651 4.678 1.751 1.00 1.05 O ATOM 74 CB LYS A 6 -23.772 5.303 1.710 1.00 1.62 C ATOM 75 CG LYS A 6 -23.525 3.840 1.336 1.00 2.83 C ATOM 76 CD LYS A 6 -24.864 3.141 1.093 1.00 3.53 C ATOM 77 CE LYS A 6 -25.620 3.860 -0.026 1.00 5.13 C ATOM 78 NZ LYS A 6 -24.720 4.032 -1.201 1.00 6.56 N ATOM 0 H LYS A 6 -23.733 7.630 2.595 1.00 1.08 H new ATOM 0 HA LYS A 6 -22.518 5.228 3.460 1.00 0.65 H new ATOM 0 HB2 LYS A 6 -24.703 5.394 2.270 1.00 1.62 H new ATOM 0 HB3 LYS A 6 -23.882 5.906 0.809 1.00 1.62 H new ATOM 0 HG2 LYS A 6 -22.905 3.782 0.441 1.00 2.83 H new ATOM 0 HG3 LYS A 6 -22.980 3.337 2.135 1.00 2.83 H new ATOM 0 HD2 LYS A 6 -24.698 2.098 0.822 1.00 3.53 H new ATOM 0 HD3 LYS A 6 -25.458 3.142 2.007 1.00 3.53 H new ATOM 0 HE2 LYS A 6 -26.502 3.286 -0.311 1.00 5.13 H new ATOM 0 HE3 LYS A 6 -25.970 4.831 0.323 1.00 5.13 H new ATOM 0 HZ1 LYS A 6 -25.291 4.181 -2.057 1.00 6.56 H new ATOM 0 HZ2 LYS A 6 -24.103 4.856 -1.048 1.00 6.56 H new ATOM 0 HZ3 LYS A 6 -24.136 3.179 -1.319 1.00 6.56 H new ATOM 92 N CYS A 7 -20.929 6.742 1.052 1.00 0.25 N ATOM 93 CA CYS A 7 -19.675 6.688 0.247 1.00 0.30 C ATOM 94 C CYS A 7 -18.471 6.899 1.167 1.00 0.31 C ATOM 95 O CYS A 7 -18.384 7.880 1.878 1.00 0.35 O ATOM 96 CB CYS A 7 -19.704 7.786 -0.817 1.00 0.29 C ATOM 97 SG CYS A 7 -21.359 7.881 -1.542 1.00 0.60 S ATOM 0 H CYS A 7 -21.435 7.627 1.009 1.00 0.25 H new ATOM 0 HA CYS A 7 -19.595 5.715 -0.239 1.00 0.30 H new ATOM 0 HB2 CYS A 7 -19.434 8.744 -0.373 1.00 0.29 H new ATOM 0 HB3 CYS A 7 -18.967 7.575 -1.592 1.00 0.29 H new ATOM 102 N ASP A 8 -17.539 5.985 1.159 1.00 0.30 N ATOM 103 CA ASP A 8 -16.341 6.134 2.032 1.00 0.34 C ATOM 104 C ASP A 8 -15.369 7.130 1.398 1.00 0.34 C ATOM 105 O ASP A 8 -14.862 6.914 0.314 1.00 0.46 O ATOM 106 CB ASP A 8 -15.652 4.776 2.188 1.00 0.39 C ATOM 107 CG ASP A 8 -15.594 4.400 3.670 1.00 0.72 C ATOM 108 OD1 ASP A 8 -15.258 5.260 4.467 1.00 0.46 O ATOM 109 OD2 ASP A 8 -15.888 3.258 3.982 1.00 2.09 O ATOM 0 H ASP A 8 -17.556 5.142 0.585 1.00 0.30 H new ATOM 0 HA ASP A 8 -16.648 6.500 3.012 1.00 0.34 H new ATOM 0 HB2 ASP A 8 -16.196 4.014 1.630 1.00 0.39 H new ATOM 0 HB3 ASP A 8 -14.645 4.817 1.773 1.00 0.39 H new ATOM 114 N ILE A 9 -15.103 8.220 2.064 1.00 0.25 N ATOM 115 CA ILE A 9 -14.164 9.228 1.498 1.00 0.23 C ATOM 116 C ILE A 9 -12.728 8.711 1.616 1.00 0.23 C ATOM 117 O ILE A 9 -11.835 9.166 0.928 1.00 0.21 O ATOM 118 CB ILE A 9 -14.298 10.541 2.271 1.00 0.22 C ATOM 119 CG1 ILE A 9 -13.730 11.688 1.430 1.00 0.44 C ATOM 120 CG2 ILE A 9 -13.522 10.442 3.585 1.00 0.61 C ATOM 121 CD1 ILE A 9 -13.897 13.007 2.187 1.00 0.13 C ATOM 0 H ILE A 9 -15.495 8.456 2.975 1.00 0.25 H new ATOM 0 HA ILE A 9 -14.404 9.398 0.448 1.00 0.23 H new ATOM 0 HB ILE A 9 -15.350 10.731 2.484 1.00 0.22 H new ATOM 0 HG12 ILE A 9 -12.676 11.510 1.217 1.00 0.44 H new ATOM 0 HG13 ILE A 9 -14.245 11.739 0.471 1.00 0.44 H new ATOM 0 HG21 ILE A 9 -13.618 11.378 4.136 1.00 0.61 H new ATOM 0 HG22 ILE A 9 -13.924 9.626 4.185 1.00 0.61 H new ATOM 0 HG23 ILE A 9 -12.470 10.252 3.373 1.00 0.61 H new ATOM 0 HD11 ILE A 9 -13.493 13.824 1.589 1.00 0.13 H new ATOM 0 HD12 ILE A 9 -14.955 13.186 2.377 1.00 0.13 H new ATOM 0 HD13 ILE A 9 -13.362 12.953 3.135 1.00 0.13 H new ATOM 133 N THR A 10 -12.500 7.762 2.482 1.00 0.25 N ATOM 134 CA THR A 10 -11.122 7.217 2.643 1.00 0.25 C ATOM 135 C THR A 10 -10.675 6.568 1.332 1.00 0.26 C ATOM 136 O THR A 10 -9.696 6.966 0.733 1.00 0.30 O ATOM 137 CB THR A 10 -11.114 6.170 3.760 1.00 0.27 C ATOM 138 OG1 THR A 10 -11.941 6.612 4.827 1.00 0.29 O ATOM 139 CG2 THR A 10 -9.686 5.971 4.266 1.00 0.25 C ATOM 0 H THR A 10 -13.207 7.341 3.084 1.00 0.25 H new ATOM 0 HA THR A 10 -10.439 8.026 2.900 1.00 0.25 H new ATOM 0 HB THR A 10 -11.494 5.224 3.374 1.00 0.27 H new ATOM 0 HG1 THR A 10 -11.938 5.942 5.542 1.00 0.29 H new ATOM 0 HG21 THR A 10 -9.682 5.225 5.061 1.00 0.25 H new ATOM 0 HG22 THR A 10 -9.054 5.630 3.446 1.00 0.25 H new ATOM 0 HG23 THR A 10 -9.302 6.915 4.652 1.00 0.25 H new ATOM 147 N LEU A 11 -11.385 5.571 0.879 1.00 0.36 N ATOM 148 CA LEU A 11 -10.998 4.900 -0.394 1.00 0.36 C ATOM 149 C LEU A 11 -10.748 5.960 -1.469 1.00 0.32 C ATOM 150 O LEU A 11 -10.136 5.696 -2.485 1.00 0.30 O ATOM 151 CB LEU A 11 -12.129 3.971 -0.851 1.00 0.41 C ATOM 152 CG LEU A 11 -12.448 2.948 0.249 1.00 0.45 C ATOM 153 CD1 LEU A 11 -13.853 2.385 0.020 1.00 0.20 C ATOM 154 CD2 LEU A 11 -11.436 1.796 0.210 1.00 0.62 C ATOM 0 H LEU A 11 -12.215 5.193 1.335 1.00 0.36 H new ATOM 0 HA LEU A 11 -10.091 4.316 -0.235 1.00 0.36 H new ATOM 0 HB2 LEU A 11 -13.019 4.556 -1.084 1.00 0.41 H new ATOM 0 HB3 LEU A 11 -11.839 3.454 -1.766 1.00 0.41 H new ATOM 0 HG LEU A 11 -12.393 3.441 1.220 1.00 0.45 H new ATOM 0 HD11 LEU A 11 -14.085 1.658 0.798 1.00 0.20 H new ATOM 0 HD12 LEU A 11 -14.580 3.196 0.053 1.00 0.20 H new ATOM 0 HD13 LEU A 11 -13.896 1.899 -0.955 1.00 0.20 H new ATOM 0 HD21 LEU A 11 -11.673 1.077 0.995 1.00 0.62 H new ATOM 0 HD22 LEU A 11 -11.484 1.303 -0.761 1.00 0.62 H new ATOM 0 HD23 LEU A 11 -10.432 2.189 0.368 1.00 0.62 H new ATOM 166 N GLN A 12 -11.217 7.159 -1.252 1.00 0.32 N ATOM 167 CA GLN A 12 -11.007 8.234 -2.262 1.00 0.28 C ATOM 168 C GLN A 12 -9.588 8.791 -2.129 1.00 0.31 C ATOM 169 O GLN A 12 -8.752 8.596 -2.990 1.00 0.31 O ATOM 170 CB GLN A 12 -12.020 9.357 -2.029 1.00 0.28 C ATOM 171 CG GLN A 12 -12.221 10.141 -3.328 1.00 0.27 C ATOM 172 CD GLN A 12 -13.195 11.295 -3.081 1.00 0.26 C ATOM 173 OE1 GLN A 12 -14.393 11.098 -3.048 1.00 1.32 O ATOM 174 NE2 GLN A 12 -12.727 12.501 -2.908 1.00 0.99 N ATOM 0 H GLN A 12 -11.736 7.440 -0.420 1.00 0.32 H new ATOM 0 HA GLN A 12 -11.143 7.823 -3.263 1.00 0.28 H new ATOM 0 HB2 GLN A 12 -12.969 8.941 -1.692 1.00 0.28 H new ATOM 0 HB3 GLN A 12 -11.667 10.022 -1.241 1.00 0.28 H new ATOM 0 HG2 GLN A 12 -11.266 10.527 -3.684 1.00 0.27 H new ATOM 0 HG3 GLN A 12 -12.609 9.484 -4.106 1.00 0.27 H new ATOM 0 HE21 GLN A 12 -11.721 12.666 -2.936 1.00 0.99 H new ATOM 0 HE22 GLN A 12 -13.367 13.278 -2.745 1.00 0.99 H new ATOM 183 N GLU A 13 -9.309 9.483 -1.059 1.00 0.33 N ATOM 184 CA GLU A 13 -7.943 10.051 -0.876 1.00 0.36 C ATOM 185 C GLU A 13 -6.905 8.934 -1.008 1.00 0.35 C ATOM 186 O GLU A 13 -5.759 9.175 -1.332 1.00 0.37 O ATOM 187 CB GLU A 13 -7.836 10.689 0.512 1.00 0.38 C ATOM 188 CG GLU A 13 -7.674 9.596 1.570 1.00 0.37 C ATOM 189 CD GLU A 13 -6.189 9.280 1.758 1.00 1.66 C ATOM 190 OE1 GLU A 13 -5.441 10.198 2.052 1.00 2.20 O ATOM 191 OE2 GLU A 13 -5.825 8.126 1.603 1.00 2.50 O ATOM 0 H GLU A 13 -9.966 9.680 -0.304 1.00 0.33 H new ATOM 0 HA GLU A 13 -7.759 10.809 -1.637 1.00 0.36 H new ATOM 0 HB2 GLU A 13 -6.986 11.370 0.545 1.00 0.38 H new ATOM 0 HB3 GLU A 13 -8.727 11.281 0.720 1.00 0.38 H new ATOM 0 HG2 GLU A 13 -8.109 9.923 2.515 1.00 0.37 H new ATOM 0 HG3 GLU A 13 -8.212 8.698 1.265 1.00 0.37 H new ATOM 198 N ILE A 14 -7.298 7.714 -0.762 1.00 0.33 N ATOM 199 CA ILE A 14 -6.334 6.584 -0.875 1.00 0.32 C ATOM 200 C ILE A 14 -5.988 6.356 -2.348 1.00 0.33 C ATOM 201 O ILE A 14 -4.838 6.389 -2.738 1.00 0.35 O ATOM 202 CB ILE A 14 -6.964 5.316 -0.296 1.00 0.29 C ATOM 203 CG1 ILE A 14 -7.020 5.427 1.229 1.00 0.15 C ATOM 204 CG2 ILE A 14 -6.120 4.102 -0.688 1.00 0.35 C ATOM 205 CD1 ILE A 14 -7.918 4.324 1.789 1.00 0.14 C ATOM 0 H ILE A 14 -8.245 7.451 -0.488 1.00 0.33 H new ATOM 0 HA ILE A 14 -5.426 6.823 -0.321 1.00 0.32 H new ATOM 0 HB ILE A 14 -7.973 5.199 -0.690 1.00 0.29 H new ATOM 0 HG12 ILE A 14 -6.017 5.341 1.647 1.00 0.15 H new ATOM 0 HG13 ILE A 14 -7.404 6.405 1.519 1.00 0.15 H new ATOM 0 HG21 ILE A 14 -6.569 3.198 -0.275 1.00 0.35 H new ATOM 0 HG22 ILE A 14 -6.079 4.023 -1.774 1.00 0.35 H new ATOM 0 HG23 ILE A 14 -5.110 4.218 -0.294 1.00 0.35 H new ATOM 0 HD11 ILE A 14 -7.958 4.404 2.875 1.00 0.14 H new ATOM 0 HD12 ILE A 14 -8.923 4.431 1.381 1.00 0.14 H new ATOM 0 HD13 ILE A 14 -7.515 3.350 1.511 1.00 0.14 H new ATOM 217 N ILE A 15 -6.975 6.126 -3.170 1.00 0.32 N ATOM 218 CA ILE A 15 -6.702 5.897 -4.617 1.00 0.33 C ATOM 219 C ILE A 15 -5.779 7.000 -5.140 1.00 0.39 C ATOM 220 O ILE A 15 -4.760 6.735 -5.746 1.00 0.44 O ATOM 221 CB ILE A 15 -8.017 5.921 -5.396 1.00 0.30 C ATOM 222 CG1 ILE A 15 -8.772 4.611 -5.161 1.00 0.31 C ATOM 223 CG2 ILE A 15 -7.725 6.080 -6.889 1.00 0.28 C ATOM 224 CD1 ILE A 15 -10.240 4.790 -5.549 1.00 0.25 C ATOM 0 H ILE A 15 -7.958 6.087 -2.902 1.00 0.32 H new ATOM 0 HA ILE A 15 -6.222 4.927 -4.747 1.00 0.33 H new ATOM 0 HB ILE A 15 -8.625 6.759 -5.055 1.00 0.30 H new ATOM 0 HG12 ILE A 15 -8.324 3.811 -5.750 1.00 0.31 H new ATOM 0 HG13 ILE A 15 -8.695 4.318 -4.114 1.00 0.31 H new ATOM 0 HG21 ILE A 15 -8.663 6.097 -7.443 1.00 0.28 H new ATOM 0 HG22 ILE A 15 -7.187 7.013 -7.057 1.00 0.28 H new ATOM 0 HG23 ILE A 15 -7.116 5.243 -7.232 1.00 0.28 H new ATOM 0 HD11 ILE A 15 -10.777 3.856 -5.381 1.00 0.25 H new ATOM 0 HD12 ILE A 15 -10.684 5.578 -4.941 1.00 0.25 H new ATOM 0 HD13 ILE A 15 -10.307 5.063 -6.602 1.00 0.25 H new ATOM 236 N LYS A 16 -6.128 8.237 -4.912 1.00 0.41 N ATOM 237 CA LYS A 16 -5.271 9.354 -5.396 1.00 0.47 C ATOM 238 C LYS A 16 -3.833 9.137 -4.917 1.00 0.52 C ATOM 239 O LYS A 16 -2.888 9.341 -5.652 1.00 0.57 O ATOM 240 CB LYS A 16 -5.798 10.679 -4.841 1.00 0.50 C ATOM 241 CG LYS A 16 -6.767 11.304 -5.847 1.00 0.47 C ATOM 242 CD LYS A 16 -7.550 12.431 -5.171 1.00 0.15 C ATOM 243 CE LYS A 16 -8.960 11.945 -4.836 1.00 1.11 C ATOM 244 NZ LYS A 16 -9.774 11.887 -6.084 1.00 2.33 N ATOM 0 H LYS A 16 -6.970 8.521 -4.411 1.00 0.41 H new ATOM 0 HA LYS A 16 -5.292 9.382 -6.485 1.00 0.47 H new ATOM 0 HB2 LYS A 16 -6.303 10.512 -3.889 1.00 0.50 H new ATOM 0 HB3 LYS A 16 -4.969 11.360 -4.647 1.00 0.50 H new ATOM 0 HG2 LYS A 16 -6.217 11.693 -6.704 1.00 0.47 H new ATOM 0 HG3 LYS A 16 -7.453 10.546 -6.225 1.00 0.47 H new ATOM 0 HD2 LYS A 16 -7.038 12.749 -4.263 1.00 0.15 H new ATOM 0 HD3 LYS A 16 -7.600 13.299 -5.829 1.00 0.15 H new ATOM 0 HE2 LYS A 16 -8.916 10.960 -4.371 1.00 1.11 H new ATOM 0 HE3 LYS A 16 -9.426 12.617 -4.115 1.00 1.11 H new ATOM 0 HZ1 LYS A 16 -10.785 11.876 -5.839 1.00 2.33 H new ATOM 0 HZ2 LYS A 16 -9.569 12.721 -6.671 1.00 2.33 H new ATOM 0 HZ3 LYS A 16 -9.536 11.024 -6.614 1.00 2.33 H new ATOM 258 N THR A 17 -3.664 8.722 -3.691 1.00 0.50 N ATOM 259 CA THR A 17 -2.287 8.491 -3.168 1.00 0.56 C ATOM 260 C THR A 17 -1.566 7.479 -4.061 1.00 0.55 C ATOM 261 O THR A 17 -0.431 7.675 -4.446 1.00 0.57 O ATOM 262 CB THR A 17 -2.370 7.945 -1.741 1.00 0.59 C ATOM 263 OG1 THR A 17 -3.491 8.516 -1.081 1.00 0.78 O ATOM 264 CG2 THR A 17 -1.092 8.302 -0.980 1.00 0.24 C ATOM 0 H THR A 17 -4.418 8.533 -3.030 1.00 0.50 H new ATOM 0 HA THR A 17 -1.735 9.431 -3.166 1.00 0.56 H new ATOM 0 HB THR A 17 -2.480 6.861 -1.773 1.00 0.59 H new ATOM 0 HG1 THR A 17 -4.315 8.220 -1.521 1.00 0.78 H new ATOM 0 HG21 THR A 17 -1.153 7.912 0.036 1.00 0.24 H new ATOM 0 HG22 THR A 17 -0.232 7.863 -1.486 1.00 0.24 H new ATOM 0 HG23 THR A 17 -0.979 9.386 -0.947 1.00 0.24 H new ATOM 272 N LEU A 18 -2.217 6.398 -4.392 1.00 0.52 N ATOM 273 CA LEU A 18 -1.568 5.376 -5.261 1.00 0.52 C ATOM 274 C LEU A 18 -1.047 6.046 -6.533 1.00 0.50 C ATOM 275 O LEU A 18 0.058 5.794 -6.971 1.00 0.50 O ATOM 276 CB LEU A 18 -2.590 4.299 -5.634 1.00 0.49 C ATOM 277 CG LEU A 18 -3.269 3.775 -4.367 1.00 0.38 C ATOM 278 CD1 LEU A 18 -4.265 2.675 -4.738 1.00 0.46 C ATOM 279 CD2 LEU A 18 -2.210 3.204 -3.421 1.00 0.23 C ATOM 0 H LEU A 18 -3.169 6.178 -4.099 1.00 0.52 H new ATOM 0 HA LEU A 18 -0.737 4.918 -4.724 1.00 0.52 H new ATOM 0 HB2 LEU A 18 -3.335 4.711 -6.314 1.00 0.49 H new ATOM 0 HB3 LEU A 18 -2.096 3.481 -6.159 1.00 0.49 H new ATOM 0 HG LEU A 18 -3.797 4.592 -3.874 1.00 0.38 H new ATOM 0 HD11 LEU A 18 -4.748 2.302 -3.835 1.00 0.46 H new ATOM 0 HD12 LEU A 18 -5.019 3.080 -5.413 1.00 0.46 H new ATOM 0 HD13 LEU A 18 -3.738 1.858 -5.231 1.00 0.46 H new ATOM 0 HD21 LEU A 18 -2.692 2.830 -2.518 1.00 0.23 H new ATOM 0 HD22 LEU A 18 -1.683 2.388 -3.915 1.00 0.23 H new ATOM 0 HD23 LEU A 18 -1.499 3.987 -3.155 1.00 0.23 H new ATOM 291 N ASN A 19 -1.833 6.902 -7.128 1.00 0.48 N ATOM 292 CA ASN A 19 -1.381 7.589 -8.371 1.00 0.46 C ATOM 293 C ASN A 19 -0.104 8.381 -8.079 1.00 0.48 C ATOM 294 O ASN A 19 0.845 8.349 -8.837 1.00 0.50 O ATOM 295 CB ASN A 19 -2.475 8.544 -8.852 1.00 0.45 C ATOM 296 CG ASN A 19 -3.722 7.744 -9.230 1.00 0.29 C ATOM 297 OD1 ASN A 19 -4.693 7.729 -8.498 1.00 1.00 O ATOM 298 ND2 ASN A 19 -3.739 7.075 -10.349 1.00 1.36 N ATOM 0 H ASN A 19 -2.768 7.155 -6.807 1.00 0.48 H new ATOM 0 HA ASN A 19 -1.180 6.848 -9.145 1.00 0.46 H new ATOM 0 HB2 ASN A 19 -2.715 9.263 -8.069 1.00 0.45 H new ATOM 0 HB3 ASN A 19 -2.122 9.115 -9.711 1.00 0.45 H new ATOM 0 HD21 ASN A 19 -4.567 6.539 -10.610 1.00 1.36 H new ATOM 0 HD22 ASN A 19 -2.925 7.088 -10.963 1.00 1.36 H new ATOM 305 N SER A 20 -0.073 9.090 -6.984 1.00 0.48 N ATOM 306 CA SER A 20 1.141 9.883 -6.643 1.00 0.51 C ATOM 307 C SER A 20 2.375 8.981 -6.708 1.00 0.56 C ATOM 308 O SER A 20 3.409 9.363 -7.219 1.00 0.53 O ATOM 309 CB SER A 20 0.999 10.451 -5.230 1.00 0.63 C ATOM 310 OG SER A 20 -0.213 11.188 -5.140 1.00 0.73 O ATOM 0 H SER A 20 -0.836 9.154 -6.311 1.00 0.48 H new ATOM 0 HA SER A 20 1.251 10.701 -7.354 1.00 0.51 H new ATOM 0 HB2 SER A 20 1.002 9.643 -4.499 1.00 0.63 H new ATOM 0 HB3 SER A 20 1.848 11.094 -4.997 1.00 0.63 H new ATOM 0 HG SER A 20 -0.308 11.552 -4.235 1.00 0.73 H new ATOM 316 N LEU A 21 2.275 7.785 -6.196 1.00 0.64 N ATOM 317 CA LEU A 21 3.444 6.861 -6.229 1.00 0.72 C ATOM 318 C LEU A 21 3.722 6.444 -7.675 1.00 0.68 C ATOM 319 O LEU A 21 4.844 6.496 -8.140 1.00 0.74 O ATOM 320 CB LEU A 21 3.134 5.617 -5.392 1.00 0.76 C ATOM 321 CG LEU A 21 2.711 6.038 -3.983 1.00 0.64 C ATOM 322 CD1 LEU A 21 2.398 4.793 -3.151 1.00 0.79 C ATOM 323 CD2 LEU A 21 3.846 6.821 -3.317 1.00 0.54 C ATOM 0 H LEU A 21 1.435 7.408 -5.757 1.00 0.64 H new ATOM 0 HA LEU A 21 4.319 7.366 -5.820 1.00 0.72 H new ATOM 0 HB2 LEU A 21 2.340 5.038 -5.863 1.00 0.76 H new ATOM 0 HB3 LEU A 21 4.011 4.972 -5.342 1.00 0.76 H new ATOM 0 HG LEU A 21 1.824 6.668 -4.046 1.00 0.64 H new ATOM 0 HD11 LEU A 21 2.097 5.092 -2.147 1.00 0.79 H new ATOM 0 HD12 LEU A 21 1.589 4.235 -3.622 1.00 0.79 H new ATOM 0 HD13 LEU A 21 3.286 4.163 -3.091 1.00 0.79 H new ATOM 0 HD21 LEU A 21 3.542 7.120 -2.314 1.00 0.54 H new ATOM 0 HD22 LEU A 21 4.734 6.192 -3.255 1.00 0.54 H new ATOM 0 HD23 LEU A 21 4.071 7.709 -3.908 1.00 0.54 H new ATOM 335 N THR A 22 2.712 6.032 -8.390 1.00 0.62 N ATOM 336 CA THR A 22 2.922 5.614 -9.805 1.00 0.61 C ATOM 337 C THR A 22 3.713 6.694 -10.544 1.00 0.64 C ATOM 338 O THR A 22 4.385 6.426 -11.520 1.00 0.88 O ATOM 339 CB THR A 22 1.565 5.418 -10.485 1.00 0.51 C ATOM 340 OG1 THR A 22 0.856 6.649 -10.488 1.00 0.45 O ATOM 341 CG2 THR A 22 0.758 4.363 -9.727 1.00 0.42 C ATOM 0 H THR A 22 1.750 5.967 -8.056 1.00 0.62 H new ATOM 0 HA THR A 22 3.479 4.677 -9.829 1.00 0.61 H new ATOM 0 HB THR A 22 1.718 5.084 -11.511 1.00 0.51 H new ATOM 0 HG1 THR A 22 1.078 7.156 -9.679 1.00 0.45 H new ATOM 0 HG21 THR A 22 -0.208 4.225 -10.213 1.00 0.42 H new ATOM 0 HG22 THR A 22 1.302 3.419 -9.727 1.00 0.42 H new ATOM 0 HG23 THR A 22 0.603 4.692 -8.699 1.00 0.42 H new ATOM 349 N GLU A 23 3.638 7.915 -10.086 1.00 0.52 N ATOM 350 CA GLU A 23 4.386 9.011 -10.765 1.00 0.51 C ATOM 351 C GLU A 23 5.854 8.969 -10.333 1.00 0.52 C ATOM 352 O GLU A 23 6.741 9.336 -11.078 1.00 0.50 O ATOM 353 CB GLU A 23 3.777 10.360 -10.377 1.00 0.51 C ATOM 354 CG GLU A 23 2.687 10.736 -11.382 1.00 0.76 C ATOM 355 CD GLU A 23 1.680 11.673 -10.715 1.00 0.69 C ATOM 356 OE1 GLU A 23 2.048 12.802 -10.431 1.00 0.76 O ATOM 357 OE2 GLU A 23 0.557 11.248 -10.499 1.00 2.13 O ATOM 0 H GLU A 23 3.092 8.200 -9.273 1.00 0.52 H new ATOM 0 HA GLU A 23 4.322 8.881 -11.845 1.00 0.51 H new ATOM 0 HB2 GLU A 23 3.357 10.306 -9.372 1.00 0.51 H new ATOM 0 HB3 GLU A 23 4.550 11.128 -10.359 1.00 0.51 H new ATOM 0 HG2 GLU A 23 3.131 11.221 -12.251 1.00 0.76 H new ATOM 0 HG3 GLU A 23 2.183 9.839 -11.740 1.00 0.76 H new ATOM 364 N GLN A 24 6.117 8.525 -9.135 1.00 0.53 N ATOM 365 CA GLN A 24 7.527 8.459 -8.657 1.00 0.54 C ATOM 366 C GLN A 24 8.110 7.083 -8.982 1.00 0.55 C ATOM 367 O GLN A 24 7.398 6.105 -9.082 1.00 0.64 O ATOM 368 CB GLN A 24 7.563 8.685 -7.143 1.00 0.55 C ATOM 369 CG GLN A 24 7.913 10.146 -6.852 1.00 0.71 C ATOM 370 CD GLN A 24 7.674 10.443 -5.371 1.00 0.96 C ATOM 371 OE1 GLN A 24 6.844 9.820 -4.740 1.00 1.74 O ATOM 372 NE2 GLN A 24 8.374 11.376 -4.785 1.00 1.49 N ATOM 0 H GLN A 24 5.417 8.205 -8.466 1.00 0.53 H new ATOM 0 HA GLN A 24 8.117 9.230 -9.153 1.00 0.54 H new ATOM 0 HB2 GLN A 24 6.596 8.438 -6.705 1.00 0.55 H new ATOM 0 HB3 GLN A 24 8.299 8.025 -6.684 1.00 0.55 H new ATOM 0 HG2 GLN A 24 8.954 10.340 -7.109 1.00 0.71 H new ATOM 0 HG3 GLN A 24 7.304 10.807 -7.469 1.00 0.71 H new ATOM 0 HE21 GLN A 24 9.071 11.899 -5.315 1.00 1.49 H new ATOM 0 HE22 GLN A 24 8.224 11.582 -3.797 1.00 1.49 H new ATOM 381 N LYS A 25 9.402 6.999 -9.150 1.00 0.50 N ATOM 382 CA LYS A 25 10.025 5.683 -9.470 1.00 0.51 C ATOM 383 C LYS A 25 11.456 5.643 -8.927 1.00 0.49 C ATOM 384 O LYS A 25 12.406 5.908 -9.636 1.00 0.88 O ATOM 385 CB LYS A 25 10.053 5.488 -10.987 1.00 0.52 C ATOM 386 CG LYS A 25 8.621 5.418 -11.521 1.00 0.51 C ATOM 387 CD LYS A 25 8.637 4.899 -12.961 1.00 0.93 C ATOM 388 CE LYS A 25 7.698 5.746 -13.820 1.00 0.59 C ATOM 389 NZ LYS A 25 8.245 7.127 -13.941 1.00 1.65 N ATOM 0 H LYS A 25 10.051 7.782 -9.080 1.00 0.50 H new ATOM 0 HA LYS A 25 9.441 4.887 -9.009 1.00 0.51 H new ATOM 0 HB2 LYS A 25 10.589 6.311 -11.460 1.00 0.52 H new ATOM 0 HB3 LYS A 25 10.590 4.573 -11.237 1.00 0.52 H new ATOM 0 HG2 LYS A 25 8.019 4.761 -10.893 1.00 0.51 H new ATOM 0 HG3 LYS A 25 8.159 6.405 -11.484 1.00 0.51 H new ATOM 0 HD2 LYS A 25 9.650 4.940 -13.362 1.00 0.93 H new ATOM 0 HD3 LYS A 25 8.326 3.855 -12.986 1.00 0.93 H new ATOM 0 HE2 LYS A 25 7.589 5.299 -14.808 1.00 0.59 H new ATOM 0 HE3 LYS A 25 6.705 5.775 -13.372 1.00 0.59 H new ATOM 0 HZ1 LYS A 25 7.942 7.542 -14.845 1.00 1.65 H new ATOM 0 HZ2 LYS A 25 7.891 7.711 -13.156 1.00 1.65 H new ATOM 0 HZ3 LYS A 25 9.284 7.093 -13.906 1.00 1.65 H new ATOM 403 N THR A 26 11.617 5.311 -7.676 1.00 0.20 N ATOM 404 CA THR A 26 12.987 5.249 -7.091 1.00 0.24 C ATOM 405 C THR A 26 13.524 3.822 -7.220 1.00 0.27 C ATOM 406 O THR A 26 12.849 2.939 -7.709 1.00 0.31 O ATOM 407 CB THR A 26 12.931 5.644 -5.614 1.00 0.22 C ATOM 408 OG1 THR A 26 12.240 4.640 -4.883 1.00 0.29 O ATOM 409 CG2 THR A 26 12.202 6.980 -5.467 1.00 0.28 C ATOM 0 H THR A 26 10.860 5.080 -7.033 1.00 0.20 H new ATOM 0 HA THR A 26 13.644 5.937 -7.622 1.00 0.24 H new ATOM 0 HB THR A 26 13.945 5.743 -5.226 1.00 0.22 H new ATOM 0 HG1 THR A 26 12.205 4.891 -3.936 1.00 0.29 H new ATOM 0 HG21 THR A 26 12.163 7.259 -4.414 1.00 0.28 H new ATOM 0 HG22 THR A 26 12.735 7.749 -6.027 1.00 0.28 H new ATOM 0 HG23 THR A 26 11.188 6.886 -5.855 1.00 0.28 H new ATOM 417 N LEU A 27 14.733 3.586 -6.786 1.00 0.27 N ATOM 418 CA LEU A 27 15.299 2.211 -6.891 1.00 0.29 C ATOM 419 C LEU A 27 14.588 1.295 -5.893 1.00 0.25 C ATOM 420 O LEU A 27 14.611 0.086 -6.018 1.00 0.18 O ATOM 421 CB LEU A 27 16.806 2.248 -6.601 1.00 0.33 C ATOM 422 CG LEU A 27 17.063 2.443 -5.102 1.00 0.43 C ATOM 423 CD1 LEU A 27 17.397 1.093 -4.455 1.00 0.47 C ATOM 424 CD2 LEU A 27 18.249 3.394 -4.918 1.00 0.43 C ATOM 0 H LEU A 27 15.350 4.281 -6.366 1.00 0.27 H new ATOM 0 HA LEU A 27 15.147 1.826 -7.899 1.00 0.29 H new ATOM 0 HB2 LEU A 27 17.269 1.320 -6.937 1.00 0.33 H new ATOM 0 HB3 LEU A 27 17.270 3.058 -7.163 1.00 0.33 H new ATOM 0 HG LEU A 27 16.173 2.860 -4.632 1.00 0.43 H new ATOM 0 HD11 LEU A 27 17.579 1.235 -3.390 1.00 0.47 H new ATOM 0 HD12 LEU A 27 16.561 0.407 -4.592 1.00 0.47 H new ATOM 0 HD13 LEU A 27 18.289 0.676 -4.923 1.00 0.47 H new ATOM 0 HD21 LEU A 27 18.438 3.538 -3.854 1.00 0.43 H new ATOM 0 HD22 LEU A 27 19.134 2.967 -5.390 1.00 0.43 H new ATOM 0 HD23 LEU A 27 18.020 4.355 -5.379 1.00 0.43 H new ATOM 436 N CYS A 28 13.954 1.863 -4.904 1.00 0.33 N ATOM 437 CA CYS A 28 13.237 1.030 -3.898 1.00 0.30 C ATOM 438 C CYS A 28 12.194 0.166 -4.609 1.00 0.29 C ATOM 439 O CYS A 28 11.579 -0.698 -4.014 1.00 0.28 O ATOM 440 CB CYS A 28 12.539 1.943 -2.887 1.00 0.24 C ATOM 441 SG CYS A 28 12.837 1.335 -1.208 1.00 0.27 S ATOM 0 H CYS A 28 13.902 2.870 -4.749 1.00 0.33 H new ATOM 0 HA CYS A 28 13.949 0.389 -3.378 1.00 0.30 H new ATOM 0 HB2 CYS A 28 12.911 2.963 -2.986 1.00 0.24 H new ATOM 0 HB3 CYS A 28 11.468 1.973 -3.088 1.00 0.24 H new ATOM 446 N THR A 29 11.992 0.391 -5.878 1.00 0.29 N ATOM 447 CA THR A 29 10.989 -0.418 -6.628 1.00 0.29 C ATOM 448 C THR A 29 11.615 -1.751 -7.042 1.00 0.33 C ATOM 449 O THR A 29 10.932 -2.739 -7.220 1.00 0.34 O ATOM 450 CB THR A 29 10.548 0.350 -7.877 1.00 0.29 C ATOM 451 OG1 THR A 29 11.696 0.737 -8.622 1.00 0.46 O ATOM 452 CG2 THR A 29 9.763 1.595 -7.463 1.00 0.21 C ATOM 0 H THR A 29 12.478 1.100 -6.428 1.00 0.29 H new ATOM 0 HA THR A 29 10.124 -0.606 -5.992 1.00 0.29 H new ATOM 0 HB THR A 29 9.913 -0.288 -8.491 1.00 0.29 H new ATOM 0 HG1 THR A 29 11.876 1.689 -8.474 1.00 0.46 H new ATOM 0 HG21 THR A 29 9.450 2.140 -8.353 1.00 0.21 H new ATOM 0 HG22 THR A 29 8.884 1.297 -6.892 1.00 0.21 H new ATOM 0 HG23 THR A 29 10.395 2.236 -6.848 1.00 0.21 H new ATOM 460 N GLU A 30 12.910 -1.786 -7.197 1.00 0.35 N ATOM 461 CA GLU A 30 13.577 -3.055 -7.599 1.00 0.40 C ATOM 462 C GLU A 30 13.455 -4.076 -6.467 1.00 0.39 C ATOM 463 O GLU A 30 14.026 -5.147 -6.518 1.00 0.64 O ATOM 464 CB GLU A 30 15.056 -2.786 -7.887 1.00 0.43 C ATOM 465 CG GLU A 30 15.177 -1.774 -9.028 1.00 0.80 C ATOM 466 CD GLU A 30 16.617 -1.756 -9.545 1.00 1.60 C ATOM 467 OE1 GLU A 30 17.174 -2.827 -9.726 1.00 1.74 O ATOM 468 OE2 GLU A 30 17.140 -0.672 -9.750 1.00 2.65 O ATOM 0 H GLU A 30 13.534 -0.991 -7.063 1.00 0.35 H new ATOM 0 HA GLU A 30 13.099 -3.448 -8.496 1.00 0.40 H new ATOM 0 HB2 GLU A 30 15.548 -2.403 -6.993 1.00 0.43 H new ATOM 0 HB3 GLU A 30 15.560 -3.714 -8.155 1.00 0.43 H new ATOM 0 HG2 GLU A 30 14.493 -2.037 -9.835 1.00 0.80 H new ATOM 0 HG3 GLU A 30 14.892 -0.781 -8.679 1.00 0.80 H new ATOM 475 N LEU A 31 12.714 -3.751 -5.442 1.00 0.15 N ATOM 476 CA LEU A 31 12.555 -4.703 -4.306 1.00 0.16 C ATOM 477 C LEU A 31 11.309 -5.561 -4.530 1.00 0.14 C ATOM 478 O LEU A 31 10.255 -5.065 -4.875 1.00 0.39 O ATOM 479 CB LEU A 31 12.405 -3.918 -3.001 1.00 0.16 C ATOM 480 CG LEU A 31 13.513 -2.868 -2.905 1.00 0.17 C ATOM 481 CD1 LEU A 31 13.384 -2.107 -1.585 1.00 0.17 C ATOM 482 CD2 LEU A 31 14.876 -3.561 -2.963 1.00 0.22 C ATOM 0 H LEU A 31 12.213 -2.868 -5.343 1.00 0.15 H new ATOM 0 HA LEU A 31 13.433 -5.346 -4.245 1.00 0.16 H new ATOM 0 HB2 LEU A 31 11.428 -3.435 -2.965 1.00 0.16 H new ATOM 0 HB3 LEU A 31 12.457 -4.596 -2.149 1.00 0.16 H new ATOM 0 HG LEU A 31 13.424 -2.169 -3.736 1.00 0.17 H new ATOM 0 HD11 LEU A 31 14.174 -1.359 -1.518 1.00 0.17 H new ATOM 0 HD12 LEU A 31 12.413 -1.614 -1.543 1.00 0.17 H new ATOM 0 HD13 LEU A 31 13.473 -2.805 -0.752 1.00 0.17 H new ATOM 0 HD21 LEU A 31 15.667 -2.814 -2.895 1.00 0.22 H new ATOM 0 HD22 LEU A 31 14.964 -4.260 -2.132 1.00 0.22 H new ATOM 0 HD23 LEU A 31 14.969 -4.103 -3.904 1.00 0.22 H new ATOM 494 N THR A 32 11.420 -6.847 -4.339 1.00 0.17 N ATOM 495 CA THR A 32 10.241 -7.735 -4.542 1.00 0.17 C ATOM 496 C THR A 32 9.436 -7.818 -3.243 1.00 0.15 C ATOM 497 O THR A 32 9.942 -8.214 -2.213 1.00 0.10 O ATOM 498 CB THR A 32 10.718 -9.135 -4.936 1.00 0.16 C ATOM 499 OG1 THR A 32 11.676 -9.590 -3.990 1.00 0.14 O ATOM 500 CG2 THR A 32 11.353 -9.088 -6.326 1.00 0.20 C ATOM 0 H THR A 32 12.276 -7.321 -4.051 1.00 0.17 H new ATOM 0 HA THR A 32 9.613 -7.329 -5.335 1.00 0.17 H new ATOM 0 HB THR A 32 9.869 -9.818 -4.951 1.00 0.16 H new ATOM 0 HG1 THR A 32 11.608 -10.563 -3.897 1.00 0.14 H new ATOM 0 HG21 THR A 32 11.692 -10.086 -6.605 1.00 0.20 H new ATOM 0 HG22 THR A 32 10.617 -8.739 -7.051 1.00 0.20 H new ATOM 0 HG23 THR A 32 12.203 -8.406 -6.315 1.00 0.20 H new ATOM 508 N VAL A 33 8.185 -7.448 -3.286 1.00 0.22 N ATOM 509 CA VAL A 33 7.346 -7.505 -2.056 1.00 0.24 C ATOM 510 C VAL A 33 6.594 -8.837 -2.012 1.00 0.24 C ATOM 511 O VAL A 33 6.688 -9.644 -2.915 1.00 0.24 O ATOM 512 CB VAL A 33 6.340 -6.353 -2.071 1.00 0.32 C ATOM 513 CG1 VAL A 33 7.069 -5.043 -2.375 1.00 0.23 C ATOM 514 CG2 VAL A 33 5.287 -6.612 -3.149 1.00 0.43 C ATOM 0 H VAL A 33 7.708 -7.108 -4.121 1.00 0.22 H new ATOM 0 HA VAL A 33 7.985 -7.419 -1.177 1.00 0.24 H new ATOM 0 HB VAL A 33 5.855 -6.281 -1.098 1.00 0.32 H new ATOM 0 HG11 VAL A 33 6.352 -4.222 -2.386 1.00 0.23 H new ATOM 0 HG12 VAL A 33 7.821 -4.858 -1.608 1.00 0.23 H new ATOM 0 HG13 VAL A 33 7.554 -5.114 -3.349 1.00 0.23 H new ATOM 0 HG21 VAL A 33 4.569 -5.792 -3.161 1.00 0.43 H new ATOM 0 HG22 VAL A 33 5.773 -6.683 -4.122 1.00 0.43 H new ATOM 0 HG23 VAL A 33 4.768 -7.546 -2.933 1.00 0.43 H new ATOM 524 N THR A 34 5.848 -9.073 -0.967 1.00 0.27 N ATOM 525 CA THR A 34 5.091 -10.352 -0.867 1.00 0.27 C ATOM 526 C THR A 34 3.688 -10.160 -1.447 1.00 0.23 C ATOM 527 O THR A 34 2.962 -9.266 -1.060 1.00 0.19 O ATOM 528 CB THR A 34 4.983 -10.767 0.603 1.00 0.26 C ATOM 529 OG1 THR A 34 6.257 -11.190 1.068 1.00 0.39 O ATOM 530 CG2 THR A 34 3.981 -11.915 0.739 1.00 0.28 C ATOM 0 H THR A 34 5.731 -8.436 -0.179 1.00 0.27 H new ATOM 0 HA THR A 34 5.613 -11.128 -1.426 1.00 0.27 H new ATOM 0 HB THR A 34 4.642 -9.919 1.197 1.00 0.26 H new ATOM 0 HG1 THR A 34 6.190 -11.454 2.009 1.00 0.39 H new ATOM 0 HG21 THR A 34 3.905 -12.210 1.786 1.00 0.28 H new ATOM 0 HG22 THR A 34 3.004 -11.589 0.382 1.00 0.28 H new ATOM 0 HG23 THR A 34 4.319 -12.765 0.147 1.00 0.28 H new ATOM 538 N ASP A 35 3.299 -10.993 -2.374 1.00 0.26 N ATOM 539 CA ASP A 35 1.945 -10.856 -2.977 1.00 0.24 C ATOM 540 C ASP A 35 0.887 -11.291 -1.961 1.00 0.18 C ATOM 541 O ASP A 35 1.198 -11.860 -0.933 1.00 0.27 O ATOM 542 CB ASP A 35 1.849 -11.741 -4.222 1.00 0.28 C ATOM 543 CG ASP A 35 0.688 -11.266 -5.098 1.00 0.27 C ATOM 544 OD1 ASP A 35 0.907 -10.385 -5.913 1.00 1.12 O ATOM 545 OD2 ASP A 35 -0.401 -11.793 -4.939 1.00 1.04 O ATOM 0 H ASP A 35 3.861 -11.762 -2.739 1.00 0.26 H new ATOM 0 HA ASP A 35 1.776 -9.816 -3.256 1.00 0.24 H new ATOM 0 HB2 ASP A 35 2.782 -11.700 -4.783 1.00 0.28 H new ATOM 0 HB3 ASP A 35 1.698 -12.781 -3.931 1.00 0.28 H new ATOM 550 N ILE A 36 -0.361 -11.029 -2.240 1.00 0.45 N ATOM 551 CA ILE A 36 -1.438 -11.427 -1.289 1.00 0.40 C ATOM 552 C ILE A 36 -2.700 -11.794 -2.072 1.00 0.42 C ATOM 553 O ILE A 36 -3.443 -12.678 -1.693 1.00 0.45 O ATOM 554 CB ILE A 36 -1.741 -10.262 -0.346 1.00 0.27 C ATOM 555 CG1 ILE A 36 -1.775 -8.956 -1.142 1.00 0.39 C ATOM 556 CG2 ILE A 36 -0.655 -10.177 0.727 1.00 0.64 C ATOM 557 CD1 ILE A 36 -2.318 -7.832 -0.259 1.00 0.19 C ATOM 0 H ILE A 36 -0.681 -10.557 -3.085 1.00 0.45 H new ATOM 0 HA ILE A 36 -1.110 -12.288 -0.707 1.00 0.40 H new ATOM 0 HB ILE A 36 -2.709 -10.423 0.129 1.00 0.27 H new ATOM 0 HG12 ILE A 36 -0.774 -8.706 -1.492 1.00 0.39 H new ATOM 0 HG13 ILE A 36 -2.402 -9.073 -2.026 1.00 0.39 H new ATOM 0 HG21 ILE A 36 -0.872 -9.346 1.399 1.00 0.64 H new ATOM 0 HG22 ILE A 36 -0.631 -11.107 1.295 1.00 0.64 H new ATOM 0 HG23 ILE A 36 0.313 -10.017 0.253 1.00 0.64 H new ATOM 0 HD11 ILE A 36 -2.342 -6.902 -0.827 1.00 0.19 H new ATOM 0 HD12 ILE A 36 -3.327 -8.082 0.069 1.00 0.19 H new ATOM 0 HD13 ILE A 36 -1.673 -7.709 0.611 1.00 0.19 H new ATOM 569 N PHE A 37 -2.950 -11.121 -3.163 1.00 0.49 N ATOM 570 CA PHE A 37 -4.164 -11.433 -3.968 1.00 0.62 C ATOM 571 C PHE A 37 -3.930 -12.716 -4.768 1.00 0.80 C ATOM 572 O PHE A 37 -4.801 -13.187 -5.472 1.00 0.98 O ATOM 573 CB PHE A 37 -4.449 -10.276 -4.928 1.00 0.74 C ATOM 574 CG PHE A 37 -4.296 -8.964 -4.197 1.00 0.56 C ATOM 575 CD1 PHE A 37 -5.317 -8.508 -3.356 1.00 0.63 C ATOM 576 CD2 PHE A 37 -3.131 -8.204 -4.362 1.00 0.40 C ATOM 577 CE1 PHE A 37 -5.173 -7.292 -2.677 1.00 0.65 C ATOM 578 CE2 PHE A 37 -2.988 -6.988 -3.683 1.00 0.40 C ATOM 579 CZ PHE A 37 -4.009 -6.532 -2.840 1.00 0.58 C ATOM 0 H PHE A 37 -2.366 -10.370 -3.531 1.00 0.49 H new ATOM 0 HA PHE A 37 -5.016 -11.571 -3.303 1.00 0.62 H new ATOM 0 HB2 PHE A 37 -3.763 -10.315 -5.774 1.00 0.74 H new ATOM 0 HB3 PHE A 37 -5.458 -10.364 -5.331 1.00 0.74 H new ATOM 0 HD1 PHE A 37 -6.216 -9.094 -3.231 1.00 0.63 H new ATOM 0 HD2 PHE A 37 -2.344 -8.556 -5.012 1.00 0.40 H new ATOM 0 HE1 PHE A 37 -5.961 -6.940 -2.027 1.00 0.65 H new ATOM 0 HE2 PHE A 37 -2.090 -6.401 -3.809 1.00 0.40 H new ATOM 0 HZ PHE A 37 -3.898 -5.594 -2.316 1.00 0.58 H new ATOM 589 N ALA A 38 -2.760 -13.284 -4.667 1.00 0.80 N ATOM 590 CA ALA A 38 -2.472 -14.535 -5.422 1.00 1.00 C ATOM 591 C ALA A 38 -2.818 -15.746 -4.554 1.00 0.91 C ATOM 592 O ALA A 38 -2.359 -16.845 -4.792 1.00 0.90 O ATOM 593 CB ALA A 38 -0.987 -14.579 -5.789 1.00 1.16 C ATOM 0 H ALA A 38 -1.991 -12.936 -4.094 1.00 0.80 H new ATOM 0 HA ALA A 38 -3.072 -14.556 -6.332 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -0.776 -15.494 -6.342 1.00 1.16 H new ATOM 0 HB2 ALA A 38 -0.739 -13.716 -6.408 1.00 1.16 H new ATOM 0 HB3 ALA A 38 -0.387 -14.558 -4.879 1.00 1.16 H new ATOM 599 N ALA A 39 -3.625 -15.553 -3.546 1.00 0.86 N ATOM 600 CA ALA A 39 -4.000 -16.694 -2.663 1.00 0.79 C ATOM 601 C ALA A 39 -5.258 -16.332 -1.870 1.00 0.68 C ATOM 602 O ALA A 39 -5.398 -16.684 -0.716 1.00 0.66 O ATOM 603 CB ALA A 39 -2.853 -16.986 -1.693 1.00 0.79 C ATOM 0 H ALA A 39 -4.040 -14.656 -3.296 1.00 0.86 H new ATOM 0 HA ALA A 39 -4.195 -17.577 -3.272 1.00 0.79 H new ATOM 0 HB1 ALA A 39 -3.126 -17.820 -1.047 1.00 0.79 H new ATOM 0 HB2 ALA A 39 -1.956 -17.242 -2.257 1.00 0.79 H new ATOM 0 HB3 ALA A 39 -2.658 -16.104 -1.083 1.00 0.79 H new ATOM 609 N SER A 40 -6.175 -15.631 -2.481 1.00 0.70 N ATOM 610 CA SER A 40 -7.422 -15.248 -1.762 1.00 0.60 C ATOM 611 C SER A 40 -8.499 -16.306 -2.010 1.00 0.62 C ATOM 612 O SER A 40 -9.316 -16.177 -2.899 1.00 0.93 O ATOM 613 CB SER A 40 -7.910 -13.894 -2.276 1.00 0.64 C ATOM 614 OG SER A 40 -8.419 -14.047 -3.594 1.00 1.80 O ATOM 0 H SER A 40 -6.114 -15.308 -3.446 1.00 0.70 H new ATOM 0 HA SER A 40 -7.219 -15.180 -0.693 1.00 0.60 H new ATOM 0 HB2 SER A 40 -8.685 -13.500 -1.618 1.00 0.64 H new ATOM 0 HB3 SER A 40 -7.092 -13.174 -2.271 1.00 0.64 H new ATOM 0 HG SER A 40 -9.180 -14.664 -3.581 1.00 1.80 H new ATOM 620 N LYS A 41 -8.506 -17.353 -1.230 1.00 0.56 N ATOM 621 CA LYS A 41 -9.532 -18.418 -1.422 1.00 0.62 C ATOM 622 C LYS A 41 -10.896 -17.900 -0.961 1.00 0.99 C ATOM 623 O LYS A 41 -11.837 -17.838 -1.726 1.00 1.40 O ATOM 624 CB LYS A 41 -9.148 -19.649 -0.598 1.00 0.38 C ATOM 625 CG LYS A 41 -7.778 -20.157 -1.048 1.00 0.37 C ATOM 626 CD LYS A 41 -7.215 -21.111 0.008 1.00 1.06 C ATOM 627 CE LYS A 41 -6.037 -21.889 -0.581 1.00 1.00 C ATOM 628 NZ LYS A 41 -5.078 -22.237 0.506 1.00 2.30 N ATOM 0 H LYS A 41 -7.847 -17.517 -0.469 1.00 0.56 H new ATOM 0 HA LYS A 41 -9.584 -18.688 -2.477 1.00 0.62 H new ATOM 0 HB2 LYS A 41 -9.124 -19.397 0.462 1.00 0.38 H new ATOM 0 HB3 LYS A 41 -9.897 -20.431 -0.723 1.00 0.38 H new ATOM 0 HG2 LYS A 41 -7.865 -20.669 -2.006 1.00 0.37 H new ATOM 0 HG3 LYS A 41 -7.098 -19.318 -1.195 1.00 0.37 H new ATOM 0 HD2 LYS A 41 -6.892 -20.550 0.885 1.00 1.06 H new ATOM 0 HD3 LYS A 41 -7.991 -21.801 0.340 1.00 1.06 H new ATOM 0 HE2 LYS A 41 -6.394 -22.796 -1.070 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -5.538 -21.291 -1.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -4.277 -22.766 0.106 1.00 2.30 H new ATOM 0 HZ2 LYS A 41 -4.729 -21.365 0.953 1.00 2.30 H new ATOM 0 HZ3 LYS A 41 -5.558 -22.823 1.218 1.00 2.30 H new ATOM 642 N ASP A 42 -11.010 -17.528 0.284 1.00 1.11 N ATOM 643 CA ASP A 42 -12.313 -17.016 0.793 1.00 1.60 C ATOM 644 C ASP A 42 -12.060 -15.972 1.883 1.00 1.17 C ATOM 645 O ASP A 42 -12.858 -15.795 2.783 1.00 1.17 O ATOM 646 CB ASP A 42 -13.125 -18.174 1.374 1.00 2.29 C ATOM 647 CG ASP A 42 -12.278 -18.929 2.400 1.00 1.24 C ATOM 648 OD1 ASP A 42 -11.172 -18.487 2.664 1.00 1.31 O ATOM 649 OD2 ASP A 42 -12.748 -19.936 2.902 1.00 1.45 O ATOM 0 H ASP A 42 -10.257 -17.557 0.971 1.00 1.11 H new ATOM 0 HA ASP A 42 -12.868 -16.559 -0.026 1.00 1.60 H new ATOM 0 HB2 ASP A 42 -14.033 -17.795 1.844 1.00 2.29 H new ATOM 0 HB3 ASP A 42 -13.437 -18.849 0.577 1.00 2.29 H new ATOM 654 N THR A 43 -10.956 -15.281 1.812 1.00 0.85 N ATOM 655 CA THR A 43 -10.654 -14.250 2.844 1.00 0.49 C ATOM 656 C THR A 43 -11.538 -13.022 2.614 1.00 0.51 C ATOM 657 O THR A 43 -11.631 -12.509 1.516 1.00 0.81 O ATOM 658 CB THR A 43 -9.181 -13.844 2.744 1.00 0.41 C ATOM 659 OG1 THR A 43 -9.030 -12.865 1.725 1.00 1.19 O ATOM 660 CG2 THR A 43 -8.334 -15.071 2.406 1.00 1.14 C ATOM 0 H THR A 43 -10.250 -15.386 1.084 1.00 0.85 H new ATOM 0 HA THR A 43 -10.852 -14.659 3.835 1.00 0.49 H new ATOM 0 HB THR A 43 -8.852 -13.430 3.697 1.00 0.41 H new ATOM 0 HG1 THR A 43 -9.871 -12.777 1.229 1.00 1.19 H new ATOM 0 HG21 THR A 43 -7.286 -14.781 2.335 1.00 1.14 H new ATOM 0 HG22 THR A 43 -8.451 -15.821 3.189 1.00 1.14 H new ATOM 0 HG23 THR A 43 -8.661 -15.487 1.453 1.00 1.14 H new ATOM 668 N THR A 44 -12.190 -12.549 3.640 1.00 0.65 N ATOM 669 CA THR A 44 -13.067 -11.355 3.479 1.00 0.87 C ATOM 670 C THR A 44 -12.228 -10.165 3.010 1.00 0.65 C ATOM 671 O THR A 44 -11.097 -10.316 2.591 1.00 0.42 O ATOM 672 CB THR A 44 -13.724 -11.020 4.820 1.00 1.07 C ATOM 673 OG1 THR A 44 -12.734 -10.552 5.726 1.00 1.30 O ATOM 674 CG2 THR A 44 -14.392 -12.271 5.390 1.00 1.43 C ATOM 0 H THR A 44 -12.154 -12.937 4.582 1.00 0.65 H new ATOM 0 HA THR A 44 -13.839 -11.568 2.740 1.00 0.87 H new ATOM 0 HB THR A 44 -14.477 -10.246 4.673 1.00 1.07 H new ATOM 0 HG1 THR A 44 -13.153 -10.335 6.585 1.00 1.30 H new ATOM 0 HG21 THR A 44 -14.859 -12.031 6.345 1.00 1.43 H new ATOM 0 HG22 THR A 44 -15.151 -12.627 4.694 1.00 1.43 H new ATOM 0 HG23 THR A 44 -13.642 -13.048 5.538 1.00 1.43 H new ATOM 682 N GLU A 45 -12.772 -8.980 3.076 1.00 1.00 N ATOM 683 CA GLU A 45 -12.004 -7.782 2.634 1.00 0.80 C ATOM 684 C GLU A 45 -11.169 -7.252 3.802 1.00 0.70 C ATOM 685 O GLU A 45 -10.076 -6.754 3.620 1.00 0.57 O ATOM 686 CB GLU A 45 -12.977 -6.696 2.167 1.00 0.78 C ATOM 687 CG GLU A 45 -14.239 -7.350 1.601 1.00 0.97 C ATOM 688 CD GLU A 45 -15.217 -7.646 2.739 1.00 2.32 C ATOM 689 OE1 GLU A 45 -15.562 -6.719 3.453 1.00 3.15 O ATOM 690 OE2 GLU A 45 -15.604 -8.795 2.877 1.00 2.91 O ATOM 0 H GLU A 45 -13.714 -8.790 3.417 1.00 1.00 H new ATOM 0 HA GLU A 45 -11.344 -8.056 1.811 1.00 0.80 H new ATOM 0 HB2 GLU A 45 -13.236 -6.042 3.000 1.00 0.78 H new ATOM 0 HB3 GLU A 45 -12.506 -6.073 1.407 1.00 0.78 H new ATOM 0 HG2 GLU A 45 -14.706 -6.691 0.869 1.00 0.97 H new ATOM 0 HG3 GLU A 45 -13.981 -8.272 1.080 1.00 0.97 H new ATOM 697 N LYS A 46 -11.676 -7.354 5.000 1.00 0.79 N ATOM 698 CA LYS A 46 -10.911 -6.856 6.177 1.00 0.75 C ATOM 699 C LYS A 46 -9.555 -7.564 6.241 1.00 0.66 C ATOM 700 O LYS A 46 -8.533 -6.949 6.473 1.00 0.79 O ATOM 701 CB LYS A 46 -11.698 -7.146 7.457 1.00 0.92 C ATOM 702 CG LYS A 46 -13.064 -6.463 7.381 1.00 0.79 C ATOM 703 CD LYS A 46 -13.555 -6.142 8.795 1.00 1.07 C ATOM 704 CE LYS A 46 -13.607 -7.428 9.622 1.00 2.42 C ATOM 705 NZ LYS A 46 -14.257 -8.506 8.824 1.00 3.34 N ATOM 0 H LYS A 46 -12.587 -7.761 5.214 1.00 0.79 H new ATOM 0 HA LYS A 46 -10.756 -5.781 6.081 1.00 0.75 H new ATOM 0 HB2 LYS A 46 -11.824 -8.221 7.584 1.00 0.92 H new ATOM 0 HB3 LYS A 46 -11.147 -6.785 8.325 1.00 0.92 H new ATOM 0 HG2 LYS A 46 -12.992 -5.548 6.793 1.00 0.79 H new ATOM 0 HG3 LYS A 46 -13.779 -7.112 6.875 1.00 0.79 H new ATOM 0 HD2 LYS A 46 -12.889 -5.420 9.267 1.00 1.07 H new ATOM 0 HD3 LYS A 46 -14.543 -5.684 8.753 1.00 1.07 H new ATOM 0 HE2 LYS A 46 -12.600 -7.730 9.908 1.00 2.42 H new ATOM 0 HE3 LYS A 46 -14.163 -7.258 10.544 1.00 2.42 H new ATOM 0 HZ1 LYS A 46 -14.717 -9.183 9.465 1.00 3.34 H new ATOM 0 HZ2 LYS A 46 -14.970 -8.088 8.192 1.00 3.34 H new ATOM 0 HZ3 LYS A 46 -13.538 -8.999 8.257 1.00 3.34 H new ATOM 719 N GLU A 47 -9.538 -8.853 6.035 1.00 0.46 N ATOM 720 CA GLU A 47 -8.248 -9.597 6.085 1.00 0.37 C ATOM 721 C GLU A 47 -7.376 -9.185 4.896 1.00 0.36 C ATOM 722 O GLU A 47 -6.165 -9.147 4.986 1.00 0.42 O ATOM 723 CB GLU A 47 -8.524 -11.100 6.018 1.00 0.33 C ATOM 724 CG GLU A 47 -9.343 -11.524 7.238 1.00 0.44 C ATOM 725 CD GLU A 47 -8.468 -12.357 8.176 1.00 0.88 C ATOM 726 OE1 GLU A 47 -8.119 -13.464 7.802 1.00 1.28 O ATOM 727 OE2 GLU A 47 -8.163 -11.873 9.255 1.00 1.62 O ATOM 0 H GLU A 47 -10.361 -9.422 5.835 1.00 0.46 H new ATOM 0 HA GLU A 47 -7.729 -9.364 7.015 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -9.065 -11.341 5.103 1.00 0.33 H new ATOM 0 HB3 GLU A 47 -7.585 -11.652 5.988 1.00 0.33 H new ATOM 0 HG2 GLU A 47 -9.719 -10.644 7.760 1.00 0.44 H new ATOM 0 HG3 GLU A 47 -10.211 -12.103 6.923 1.00 0.44 H new ATOM 734 N THR A 48 -7.982 -8.878 3.782 1.00 0.31 N ATOM 735 CA THR A 48 -7.187 -8.470 2.590 1.00 0.30 C ATOM 736 C THR A 48 -6.431 -7.176 2.900 1.00 0.31 C ATOM 737 O THR A 48 -5.216 -7.139 2.895 1.00 0.50 O ATOM 738 CB THR A 48 -8.126 -8.240 1.403 1.00 0.31 C ATOM 739 OG1 THR A 48 -8.982 -9.364 1.256 1.00 0.26 O ATOM 740 CG2 THR A 48 -7.303 -8.052 0.128 1.00 0.32 C ATOM 0 H THR A 48 -8.993 -8.892 3.646 1.00 0.31 H new ATOM 0 HA THR A 48 -6.475 -9.257 2.342 1.00 0.30 H new ATOM 0 HB THR A 48 -8.725 -7.347 1.580 1.00 0.31 H new ATOM 0 HG1 THR A 48 -9.683 -9.333 1.940 1.00 0.26 H new ATOM 0 HG21 THR A 48 -7.973 -7.888 -0.716 1.00 0.32 H new ATOM 0 HG22 THR A 48 -6.646 -7.190 0.243 1.00 0.32 H new ATOM 0 HG23 THR A 48 -6.703 -8.944 -0.052 1.00 0.32 H new ATOM 748 N PHE A 49 -7.140 -6.114 3.171 1.00 0.12 N ATOM 749 CA PHE A 49 -6.460 -4.825 3.481 1.00 0.15 C ATOM 750 C PHE A 49 -5.383 -5.059 4.540 1.00 0.17 C ATOM 751 O PHE A 49 -4.311 -4.489 4.486 1.00 0.30 O ATOM 752 CB PHE A 49 -7.486 -3.821 4.009 1.00 0.20 C ATOM 753 CG PHE A 49 -8.586 -3.638 2.989 1.00 0.21 C ATOM 754 CD1 PHE A 49 -8.292 -3.082 1.739 1.00 0.17 C ATOM 755 CD2 PHE A 49 -9.898 -4.025 3.293 1.00 0.33 C ATOM 756 CE1 PHE A 49 -9.309 -2.913 0.792 1.00 0.22 C ATOM 757 CE2 PHE A 49 -10.915 -3.854 2.345 1.00 0.37 C ATOM 758 CZ PHE A 49 -10.620 -3.298 1.095 1.00 0.31 C ATOM 0 H PHE A 49 -8.159 -6.084 3.191 1.00 0.12 H new ATOM 0 HA PHE A 49 -5.999 -4.430 2.576 1.00 0.15 H new ATOM 0 HB2 PHE A 49 -7.905 -4.175 4.951 1.00 0.20 H new ATOM 0 HB3 PHE A 49 -7.003 -2.865 4.214 1.00 0.20 H new ATOM 0 HD1 PHE A 49 -7.281 -2.783 1.505 1.00 0.17 H new ATOM 0 HD2 PHE A 49 -10.125 -4.455 4.257 1.00 0.33 H new ATOM 0 HE1 PHE A 49 -9.082 -2.485 -0.173 1.00 0.22 H new ATOM 0 HE2 PHE A 49 -11.927 -4.151 2.579 1.00 0.37 H new ATOM 0 HZ PHE A 49 -11.404 -3.166 0.364 1.00 0.31 H new ATOM 768 N CYS A 50 -5.657 -5.894 5.505 1.00 0.16 N ATOM 769 CA CYS A 50 -4.647 -6.162 6.567 1.00 0.17 C ATOM 770 C CYS A 50 -3.393 -6.773 5.937 1.00 0.12 C ATOM 771 O CYS A 50 -2.307 -6.243 6.055 1.00 0.18 O ATOM 772 CB CYS A 50 -5.230 -7.138 7.591 1.00 0.19 C ATOM 773 SG CYS A 50 -3.882 -7.992 8.445 1.00 0.17 S ATOM 0 H CYS A 50 -6.536 -6.402 5.604 1.00 0.16 H new ATOM 0 HA CYS A 50 -4.386 -5.227 7.063 1.00 0.17 H new ATOM 0 HB2 CYS A 50 -5.848 -6.601 8.310 1.00 0.19 H new ATOM 0 HB3 CYS A 50 -5.876 -7.861 7.093 1.00 0.19 H new ATOM 778 N ARG A 51 -3.536 -7.885 5.268 1.00 0.03 N ATOM 779 CA ARG A 51 -2.352 -8.527 4.631 1.00 0.08 C ATOM 780 C ARG A 51 -1.570 -7.477 3.838 1.00 0.07 C ATOM 781 O ARG A 51 -0.358 -7.411 3.904 1.00 0.11 O ATOM 782 CB ARG A 51 -2.819 -9.636 3.686 1.00 0.13 C ATOM 783 CG ARG A 51 -3.714 -10.615 4.448 1.00 0.50 C ATOM 784 CD ARG A 51 -3.066 -12.000 4.454 1.00 0.81 C ATOM 785 NE ARG A 51 -2.792 -12.427 3.054 1.00 0.87 N ATOM 786 CZ ARG A 51 -1.983 -13.425 2.823 1.00 1.76 C ATOM 787 NH1 ARG A 51 -1.415 -14.049 3.817 1.00 2.99 N ATOM 788 NH2 ARG A 51 -1.744 -13.800 1.595 1.00 2.25 N ATOM 0 H ARG A 51 -4.420 -8.376 5.135 1.00 0.03 H new ATOM 0 HA ARG A 51 -1.711 -8.954 5.402 1.00 0.08 H new ATOM 0 HB2 ARG A 51 -3.365 -9.206 2.846 1.00 0.13 H new ATOM 0 HB3 ARG A 51 -1.958 -10.161 3.272 1.00 0.13 H new ATOM 0 HG2 ARG A 51 -3.864 -10.267 5.470 1.00 0.50 H new ATOM 0 HG3 ARG A 51 -4.698 -10.664 3.981 1.00 0.50 H new ATOM 0 HD2 ARG A 51 -2.139 -11.977 5.026 1.00 0.81 H new ATOM 0 HD3 ARG A 51 -3.724 -12.719 4.942 1.00 0.81 H new ATOM 0 HE ARG A 51 -3.236 -11.940 2.276 1.00 0.87 H new ATOM 0 HH11 ARG A 51 -1.603 -13.757 4.776 1.00 2.99 H new ATOM 0 HH12 ARG A 51 -0.783 -14.829 3.635 1.00 2.99 H new ATOM 0 HH21 ARG A 51 -2.189 -13.313 0.817 1.00 2.25 H new ATOM 0 HH22 ARG A 51 -1.112 -14.580 1.414 1.00 2.25 H new ATOM 802 N ALA A 52 -2.254 -6.655 3.091 1.00 0.06 N ATOM 803 CA ALA A 52 -1.550 -5.611 2.296 1.00 0.10 C ATOM 804 C ALA A 52 -0.800 -4.672 3.243 1.00 0.07 C ATOM 805 O ALA A 52 0.355 -4.358 3.036 1.00 0.12 O ATOM 806 CB ALA A 52 -2.573 -4.809 1.487 1.00 0.14 C ATOM 0 H ALA A 52 -3.270 -6.661 2.997 1.00 0.06 H new ATOM 0 HA ALA A 52 -0.842 -6.086 1.617 1.00 0.10 H new ATOM 0 HB1 ALA A 52 -2.058 -4.045 0.905 1.00 0.14 H new ATOM 0 HB2 ALA A 52 -3.109 -5.478 0.814 1.00 0.14 H new ATOM 0 HB3 ALA A 52 -3.281 -4.333 2.166 1.00 0.14 H new ATOM 812 N ALA A 53 -1.447 -4.222 4.283 1.00 0.03 N ATOM 813 CA ALA A 53 -0.771 -3.305 5.243 1.00 0.07 C ATOM 814 C ALA A 53 0.449 -4.008 5.842 1.00 0.05 C ATOM 815 O ALA A 53 1.523 -3.444 5.926 1.00 0.06 O ATOM 816 CB ALA A 53 -1.743 -2.929 6.361 1.00 0.12 C ATOM 0 H ALA A 53 -2.415 -4.450 4.509 1.00 0.03 H new ATOM 0 HA ALA A 53 -0.453 -2.402 4.722 1.00 0.07 H new ATOM 0 HB1 ALA A 53 -1.248 -2.258 7.063 1.00 0.12 H new ATOM 0 HB2 ALA A 53 -2.613 -2.430 5.934 1.00 0.12 H new ATOM 0 HB3 ALA A 53 -2.062 -3.830 6.884 1.00 0.12 H new ATOM 822 N THR A 54 0.294 -5.234 6.262 1.00 0.04 N ATOM 823 CA THR A 54 1.446 -5.969 6.854 1.00 0.05 C ATOM 824 C THR A 54 2.660 -5.839 5.933 1.00 0.06 C ATOM 825 O THR A 54 3.761 -5.579 6.374 1.00 0.08 O ATOM 826 CB THR A 54 1.082 -7.448 7.011 1.00 0.06 C ATOM 827 OG1 THR A 54 -0.165 -7.558 7.683 1.00 0.05 O ATOM 828 CG2 THR A 54 2.166 -8.159 7.822 1.00 0.09 C ATOM 0 H THR A 54 -0.580 -5.758 6.221 1.00 0.04 H new ATOM 0 HA THR A 54 1.683 -5.547 7.831 1.00 0.05 H new ATOM 0 HB THR A 54 1.007 -7.911 6.027 1.00 0.06 H new ATOM 0 HG1 THR A 54 -0.400 -8.504 7.783 1.00 0.05 H new ATOM 0 HG21 THR A 54 1.906 -9.212 7.933 1.00 0.09 H new ATOM 0 HG22 THR A 54 3.122 -8.074 7.305 1.00 0.09 H new ATOM 0 HG23 THR A 54 2.244 -7.699 8.807 1.00 0.09 H new ATOM 836 N VAL A 55 2.467 -6.014 4.653 1.00 0.05 N ATOM 837 CA VAL A 55 3.609 -5.897 3.705 1.00 0.07 C ATOM 838 C VAL A 55 4.147 -4.466 3.730 1.00 0.08 C ATOM 839 O VAL A 55 5.276 -4.222 4.109 1.00 0.12 O ATOM 840 CB VAL A 55 3.135 -6.240 2.291 1.00 0.07 C ATOM 841 CG1 VAL A 55 4.269 -5.992 1.297 1.00 0.22 C ATOM 842 CG2 VAL A 55 2.722 -7.713 2.236 1.00 0.16 C ATOM 0 H VAL A 55 1.568 -6.233 4.224 1.00 0.05 H new ATOM 0 HA VAL A 55 4.399 -6.587 4.000 1.00 0.07 H new ATOM 0 HB VAL A 55 2.282 -5.612 2.032 1.00 0.07 H new ATOM 0 HG11 VAL A 55 3.930 -6.237 0.290 1.00 0.22 H new ATOM 0 HG12 VAL A 55 4.564 -4.943 1.336 1.00 0.22 H new ATOM 0 HG13 VAL A 55 5.123 -6.619 1.555 1.00 0.22 H new ATOM 0 HG21 VAL A 55 2.384 -7.959 1.229 1.00 0.16 H new ATOM 0 HG22 VAL A 55 3.575 -8.340 2.496 1.00 0.16 H new ATOM 0 HG23 VAL A 55 1.912 -7.891 2.944 1.00 0.16 H new ATOM 852 N LEU A 56 3.348 -3.515 3.330 1.00 0.06 N ATOM 853 CA LEU A 56 3.814 -2.101 3.331 1.00 0.08 C ATOM 854 C LEU A 56 4.476 -1.786 4.674 1.00 0.13 C ATOM 855 O LEU A 56 5.388 -0.989 4.755 1.00 0.15 O ATOM 856 CB LEU A 56 2.618 -1.168 3.123 1.00 0.08 C ATOM 857 CG LEU A 56 1.857 -1.580 1.861 1.00 0.12 C ATOM 858 CD1 LEU A 56 0.660 -0.650 1.659 1.00 0.09 C ATOM 859 CD2 LEU A 56 2.786 -1.484 0.648 1.00 0.26 C ATOM 0 H LEU A 56 2.392 -3.657 3.003 1.00 0.06 H new ATOM 0 HA LEU A 56 4.533 -1.955 2.525 1.00 0.08 H new ATOM 0 HB2 LEU A 56 1.957 -1.210 3.988 1.00 0.08 H new ATOM 0 HB3 LEU A 56 2.960 -0.137 3.033 1.00 0.08 H new ATOM 0 HG LEU A 56 1.506 -2.606 1.970 1.00 0.12 H new ATOM 0 HD11 LEU A 56 0.118 -0.944 0.760 1.00 0.09 H new ATOM 0 HD12 LEU A 56 -0.004 -0.719 2.521 1.00 0.09 H new ATOM 0 HD13 LEU A 56 1.011 0.376 1.552 1.00 0.09 H new ATOM 0 HD21 LEU A 56 2.243 -1.778 -0.250 1.00 0.26 H new ATOM 0 HD22 LEU A 56 3.138 -0.458 0.540 1.00 0.26 H new ATOM 0 HD23 LEU A 56 3.639 -2.148 0.790 1.00 0.26 H new ATOM 871 N ARG A 57 4.026 -2.408 5.728 1.00 0.15 N ATOM 872 CA ARG A 57 4.634 -2.143 7.062 1.00 0.19 C ATOM 873 C ARG A 57 6.101 -2.573 7.048 1.00 0.21 C ATOM 874 O ARG A 57 6.996 -1.769 7.224 1.00 0.25 O ATOM 875 CB ARG A 57 3.880 -2.936 8.132 1.00 0.21 C ATOM 876 CG ARG A 57 4.160 -2.330 9.508 1.00 0.15 C ATOM 877 CD ARG A 57 3.563 -3.230 10.593 1.00 0.16 C ATOM 878 NE ARG A 57 2.852 -2.390 11.599 1.00 1.24 N ATOM 879 CZ ARG A 57 2.022 -2.943 12.440 1.00 1.45 C ATOM 880 NH1 ARG A 57 1.814 -4.231 12.401 1.00 0.73 N ATOM 881 NH2 ARG A 57 1.400 -2.208 13.321 1.00 2.51 N ATOM 0 H ARG A 57 3.265 -3.087 5.724 1.00 0.15 H new ATOM 0 HA ARG A 57 4.570 -1.078 7.286 1.00 0.19 H new ATOM 0 HB2 ARG A 57 2.810 -2.918 7.926 1.00 0.21 H new ATOM 0 HB3 ARG A 57 4.191 -3.980 8.113 1.00 0.21 H new ATOM 0 HG2 ARG A 57 5.234 -2.224 9.659 1.00 0.15 H new ATOM 0 HG3 ARG A 57 3.729 -1.331 9.572 1.00 0.15 H new ATOM 0 HD2 ARG A 57 2.872 -3.946 10.147 1.00 0.16 H new ATOM 0 HD3 ARG A 57 4.351 -3.807 11.077 1.00 0.16 H new ATOM 0 HE ARG A 57 3.014 -1.383 11.630 1.00 1.24 H new ATOM 0 HH11 ARG A 57 2.300 -4.806 11.713 1.00 0.73 H new ATOM 0 HH12 ARG A 57 1.165 -4.663 13.059 1.00 0.73 H new ATOM 0 HH21 ARG A 57 1.563 -1.202 13.352 1.00 2.51 H new ATOM 0 HH22 ARG A 57 0.751 -2.640 13.979 1.00 2.51 H new ATOM 895 N GLN A 58 6.358 -3.836 6.840 1.00 0.19 N ATOM 896 CA GLN A 58 7.768 -4.317 6.816 1.00 0.21 C ATOM 897 C GLN A 58 8.482 -3.750 5.586 1.00 0.18 C ATOM 898 O GLN A 58 9.648 -4.010 5.361 1.00 0.17 O ATOM 899 CB GLN A 58 7.783 -5.846 6.754 1.00 0.22 C ATOM 900 CG GLN A 58 6.977 -6.316 5.542 1.00 0.23 C ATOM 901 CD GLN A 58 6.922 -7.844 5.526 1.00 0.72 C ATOM 902 OE1 GLN A 58 6.050 -8.439 6.127 1.00 1.84 O ATOM 903 NE2 GLN A 58 7.825 -8.511 4.859 1.00 0.50 N ATOM 0 H GLN A 58 5.652 -4.555 6.686 1.00 0.19 H new ATOM 0 HA GLN A 58 8.281 -3.983 7.718 1.00 0.21 H new ATOM 0 HB2 GLN A 58 8.809 -6.208 6.684 1.00 0.22 H new ATOM 0 HB3 GLN A 58 7.360 -6.262 7.669 1.00 0.22 H new ATOM 0 HG2 GLN A 58 5.968 -5.906 5.582 1.00 0.23 H new ATOM 0 HG3 GLN A 58 7.434 -5.949 4.623 1.00 0.23 H new ATOM 0 HE21 GLN A 58 8.558 -8.012 4.354 1.00 0.50 H new ATOM 0 HE22 GLN A 58 7.798 -9.531 4.843 1.00 0.50 H new ATOM 912 N PHE A 59 7.795 -2.980 4.788 1.00 0.18 N ATOM 913 CA PHE A 59 8.441 -2.403 3.575 1.00 0.16 C ATOM 914 C PHE A 59 9.174 -1.111 3.945 1.00 0.14 C ATOM 915 O PHE A 59 10.388 -1.052 3.938 1.00 0.13 O ATOM 916 CB PHE A 59 7.373 -2.098 2.521 1.00 0.16 C ATOM 917 CG PHE A 59 8.042 -1.706 1.226 1.00 0.13 C ATOM 918 CD1 PHE A 59 8.523 -2.694 0.359 1.00 0.12 C ATOM 919 CD2 PHE A 59 8.184 -0.353 0.893 1.00 0.12 C ATOM 920 CE1 PHE A 59 9.144 -2.330 -0.841 1.00 0.11 C ATOM 921 CE2 PHE A 59 8.805 0.011 -0.308 1.00 0.11 C ATOM 922 CZ PHE A 59 9.285 -0.978 -1.175 1.00 0.09 C ATOM 0 H PHE A 59 6.816 -2.726 4.923 1.00 0.18 H new ATOM 0 HA PHE A 59 9.155 -3.122 3.173 1.00 0.16 H new ATOM 0 HB2 PHE A 59 6.740 -2.972 2.366 1.00 0.16 H new ATOM 0 HB3 PHE A 59 6.725 -1.292 2.867 1.00 0.16 H new ATOM 0 HD1 PHE A 59 8.415 -3.737 0.616 1.00 0.12 H new ATOM 0 HD2 PHE A 59 7.814 0.410 1.563 1.00 0.12 H new ATOM 0 HE1 PHE A 59 9.515 -3.093 -1.510 1.00 0.11 H new ATOM 0 HE2 PHE A 59 8.914 1.054 -0.565 1.00 0.11 H new ATOM 0 HZ PHE A 59 9.764 -0.698 -2.101 1.00 0.09 H new ATOM 932 N TYR A 60 8.449 -0.074 4.261 1.00 0.15 N ATOM 933 CA TYR A 60 9.109 1.213 4.624 1.00 0.14 C ATOM 934 C TYR A 60 9.704 1.112 6.031 1.00 0.13 C ATOM 935 O TYR A 60 10.431 1.981 6.468 1.00 0.08 O ATOM 936 CB TYR A 60 8.081 2.346 4.584 1.00 0.15 C ATOM 937 CG TYR A 60 7.018 2.108 5.630 1.00 0.14 C ATOM 938 CD1 TYR A 60 7.264 2.439 6.969 1.00 0.13 C ATOM 939 CD2 TYR A 60 5.787 1.553 5.261 1.00 0.13 C ATOM 940 CE1 TYR A 60 6.278 2.217 7.937 1.00 0.12 C ATOM 941 CE2 TYR A 60 4.800 1.331 6.230 1.00 0.12 C ATOM 942 CZ TYR A 60 5.047 1.663 7.568 1.00 0.11 C ATOM 943 OH TYR A 60 4.075 1.444 8.522 1.00 0.10 O ATOM 0 H TYR A 60 7.429 -0.061 4.284 1.00 0.15 H new ATOM 0 HA TYR A 60 9.906 1.420 3.910 1.00 0.14 H new ATOM 0 HB2 TYR A 60 8.573 3.302 4.763 1.00 0.15 H new ATOM 0 HB3 TYR A 60 7.626 2.402 3.595 1.00 0.15 H new ATOM 0 HD1 TYR A 60 8.214 2.865 7.254 1.00 0.13 H new ATOM 0 HD2 TYR A 60 5.598 1.296 4.229 1.00 0.13 H new ATOM 0 HE1 TYR A 60 6.467 2.473 8.969 1.00 0.12 H new ATOM 0 HE2 TYR A 60 3.850 0.904 5.946 1.00 0.12 H new ATOM 0 HH TYR A 60 3.346 2.088 8.400 1.00 0.10 H new ATOM 953 N SER A 61 9.402 0.062 6.743 1.00 0.20 N ATOM 954 CA SER A 61 9.954 -0.083 8.120 1.00 0.18 C ATOM 955 C SER A 61 11.311 -0.788 8.056 1.00 0.17 C ATOM 956 O SER A 61 12.233 -0.446 8.769 1.00 0.16 O ATOM 957 CB SER A 61 8.991 -0.910 8.973 1.00 0.28 C ATOM 958 OG SER A 61 7.704 -0.306 8.946 1.00 0.28 O ATOM 0 H SER A 61 8.799 -0.700 6.433 1.00 0.20 H new ATOM 0 HA SER A 61 10.078 0.904 8.565 1.00 0.18 H new ATOM 0 HB2 SER A 61 8.935 -1.930 8.593 1.00 0.28 H new ATOM 0 HB3 SER A 61 9.356 -0.971 9.998 1.00 0.28 H new ATOM 0 HG SER A 61 7.249 -0.544 8.111 1.00 0.28 H new ATOM 964 N HIS A 62 11.442 -1.771 7.208 1.00 0.22 N ATOM 965 CA HIS A 62 12.739 -2.496 7.102 1.00 0.27 C ATOM 966 C HIS A 62 13.623 -1.816 6.054 1.00 0.24 C ATOM 967 O HIS A 62 14.821 -2.016 6.015 1.00 0.47 O ATOM 968 CB HIS A 62 12.481 -3.947 6.686 1.00 0.35 C ATOM 969 CG HIS A 62 11.619 -4.618 7.720 1.00 0.88 C ATOM 970 ND1 HIS A 62 10.765 -3.906 8.547 1.00 1.75 N ATOM 971 CD2 HIS A 62 11.470 -5.937 8.072 1.00 1.21 C ATOM 972 CE1 HIS A 62 10.146 -4.792 9.349 1.00 1.97 C ATOM 973 NE2 HIS A 62 10.538 -6.044 9.101 1.00 1.56 N ATOM 0 H HIS A 62 10.707 -2.103 6.584 1.00 0.22 H new ATOM 0 HA HIS A 62 13.243 -2.478 8.068 1.00 0.27 H new ATOM 0 HB2 HIS A 62 11.990 -3.976 5.713 1.00 0.35 H new ATOM 0 HB3 HIS A 62 13.426 -4.481 6.582 1.00 0.35 H new ATOM 0 HD2 HIS A 62 11.996 -6.765 7.620 1.00 1.21 H new ATOM 0 HE1 HIS A 62 9.420 -4.523 10.102 1.00 1.97 H new ATOM 0 HE2 HIS A 62 10.223 -6.896 9.565 1.00 1.56 H new ATOM 981 N HIS A 63 13.043 -1.016 5.201 1.00 0.42 N ATOM 982 CA HIS A 63 13.852 -0.328 4.157 1.00 0.40 C ATOM 983 C HIS A 63 14.296 1.043 4.671 1.00 0.40 C ATOM 984 O HIS A 63 15.457 1.394 4.608 1.00 0.41 O ATOM 985 CB HIS A 63 13.009 -0.150 2.893 1.00 0.37 C ATOM 986 CG HIS A 63 12.681 -1.499 2.316 1.00 0.41 C ATOM 987 ND1 HIS A 63 13.606 -2.531 2.276 1.00 0.55 N ATOM 988 CD2 HIS A 63 11.534 -2.001 1.751 1.00 0.44 C ATOM 989 CE1 HIS A 63 13.005 -3.592 1.706 1.00 0.55 C ATOM 990 NE2 HIS A 63 11.741 -3.323 1.367 1.00 0.46 N ATOM 0 H HIS A 63 12.044 -0.810 5.183 1.00 0.42 H new ATOM 0 HA HIS A 63 14.731 -0.930 3.927 1.00 0.40 H new ATOM 0 HB2 HIS A 63 12.092 0.390 3.128 1.00 0.37 H new ATOM 0 HB3 HIS A 63 13.553 0.448 2.162 1.00 0.37 H new ATOM 0 HD2 HIS A 63 10.612 -1.453 1.624 1.00 0.44 H new ATOM 0 HE1 HIS A 63 13.486 -4.545 1.543 1.00 0.55 H new ATOM 0 HE2 HIS A 63 11.072 -3.951 0.922 1.00 0.46 H new ATOM 998 N GLU A 64 13.380 1.821 5.181 1.00 0.39 N ATOM 999 CA GLU A 64 13.751 3.168 5.700 1.00 0.39 C ATOM 1000 C GLU A 64 14.990 3.048 6.589 1.00 0.42 C ATOM 1001 O GLU A 64 15.730 3.995 6.769 1.00 0.49 O ATOM 1002 CB GLU A 64 12.590 3.739 6.516 1.00 0.40 C ATOM 1003 CG GLU A 64 12.993 5.094 7.101 1.00 0.42 C ATOM 1004 CD GLU A 64 13.699 4.883 8.441 1.00 1.13 C ATOM 1005 OE1 GLU A 64 13.149 4.182 9.274 1.00 1.51 O ATOM 1006 OE2 GLU A 64 14.779 5.425 8.611 1.00 2.12 O ATOM 0 H GLU A 64 12.392 1.582 5.261 1.00 0.39 H new ATOM 0 HA GLU A 64 13.967 3.833 4.863 1.00 0.39 H new ATOM 0 HB2 GLU A 64 11.709 3.852 5.884 1.00 0.40 H new ATOM 0 HB3 GLU A 64 12.322 3.051 7.317 1.00 0.40 H new ATOM 0 HG2 GLU A 64 13.652 5.619 6.410 1.00 0.42 H new ATOM 0 HG3 GLU A 64 12.111 5.720 7.237 1.00 0.42 H new ATOM 1013 N LYS A 65 15.221 1.891 7.147 1.00 0.39 N ATOM 1014 CA LYS A 65 16.412 1.708 8.024 1.00 0.43 C ATOM 1015 C LYS A 65 17.575 1.157 7.198 1.00 0.44 C ATOM 1016 O LYS A 65 18.728 1.319 7.545 1.00 0.51 O ATOM 1017 CB LYS A 65 16.072 0.726 9.148 1.00 0.51 C ATOM 1018 CG LYS A 65 14.945 1.301 10.006 1.00 0.75 C ATOM 1019 CD LYS A 65 14.480 0.247 11.013 1.00 0.83 C ATOM 1020 CE LYS A 65 13.460 0.869 11.969 1.00 1.10 C ATOM 1021 NZ LYS A 65 12.243 0.009 12.023 1.00 2.19 N ATOM 0 H LYS A 65 14.635 1.064 7.033 1.00 0.39 H new ATOM 0 HA LYS A 65 16.697 2.668 8.455 1.00 0.43 H new ATOM 0 HB2 LYS A 65 15.770 -0.233 8.728 1.00 0.51 H new ATOM 0 HB3 LYS A 65 16.953 0.541 9.763 1.00 0.51 H new ATOM 0 HG2 LYS A 65 15.291 2.192 10.530 1.00 0.75 H new ATOM 0 HG3 LYS A 65 14.112 1.607 9.373 1.00 0.75 H new ATOM 0 HD2 LYS A 65 14.035 -0.599 10.490 1.00 0.83 H new ATOM 0 HD3 LYS A 65 15.332 -0.137 11.573 1.00 0.83 H new ATOM 0 HE2 LYS A 65 13.892 0.969 12.965 1.00 1.10 H new ATOM 0 HE3 LYS A 65 13.195 1.872 11.634 1.00 1.10 H new ATOM 0 HZ1 LYS A 65 11.453 0.551 12.427 1.00 2.19 H new ATOM 0 HZ2 LYS A 65 11.995 -0.302 11.062 1.00 2.19 H new ATOM 0 HZ3 LYS A 65 12.432 -0.823 12.618 1.00 2.19 H new ATOM 1035 N ASP A 66 17.282 0.504 6.106 1.00 0.42 N ATOM 1036 CA ASP A 66 18.371 -0.058 5.258 1.00 0.43 C ATOM 1037 C ASP A 66 18.956 1.049 4.380 1.00 0.39 C ATOM 1038 O ASP A 66 18.288 2.006 4.045 1.00 0.45 O ATOM 1039 CB ASP A 66 17.805 -1.169 4.371 1.00 0.43 C ATOM 1040 CG ASP A 66 18.926 -2.138 3.989 1.00 0.30 C ATOM 1041 OD1 ASP A 66 19.791 -1.740 3.227 1.00 1.28 O ATOM 1042 OD2 ASP A 66 18.899 -3.261 4.465 1.00 0.82 O ATOM 0 H ASP A 66 16.336 0.336 5.765 1.00 0.42 H new ATOM 0 HA ASP A 66 19.154 -0.467 5.896 1.00 0.43 H new ATOM 0 HB2 ASP A 66 17.013 -1.702 4.898 1.00 0.43 H new ATOM 0 HB3 ASP A 66 17.359 -0.741 3.474 1.00 0.43 H new ATOM 1047 N THR A 67 20.201 0.926 4.004 1.00 0.37 N ATOM 1048 CA THR A 67 20.829 1.972 3.148 1.00 0.36 C ATOM 1049 C THR A 67 20.708 1.570 1.676 1.00 0.34 C ATOM 1050 O THR A 67 21.628 1.741 0.900 1.00 0.36 O ATOM 1051 CB THR A 67 22.308 2.111 3.518 1.00 0.44 C ATOM 1052 OG1 THR A 67 22.882 0.820 3.666 1.00 1.18 O ATOM 1053 CG2 THR A 67 22.436 2.883 4.832 1.00 0.70 C ATOM 0 H THR A 67 20.810 0.146 4.253 1.00 0.37 H new ATOM 0 HA THR A 67 20.322 2.924 3.307 1.00 0.36 H new ATOM 0 HB THR A 67 22.831 2.652 2.729 1.00 0.44 H new ATOM 0 HG1 THR A 67 23.829 0.908 3.901 1.00 1.18 H new ATOM 0 HG21 THR A 67 23.489 2.982 5.095 1.00 0.70 H new ATOM 0 HG22 THR A 67 21.997 3.874 4.716 1.00 0.70 H new ATOM 0 HG23 THR A 67 21.914 2.345 5.623 1.00 0.70 H new ATOM 1061 N ARG A 68 19.580 1.039 1.287 1.00 0.30 N ATOM 1062 CA ARG A 68 19.398 0.626 -0.134 1.00 0.28 C ATOM 1063 C ARG A 68 18.699 1.747 -0.906 1.00 0.28 C ATOM 1064 O ARG A 68 19.209 2.248 -1.888 1.00 0.28 O ATOM 1065 CB ARG A 68 18.542 -0.641 -0.190 1.00 0.26 C ATOM 1066 CG ARG A 68 19.332 -1.816 0.393 1.00 0.36 C ATOM 1067 CD ARG A 68 19.787 -2.738 -0.740 1.00 0.20 C ATOM 1068 NE ARG A 68 20.363 -1.922 -1.845 1.00 1.55 N ATOM 1069 CZ ARG A 68 21.081 -2.493 -2.773 1.00 1.94 C ATOM 1070 NH1 ARG A 68 21.299 -3.778 -2.730 1.00 1.25 N ATOM 1071 NH2 ARG A 68 21.583 -1.777 -3.743 1.00 3.36 N ATOM 0 H ARG A 68 18.776 0.873 1.893 1.00 0.30 H new ATOM 0 HA ARG A 68 20.372 0.428 -0.583 1.00 0.28 H new ATOM 0 HB2 ARG A 68 17.619 -0.495 0.372 1.00 0.26 H new ATOM 0 HB3 ARG A 68 18.257 -0.855 -1.220 1.00 0.26 H new ATOM 0 HG2 ARG A 68 20.196 -1.448 0.946 1.00 0.36 H new ATOM 0 HG3 ARG A 68 18.713 -2.369 1.100 1.00 0.36 H new ATOM 0 HD2 ARG A 68 20.530 -3.445 -0.371 1.00 0.20 H new ATOM 0 HD3 ARG A 68 18.944 -3.323 -1.107 1.00 0.20 H new ATOM 0 HE ARG A 68 20.196 -0.916 -1.876 1.00 1.55 H new ATOM 0 HH11 ARG A 68 20.908 -4.336 -1.971 1.00 1.25 H new ATOM 0 HH12 ARG A 68 21.860 -4.225 -3.455 1.00 1.25 H new ATOM 0 HH21 ARG A 68 21.414 -0.772 -3.775 1.00 3.36 H new ATOM 0 HH22 ARG A 68 22.144 -2.223 -4.468 1.00 3.36 H new ATOM 1085 N CYS A 69 17.534 2.142 -0.472 1.00 0.28 N ATOM 1086 CA CYS A 69 16.800 3.228 -1.181 1.00 0.29 C ATOM 1087 C CYS A 69 17.276 4.589 -0.666 1.00 0.32 C ATOM 1088 O CYS A 69 16.636 5.600 -0.875 1.00 0.42 O ATOM 1089 CB CYS A 69 15.300 3.077 -0.925 1.00 0.29 C ATOM 1090 SG CYS A 69 14.850 1.327 -1.028 1.00 0.38 S ATOM 0 H CYS A 69 17.058 1.759 0.345 1.00 0.28 H new ATOM 0 HA CYS A 69 16.994 3.161 -2.251 1.00 0.29 H new ATOM 0 HB2 CYS A 69 15.045 3.473 0.058 1.00 0.29 H new ATOM 0 HB3 CYS A 69 14.734 3.654 -1.657 1.00 0.29 H new ATOM 1095 N LEU A 70 18.397 4.622 0.003 1.00 0.25 N ATOM 1096 CA LEU A 70 18.915 5.917 0.528 1.00 0.29 C ATOM 1097 C LEU A 70 19.892 6.518 -0.485 1.00 0.30 C ATOM 1098 O LEU A 70 19.736 7.639 -0.924 1.00 0.25 O ATOM 1099 CB LEU A 70 19.641 5.678 1.856 1.00 0.31 C ATOM 1100 CG LEU A 70 18.633 5.684 3.012 1.00 0.36 C ATOM 1101 CD1 LEU A 70 19.324 5.219 4.295 1.00 0.32 C ATOM 1102 CD2 LEU A 70 18.074 7.097 3.226 1.00 0.60 C ATOM 0 H LEU A 70 18.976 3.808 0.208 1.00 0.25 H new ATOM 0 HA LEU A 70 18.084 6.604 0.688 1.00 0.29 H new ATOM 0 HB2 LEU A 70 20.167 4.724 1.826 1.00 0.31 H new ATOM 0 HB3 LEU A 70 20.393 6.452 2.014 1.00 0.31 H new ATOM 0 HG LEU A 70 17.813 5.009 2.765 1.00 0.36 H new ATOM 0 HD11 LEU A 70 18.607 5.223 5.116 1.00 0.32 H new ATOM 0 HD12 LEU A 70 19.709 4.209 4.155 1.00 0.32 H new ATOM 0 HD13 LEU A 70 20.148 5.893 4.529 1.00 0.32 H new ATOM 0 HD21 LEU A 70 17.360 7.085 4.050 1.00 0.60 H new ATOM 0 HD22 LEU A 70 18.890 7.779 3.463 1.00 0.60 H new ATOM 0 HD23 LEU A 70 17.574 7.432 2.317 1.00 0.60 H new ATOM 1114 N GLY A 71 20.901 5.778 -0.859 1.00 0.36 N ATOM 1115 CA GLY A 71 21.888 6.305 -1.843 1.00 0.38 C ATOM 1116 C GLY A 71 22.861 7.249 -1.136 1.00 0.37 C ATOM 1117 O GLY A 71 23.052 7.173 0.062 1.00 0.44 O ATOM 0 H GLY A 71 21.084 4.832 -0.525 1.00 0.36 H new ATOM 0 HA2 GLY A 71 22.434 5.481 -2.303 1.00 0.38 H new ATOM 0 HA3 GLY A 71 21.371 6.832 -2.645 1.00 0.38 H new ATOM 1121 N ALA A 72 23.478 8.137 -1.871 1.00 0.36 N ATOM 1122 CA ALA A 72 24.444 9.092 -1.251 1.00 0.34 C ATOM 1123 C ALA A 72 24.242 10.487 -1.849 1.00 0.32 C ATOM 1124 O ALA A 72 24.924 11.427 -1.495 1.00 0.70 O ATOM 1125 CB ALA A 72 25.873 8.621 -1.531 1.00 0.48 C ATOM 0 H ALA A 72 23.354 8.242 -2.878 1.00 0.36 H new ATOM 0 HA ALA A 72 24.275 9.131 -0.175 1.00 0.34 H new ATOM 0 HB1 ALA A 72 26.580 9.317 -1.079 1.00 0.48 H new ATOM 0 HB2 ALA A 72 26.019 7.628 -1.106 1.00 0.48 H new ATOM 0 HB3 ALA A 72 26.039 8.583 -2.608 1.00 0.48 H new ATOM 1131 N THR A 73 23.311 10.628 -2.753 1.00 0.33 N ATOM 1132 CA THR A 73 23.070 11.963 -3.369 1.00 0.24 C ATOM 1133 C THR A 73 22.130 12.775 -2.475 1.00 0.15 C ATOM 1134 O THR A 73 21.438 12.236 -1.634 1.00 0.19 O ATOM 1135 CB THR A 73 22.431 11.781 -4.748 1.00 0.28 C ATOM 1136 OG1 THR A 73 22.568 10.427 -5.157 1.00 0.83 O ATOM 1137 CG2 THR A 73 23.126 12.694 -5.760 1.00 0.54 C ATOM 0 H THR A 73 22.708 9.878 -3.091 1.00 0.33 H new ATOM 0 HA THR A 73 24.018 12.491 -3.474 1.00 0.24 H new ATOM 0 HB THR A 73 21.374 12.040 -4.695 1.00 0.28 H new ATOM 0 HG1 THR A 73 22.158 10.309 -6.039 1.00 0.83 H new ATOM 0 HG21 THR A 73 22.670 12.563 -6.741 1.00 0.54 H new ATOM 0 HG22 THR A 73 23.020 13.732 -5.446 1.00 0.54 H new ATOM 0 HG23 THR A 73 24.184 12.438 -5.815 1.00 0.54 H new ATOM 1145 N ALA A 74 22.100 14.069 -2.650 1.00 0.10 N ATOM 1146 CA ALA A 74 21.206 14.913 -1.809 1.00 0.05 C ATOM 1147 C ALA A 74 19.820 14.987 -2.454 1.00 0.08 C ATOM 1148 O ALA A 74 18.808 14.923 -1.784 1.00 0.12 O ATOM 1149 CB ALA A 74 21.792 16.322 -1.697 1.00 0.07 C ATOM 0 H ALA A 74 22.656 14.577 -3.338 1.00 0.10 H new ATOM 0 HA ALA A 74 21.121 14.474 -0.815 1.00 0.05 H new ATOM 0 HB1 ALA A 74 21.138 16.940 -1.082 1.00 0.07 H new ATOM 0 HB2 ALA A 74 22.779 16.270 -1.238 1.00 0.07 H new ATOM 0 HB3 ALA A 74 21.876 16.761 -2.691 1.00 0.07 H new ATOM 1155 N GLN A 75 19.764 15.121 -3.751 1.00 0.30 N ATOM 1156 CA GLN A 75 18.444 15.199 -4.437 1.00 0.36 C ATOM 1157 C GLN A 75 17.621 13.953 -4.101 1.00 0.39 C ATOM 1158 O GLN A 75 16.445 14.036 -3.805 1.00 0.51 O ATOM 1159 CB GLN A 75 18.658 15.276 -5.950 1.00 0.30 C ATOM 1160 CG GLN A 75 19.246 13.956 -6.452 1.00 0.04 C ATOM 1161 CD GLN A 75 19.870 14.167 -7.833 1.00 0.40 C ATOM 1162 OE1 GLN A 75 20.404 15.221 -8.116 1.00 0.78 O ATOM 1163 NE2 GLN A 75 19.826 13.202 -8.710 1.00 1.51 N ATOM 0 H GLN A 75 20.576 15.180 -4.365 1.00 0.30 H new ATOM 0 HA GLN A 75 17.912 16.089 -4.100 1.00 0.36 H new ATOM 0 HB2 GLN A 75 17.712 15.479 -6.452 1.00 0.30 H new ATOM 0 HB3 GLN A 75 19.329 16.100 -6.191 1.00 0.30 H new ATOM 0 HG2 GLN A 75 19.999 13.592 -5.753 1.00 0.04 H new ATOM 0 HG3 GLN A 75 18.467 13.196 -6.506 1.00 0.04 H new ATOM 0 HE21 GLN A 75 19.378 12.317 -8.473 1.00 1.51 H new ATOM 0 HE22 GLN A 75 20.240 13.332 -9.633 1.00 1.51 H new ATOM 1172 N GLN A 76 18.229 12.799 -4.143 1.00 0.33 N ATOM 1173 CA GLN A 76 17.481 11.551 -3.826 1.00 0.42 C ATOM 1174 C GLN A 76 17.102 11.549 -2.344 1.00 0.59 C ATOM 1175 O GLN A 76 16.100 10.987 -1.949 1.00 0.73 O ATOM 1176 CB GLN A 76 18.362 10.336 -4.127 1.00 0.39 C ATOM 1177 CG GLN A 76 17.517 9.063 -4.062 1.00 0.68 C ATOM 1178 CD GLN A 76 18.413 7.843 -4.284 1.00 1.10 C ATOM 1179 OE1 GLN A 76 18.110 6.761 -3.823 1.00 1.98 O ATOM 1180 NE2 GLN A 76 19.512 7.973 -4.977 1.00 1.83 N ATOM 0 H GLN A 76 19.211 12.667 -4.383 1.00 0.33 H new ATOM 0 HA GLN A 76 16.578 11.504 -4.434 1.00 0.42 H new ATOM 0 HB2 GLN A 76 18.812 10.436 -5.115 1.00 0.39 H new ATOM 0 HB3 GLN A 76 19.179 10.279 -3.408 1.00 0.39 H new ATOM 0 HG2 GLN A 76 17.021 8.992 -3.094 1.00 0.68 H new ATOM 0 HG3 GLN A 76 16.734 9.095 -4.819 1.00 0.68 H new ATOM 0 HE21 GLN A 76 19.766 8.882 -5.364 1.00 1.83 H new ATOM 0 HE22 GLN A 76 20.116 7.166 -5.131 1.00 1.83 H new ATOM 1189 N PHE A 77 17.896 12.176 -1.520 1.00 0.57 N ATOM 1190 CA PHE A 77 17.583 12.213 -0.064 1.00 0.73 C ATOM 1191 C PHE A 77 16.151 12.713 0.136 1.00 0.71 C ATOM 1192 O PHE A 77 15.276 11.974 0.539 1.00 0.78 O ATOM 1193 CB PHE A 77 18.557 13.156 0.643 1.00 0.92 C ATOM 1194 CG PHE A 77 18.503 12.917 2.132 1.00 0.74 C ATOM 1195 CD1 PHE A 77 19.076 11.762 2.677 1.00 0.71 C ATOM 1196 CD2 PHE A 77 17.880 13.851 2.969 1.00 0.66 C ATOM 1197 CE1 PHE A 77 19.027 11.540 4.058 1.00 0.61 C ATOM 1198 CE2 PHE A 77 17.830 13.629 4.350 1.00 0.51 C ATOM 1199 CZ PHE A 77 18.403 12.473 4.895 1.00 0.49 C ATOM 0 H PHE A 77 18.749 12.665 -1.793 1.00 0.57 H new ATOM 0 HA PHE A 77 17.680 11.211 0.355 1.00 0.73 H new ATOM 0 HB2 PHE A 77 19.570 12.992 0.275 1.00 0.92 H new ATOM 0 HB3 PHE A 77 18.301 14.192 0.421 1.00 0.92 H new ATOM 0 HD1 PHE A 77 19.556 11.042 2.031 1.00 0.71 H new ATOM 0 HD2 PHE A 77 17.438 14.742 2.549 1.00 0.66 H new ATOM 0 HE1 PHE A 77 19.470 10.649 4.478 1.00 0.61 H new ATOM 0 HE2 PHE A 77 17.349 14.349 4.996 1.00 0.51 H new ATOM 0 HZ PHE A 77 18.364 12.301 5.961 1.00 0.49 H new ATOM 1209 N HIS A 78 15.902 13.962 -0.143 1.00 0.75 N ATOM 1210 CA HIS A 78 14.524 14.501 0.033 1.00 0.72 C ATOM 1211 C HIS A 78 13.545 13.682 -0.810 1.00 0.62 C ATOM 1212 O HIS A 78 12.407 13.482 -0.435 1.00 0.92 O ATOM 1213 CB HIS A 78 14.487 15.964 -0.415 1.00 0.74 C ATOM 1214 CG HIS A 78 13.481 16.717 0.412 1.00 0.74 C ATOM 1215 ND1 HIS A 78 13.787 17.915 1.038 1.00 1.05 N ATOM 1216 CD2 HIS A 78 12.170 16.454 0.725 1.00 0.93 C ATOM 1217 CE1 HIS A 78 12.683 18.326 1.689 1.00 1.11 C ATOM 1218 NE2 HIS A 78 11.668 17.472 1.531 1.00 0.84 N ATOM 0 H HIS A 78 16.591 14.632 -0.485 1.00 0.75 H new ATOM 0 HA HIS A 78 14.239 14.437 1.083 1.00 0.72 H new ATOM 0 HB2 HIS A 78 15.474 16.414 -0.305 1.00 0.74 H new ATOM 0 HB3 HIS A 78 14.224 16.025 -1.471 1.00 0.74 H new ATOM 0 HD2 HIS A 78 11.613 15.589 0.396 1.00 0.93 H new ATOM 0 HE1 HIS A 78 12.625 19.235 2.269 1.00 1.11 H new ATOM 0 HE2 HIS A 78 10.727 17.549 1.918 1.00 0.84 H new ATOM 1226 N ARG A 79 13.978 13.206 -1.945 1.00 0.23 N ATOM 1227 CA ARG A 79 13.070 12.400 -2.807 1.00 0.19 C ATOM 1228 C ARG A 79 12.767 11.067 -2.120 1.00 0.20 C ATOM 1229 O ARG A 79 11.864 10.350 -2.504 1.00 0.40 O ATOM 1230 CB ARG A 79 13.744 12.137 -4.155 1.00 0.26 C ATOM 1231 CG ARG A 79 12.682 12.067 -5.254 1.00 0.26 C ATOM 1232 CD ARG A 79 13.241 11.307 -6.457 1.00 0.54 C ATOM 1233 NE ARG A 79 14.699 11.584 -6.588 1.00 2.21 N ATOM 1234 CZ ARG A 79 15.444 10.825 -7.344 1.00 3.01 C ATOM 1235 NH1 ARG A 79 14.910 9.821 -7.987 1.00 2.48 N ATOM 1236 NH2 ARG A 79 16.721 11.068 -7.459 1.00 4.50 N ATOM 0 H ARG A 79 14.920 13.340 -2.312 1.00 0.23 H new ATOM 0 HA ARG A 79 12.141 12.947 -2.967 1.00 0.19 H new ATOM 0 HB2 ARG A 79 14.459 12.929 -4.376 1.00 0.26 H new ATOM 0 HB3 ARG A 79 14.305 11.203 -4.117 1.00 0.26 H new ATOM 0 HG2 ARG A 79 11.788 11.569 -4.879 1.00 0.26 H new ATOM 0 HG3 ARG A 79 12.385 13.073 -5.552 1.00 0.26 H new ATOM 0 HD2 ARG A 79 13.073 10.237 -6.334 1.00 0.54 H new ATOM 0 HD3 ARG A 79 12.720 11.609 -7.365 1.00 0.54 H new ATOM 0 HE ARG A 79 15.115 12.368 -6.086 1.00 2.21 H new ATOM 0 HH11 ARG A 79 13.912 9.631 -7.898 1.00 2.48 H new ATOM 0 HH12 ARG A 79 15.491 9.227 -8.578 1.00 2.48 H new ATOM 0 HH21 ARG A 79 17.138 11.852 -6.958 1.00 4.50 H new ATOM 0 HH22 ARG A 79 17.302 10.474 -8.050 1.00 4.50 H new ATOM 1250 N HIS A 80 13.515 10.730 -1.104 1.00 0.43 N ATOM 1251 CA HIS A 80 13.269 9.444 -0.394 1.00 0.47 C ATOM 1252 C HIS A 80 12.271 9.671 0.745 1.00 0.44 C ATOM 1253 O HIS A 80 11.323 8.931 0.907 1.00 0.32 O ATOM 1254 CB HIS A 80 14.586 8.914 0.177 1.00 0.66 C ATOM 1255 CG HIS A 80 14.323 7.662 0.968 1.00 0.49 C ATOM 1256 ND1 HIS A 80 13.813 6.512 0.386 1.00 0.56 N ATOM 1257 CD2 HIS A 80 14.495 7.365 2.298 1.00 0.36 C ATOM 1258 CE1 HIS A 80 13.699 5.585 1.355 1.00 0.40 C ATOM 1259 NE2 HIS A 80 14.101 6.053 2.539 1.00 0.21 N ATOM 0 H HIS A 80 14.284 11.289 -0.736 1.00 0.43 H new ATOM 0 HA HIS A 80 12.860 8.716 -1.095 1.00 0.47 H new ATOM 0 HB2 HIS A 80 15.287 8.706 -0.631 1.00 0.66 H new ATOM 0 HB3 HIS A 80 15.048 9.668 0.813 1.00 0.66 H new ATOM 0 HD2 HIS A 80 14.878 8.046 3.043 1.00 0.36 H new ATOM 0 HE1 HIS A 80 13.327 4.584 1.194 1.00 0.40 H new ATOM 0 HE2 HIS A 80 14.116 5.555 3.429 1.00 0.21 H new ATOM 1267 N LYS A 81 12.475 10.691 1.537 1.00 0.62 N ATOM 1268 CA LYS A 81 11.532 10.958 2.660 1.00 0.71 C ATOM 1269 C LYS A 81 10.118 11.144 2.108 1.00 0.65 C ATOM 1270 O LYS A 81 9.149 10.719 2.703 1.00 0.76 O ATOM 1271 CB LYS A 81 11.962 12.226 3.402 1.00 0.84 C ATOM 1272 CG LYS A 81 13.097 11.893 4.374 1.00 1.08 C ATOM 1273 CD LYS A 81 14.210 11.150 3.632 1.00 1.49 C ATOM 1274 CE LYS A 81 15.468 11.113 4.500 1.00 1.55 C ATOM 1275 NZ LYS A 81 16.583 10.489 3.734 1.00 3.40 N ATOM 0 H LYS A 81 13.251 11.348 1.454 1.00 0.62 H new ATOM 0 HA LYS A 81 11.544 10.114 3.350 1.00 0.71 H new ATOM 0 HB2 LYS A 81 12.290 12.983 2.689 1.00 0.84 H new ATOM 0 HB3 LYS A 81 11.116 12.646 3.946 1.00 0.84 H new ATOM 0 HG2 LYS A 81 13.490 12.808 4.817 1.00 1.08 H new ATOM 0 HG3 LYS A 81 12.720 11.280 5.192 1.00 1.08 H new ATOM 0 HD2 LYS A 81 13.889 10.136 3.395 1.00 1.49 H new ATOM 0 HD3 LYS A 81 14.424 11.646 2.685 1.00 1.49 H new ATOM 0 HE2 LYS A 81 15.742 12.123 4.804 1.00 1.55 H new ATOM 0 HE3 LYS A 81 15.277 10.546 5.411 1.00 1.55 H new ATOM 0 HZ1 LYS A 81 17.440 11.071 3.832 1.00 3.40 H new ATOM 0 HZ2 LYS A 81 16.768 9.535 4.105 1.00 3.40 H new ATOM 0 HZ3 LYS A 81 16.321 10.425 2.730 1.00 3.40 H new ATOM 1289 N GLN A 82 9.992 11.773 0.971 1.00 0.53 N ATOM 1290 CA GLN A 82 8.639 11.982 0.384 1.00 0.60 C ATOM 1291 C GLN A 82 7.973 10.624 0.147 1.00 0.52 C ATOM 1292 O GLN A 82 6.788 10.457 0.360 1.00 0.70 O ATOM 1293 CB GLN A 82 8.769 12.725 -0.946 1.00 0.58 C ATOM 1294 CG GLN A 82 7.383 12.903 -1.571 1.00 1.32 C ATOM 1295 CD GLN A 82 7.193 14.362 -1.988 1.00 0.87 C ATOM 1296 OE1 GLN A 82 6.832 14.643 -3.112 1.00 1.62 O ATOM 1297 NE2 GLN A 82 7.425 15.311 -1.121 1.00 0.65 N ATOM 0 H GLN A 82 10.766 12.150 0.425 1.00 0.53 H new ATOM 0 HA GLN A 82 8.031 12.571 1.070 1.00 0.60 H new ATOM 0 HB2 GLN A 82 9.235 13.697 -0.787 1.00 0.58 H new ATOM 0 HB3 GLN A 82 9.416 12.168 -1.624 1.00 0.58 H new ATOM 0 HG2 GLN A 82 7.277 12.250 -2.437 1.00 1.32 H new ATOM 0 HG3 GLN A 82 6.611 12.615 -0.857 1.00 1.32 H new ATOM 0 HE21 GLN A 82 7.728 15.075 -0.176 1.00 0.65 H new ATOM 0 HE22 GLN A 82 7.303 16.288 -1.389 1.00 0.65 H new ATOM 1306 N LEU A 83 8.726 9.653 -0.293 1.00 0.27 N ATOM 1307 CA LEU A 83 8.136 8.307 -0.543 1.00 0.19 C ATOM 1308 C LEU A 83 7.659 7.711 0.784 1.00 0.21 C ATOM 1309 O LEU A 83 6.493 7.417 0.959 1.00 0.24 O ATOM 1310 CB LEU A 83 9.196 7.394 -1.163 1.00 0.05 C ATOM 1311 CG LEU A 83 8.513 6.298 -1.986 1.00 0.11 C ATOM 1312 CD1 LEU A 83 9.575 5.387 -2.604 1.00 0.20 C ATOM 1313 CD2 LEU A 83 7.601 5.469 -1.079 1.00 0.05 C ATOM 0 H LEU A 83 9.724 9.733 -0.490 1.00 0.27 H new ATOM 0 HA LEU A 83 7.292 8.397 -1.227 1.00 0.19 H new ATOM 0 HB2 LEU A 83 9.865 7.975 -1.797 1.00 0.05 H new ATOM 0 HB3 LEU A 83 9.808 6.947 -0.380 1.00 0.05 H new ATOM 0 HG LEU A 83 7.920 6.757 -2.777 1.00 0.11 H new ATOM 0 HD11 LEU A 83 9.089 4.607 -3.190 1.00 0.20 H new ATOM 0 HD12 LEU A 83 10.226 5.974 -3.251 1.00 0.20 H new ATOM 0 HD13 LEU A 83 10.168 4.930 -1.812 1.00 0.20 H new ATOM 0 HD21 LEU A 83 7.115 4.689 -1.666 1.00 0.05 H new ATOM 0 HD22 LEU A 83 8.194 5.011 -0.287 1.00 0.05 H new ATOM 0 HD23 LEU A 83 6.843 6.115 -0.637 1.00 0.05 H new ATOM 1325 N ILE A 84 8.551 7.529 1.719 1.00 0.23 N ATOM 1326 CA ILE A 84 8.148 6.953 3.033 1.00 0.30 C ATOM 1327 C ILE A 84 6.942 7.722 3.577 1.00 0.36 C ATOM 1328 O ILE A 84 6.067 7.159 4.205 1.00 0.37 O ATOM 1329 CB ILE A 84 9.313 7.069 4.021 1.00 0.33 C ATOM 1330 CG1 ILE A 84 10.611 6.620 3.341 1.00 0.28 C ATOM 1331 CG2 ILE A 84 9.044 6.186 5.240 1.00 0.41 C ATOM 1332 CD1 ILE A 84 10.394 5.270 2.653 1.00 0.27 C ATOM 0 H ILE A 84 9.542 7.754 1.630 1.00 0.23 H new ATOM 0 HA ILE A 84 7.884 5.903 2.904 1.00 0.30 H new ATOM 0 HB ILE A 84 9.411 8.106 4.341 1.00 0.33 H new ATOM 0 HG12 ILE A 84 10.926 7.365 2.610 1.00 0.28 H new ATOM 0 HG13 ILE A 84 11.410 6.539 4.078 1.00 0.28 H new ATOM 0 HG21 ILE A 84 9.874 6.271 5.941 1.00 0.41 H new ATOM 0 HG22 ILE A 84 8.124 6.509 5.727 1.00 0.41 H new ATOM 0 HG23 ILE A 84 8.942 5.148 4.922 1.00 0.41 H new ATOM 0 HD11 ILE A 84 11.319 4.954 2.171 1.00 0.27 H new ATOM 0 HD12 ILE A 84 10.099 4.527 3.394 1.00 0.27 H new ATOM 0 HD13 ILE A 84 9.609 5.366 1.903 1.00 0.27 H new ATOM 1344 N ARG A 85 6.889 9.004 3.342 1.00 0.45 N ATOM 1345 CA ARG A 85 5.740 9.807 3.846 1.00 0.53 C ATOM 1346 C ARG A 85 4.434 9.239 3.287 1.00 0.41 C ATOM 1347 O ARG A 85 3.495 8.983 4.015 1.00 0.36 O ATOM 1348 CB ARG A 85 5.898 11.262 3.394 1.00 0.69 C ATOM 1349 CG ARG A 85 5.699 12.198 4.589 1.00 0.88 C ATOM 1350 CD ARG A 85 6.914 12.102 5.518 1.00 0.65 C ATOM 1351 NE ARG A 85 6.473 11.922 6.941 1.00 1.43 N ATOM 1352 CZ ARG A 85 5.537 12.673 7.462 1.00 1.86 C ATOM 1353 NH1 ARG A 85 5.014 13.650 6.774 1.00 1.94 N ATOM 1354 NH2 ARG A 85 5.140 12.457 8.687 1.00 2.87 N ATOM 0 H ARG A 85 7.592 9.530 2.823 1.00 0.45 H new ATOM 0 HA ARG A 85 5.717 9.764 4.935 1.00 0.53 H new ATOM 0 HB2 ARG A 85 6.887 11.413 2.962 1.00 0.69 H new ATOM 0 HB3 ARG A 85 5.171 11.492 2.615 1.00 0.69 H new ATOM 0 HG2 ARG A 85 5.571 13.224 4.244 1.00 0.88 H new ATOM 0 HG3 ARG A 85 4.792 11.928 5.129 1.00 0.88 H new ATOM 0 HD2 ARG A 85 7.544 11.265 5.217 1.00 0.65 H new ATOM 0 HD3 ARG A 85 7.519 13.004 5.430 1.00 0.65 H new ATOM 0 HE ARG A 85 6.911 11.200 7.513 1.00 1.43 H new ATOM 0 HH11 ARG A 85 5.334 13.833 5.823 1.00 1.94 H new ATOM 0 HH12 ARG A 85 4.285 14.231 7.187 1.00 1.94 H new ATOM 0 HH21 ARG A 85 5.559 11.705 9.234 1.00 2.87 H new ATOM 0 HH22 ARG A 85 4.411 13.040 9.097 1.00 2.87 H new ATOM 1368 N PHE A 86 4.366 9.041 1.999 1.00 0.40 N ATOM 1369 CA PHE A 86 3.120 8.490 1.395 1.00 0.35 C ATOM 1370 C PHE A 86 2.789 7.143 2.042 1.00 0.22 C ATOM 1371 O PHE A 86 1.702 6.936 2.544 1.00 0.20 O ATOM 1372 CB PHE A 86 3.323 8.297 -0.109 1.00 0.44 C ATOM 1373 CG PHE A 86 3.168 9.625 -0.813 1.00 0.38 C ATOM 1374 CD1 PHE A 86 1.918 10.254 -0.848 1.00 0.18 C ATOM 1375 CD2 PHE A 86 4.272 10.227 -1.429 1.00 0.72 C ATOM 1376 CE1 PHE A 86 1.771 11.484 -1.499 1.00 0.12 C ATOM 1377 CE2 PHE A 86 4.125 11.458 -2.081 1.00 0.76 C ATOM 1378 CZ PHE A 86 2.875 12.086 -2.116 1.00 0.44 C ATOM 0 H PHE A 86 5.119 9.237 1.339 1.00 0.40 H new ATOM 0 HA PHE A 86 2.298 9.185 1.564 1.00 0.35 H new ATOM 0 HB2 PHE A 86 4.313 7.884 -0.303 1.00 0.44 H new ATOM 0 HB3 PHE A 86 2.597 7.581 -0.496 1.00 0.44 H new ATOM 0 HD1 PHE A 86 1.067 9.790 -0.372 1.00 0.18 H new ATOM 0 HD2 PHE A 86 5.237 9.742 -1.401 1.00 0.72 H new ATOM 0 HE1 PHE A 86 0.806 11.969 -1.526 1.00 0.12 H new ATOM 0 HE2 PHE A 86 4.976 11.922 -2.557 1.00 0.76 H new ATOM 0 HZ PHE A 86 2.761 13.035 -2.619 1.00 0.44 H new ATOM 1388 N LEU A 87 3.715 6.225 2.032 1.00 0.21 N ATOM 1389 CA LEU A 87 3.449 4.893 2.645 1.00 0.14 C ATOM 1390 C LEU A 87 2.999 5.080 4.096 1.00 0.18 C ATOM 1391 O LEU A 87 1.928 4.657 4.482 1.00 0.31 O ATOM 1392 CB LEU A 87 4.725 4.048 2.613 1.00 0.16 C ATOM 1393 CG LEU A 87 5.316 4.066 1.202 1.00 0.31 C ATOM 1394 CD1 LEU A 87 6.550 3.165 1.153 1.00 0.28 C ATOM 1395 CD2 LEU A 87 4.273 3.556 0.205 1.00 0.47 C ATOM 0 H LEU A 87 4.644 6.339 1.626 1.00 0.21 H new ATOM 0 HA LEU A 87 2.665 4.386 2.082 1.00 0.14 H new ATOM 0 HB2 LEU A 87 5.450 4.439 3.327 1.00 0.16 H new ATOM 0 HB3 LEU A 87 4.503 3.024 2.912 1.00 0.16 H new ATOM 0 HG LEU A 87 5.600 5.085 0.942 1.00 0.31 H new ATOM 0 HD11 LEU A 87 6.971 3.178 0.147 1.00 0.28 H new ATOM 0 HD12 LEU A 87 7.294 3.528 1.862 1.00 0.28 H new ATOM 0 HD13 LEU A 87 6.267 2.145 1.414 1.00 0.28 H new ATOM 0 HD21 LEU A 87 4.694 3.569 -0.800 1.00 0.47 H new ATOM 0 HD22 LEU A 87 3.988 2.537 0.466 1.00 0.47 H new ATOM 0 HD23 LEU A 87 3.393 4.199 0.238 1.00 0.47 H new ATOM 1407 N LYS A 88 3.808 5.712 4.901 1.00 0.10 N ATOM 1408 CA LYS A 88 3.425 5.924 6.325 1.00 0.21 C ATOM 1409 C LYS A 88 2.010 6.504 6.393 1.00 0.14 C ATOM 1410 O LYS A 88 1.331 6.390 7.393 1.00 0.14 O ATOM 1411 CB LYS A 88 4.408 6.899 6.977 1.00 0.32 C ATOM 1412 CG LYS A 88 5.523 6.113 7.671 1.00 0.45 C ATOM 1413 CD LYS A 88 6.558 7.086 8.237 1.00 0.89 C ATOM 1414 CE LYS A 88 7.147 6.514 9.527 1.00 0.56 C ATOM 1415 NZ LYS A 88 7.663 5.139 9.271 1.00 1.36 N ATOM 0 H LYS A 88 4.717 6.090 4.634 1.00 0.10 H new ATOM 0 HA LYS A 88 3.452 4.971 6.854 1.00 0.21 H new ATOM 0 HB2 LYS A 88 4.832 7.563 6.224 1.00 0.32 H new ATOM 0 HB3 LYS A 88 3.888 7.528 7.700 1.00 0.32 H new ATOM 0 HG2 LYS A 88 5.107 5.502 8.472 1.00 0.45 H new ATOM 0 HG3 LYS A 88 5.997 5.432 6.964 1.00 0.45 H new ATOM 0 HD2 LYS A 88 7.350 7.256 7.507 1.00 0.89 H new ATOM 0 HD3 LYS A 88 6.094 8.052 8.434 1.00 0.89 H new ATOM 0 HE2 LYS A 88 7.952 7.155 9.887 1.00 0.56 H new ATOM 0 HE3 LYS A 88 6.386 6.489 10.307 1.00 0.56 H new ATOM 0 HZ1 LYS A 88 8.281 4.848 10.056 1.00 1.36 H new ATOM 0 HZ2 LYS A 88 6.864 4.477 9.196 1.00 1.36 H new ATOM 0 HZ3 LYS A 88 8.204 5.131 8.383 1.00 1.36 H new ATOM 1429 N ARG A 89 1.562 7.127 5.337 1.00 0.10 N ATOM 1430 CA ARG A 89 0.192 7.714 5.344 1.00 0.07 C ATOM 1431 C ARG A 89 -0.827 6.641 4.954 1.00 0.03 C ATOM 1432 O ARG A 89 -1.547 6.124 5.786 1.00 0.11 O ATOM 1433 CB ARG A 89 0.127 8.868 4.341 1.00 0.11 C ATOM 1434 CG ARG A 89 -1.133 9.696 4.598 1.00 0.16 C ATOM 1435 CD ARG A 89 -1.154 10.900 3.653 1.00 0.42 C ATOM 1436 NE ARG A 89 -0.530 12.073 4.328 1.00 0.84 N ATOM 1437 CZ ARG A 89 -0.168 13.112 3.628 1.00 1.20 C ATOM 1438 NH1 ARG A 89 -0.351 13.124 2.336 1.00 1.35 N ATOM 1439 NH2 ARG A 89 0.378 14.139 4.220 1.00 1.88 N ATOM 0 H ARG A 89 2.085 7.255 4.471 1.00 0.10 H new ATOM 0 HA ARG A 89 -0.038 8.086 6.342 1.00 0.07 H new ATOM 0 HB2 ARG A 89 1.013 9.496 4.435 1.00 0.11 H new ATOM 0 HB3 ARG A 89 0.118 8.479 3.323 1.00 0.11 H new ATOM 0 HG2 ARG A 89 -2.021 9.083 4.444 1.00 0.16 H new ATOM 0 HG3 ARG A 89 -1.154 10.033 5.634 1.00 0.16 H new ATOM 0 HD2 ARG A 89 -0.614 10.665 2.736 1.00 0.42 H new ATOM 0 HD3 ARG A 89 -2.180 11.134 3.368 1.00 0.42 H new ATOM 0 HE ARG A 89 -0.386 12.063 5.338 1.00 0.84 H new ATOM 0 HH11 ARG A 89 -0.777 12.321 1.874 1.00 1.35 H new ATOM 0 HH12 ARG A 89 -0.068 13.937 1.788 1.00 1.35 H new ATOM 0 HH21 ARG A 89 0.521 14.129 5.230 1.00 1.88 H new ATOM 0 HH22 ARG A 89 0.661 14.952 3.673 1.00 1.88 H new ATOM 1453 N LEU A 90 -0.893 6.301 3.696 1.00 0.05 N ATOM 1454 CA LEU A 90 -1.867 5.261 3.257 1.00 0.04 C ATOM 1455 C LEU A 90 -1.680 3.998 4.098 1.00 0.09 C ATOM 1456 O LEU A 90 -2.541 3.142 4.149 1.00 0.24 O ATOM 1457 CB LEU A 90 -1.632 4.932 1.781 1.00 0.04 C ATOM 1458 CG LEU A 90 -0.230 4.345 1.605 1.00 0.04 C ATOM 1459 CD1 LEU A 90 -0.331 2.832 1.402 1.00 0.07 C ATOM 1460 CD2 LEU A 90 0.436 4.978 0.382 1.00 0.05 C ATOM 0 H LEU A 90 -0.316 6.697 2.954 1.00 0.05 H new ATOM 0 HA LEU A 90 -2.882 5.636 3.388 1.00 0.04 H new ATOM 0 HB2 LEU A 90 -2.381 4.222 1.432 1.00 0.04 H new ATOM 0 HB3 LEU A 90 -1.740 5.832 1.175 1.00 0.04 H new ATOM 0 HG LEU A 90 0.365 4.553 2.494 1.00 0.04 H new ATOM 0 HD11 LEU A 90 0.668 2.414 1.277 1.00 0.07 H new ATOM 0 HD12 LEU A 90 -0.807 2.379 2.272 1.00 0.07 H new ATOM 0 HD13 LEU A 90 -0.926 2.623 0.513 1.00 0.07 H new ATOM 0 HD21 LEU A 90 1.435 4.561 0.255 1.00 0.05 H new ATOM 0 HD22 LEU A 90 -0.160 4.769 -0.506 1.00 0.05 H new ATOM 0 HD23 LEU A 90 0.508 6.056 0.524 1.00 0.05 H new ATOM 1472 N ASP A 91 -0.562 3.874 4.759 1.00 0.14 N ATOM 1473 CA ASP A 91 -0.322 2.665 5.597 1.00 0.18 C ATOM 1474 C ASP A 91 -1.322 2.640 6.754 1.00 0.14 C ATOM 1475 O ASP A 91 -1.833 1.601 7.123 1.00 0.18 O ATOM 1476 CB ASP A 91 1.102 2.705 6.154 1.00 0.24 C ATOM 1477 CG ASP A 91 1.240 1.676 7.278 1.00 0.31 C ATOM 1478 OD1 ASP A 91 1.028 0.504 7.011 1.00 0.78 O ATOM 1479 OD2 ASP A 91 1.555 2.077 8.385 1.00 1.38 O ATOM 0 H ASP A 91 0.195 4.557 4.755 1.00 0.14 H new ATOM 0 HA ASP A 91 -0.449 1.770 4.988 1.00 0.18 H new ATOM 0 HB2 ASP A 91 1.820 2.492 5.362 1.00 0.24 H new ATOM 0 HB3 ASP A 91 1.329 3.703 6.530 1.00 0.24 H new ATOM 1484 N ARG A 92 -1.606 3.776 7.331 1.00 0.09 N ATOM 1485 CA ARG A 92 -2.572 3.815 8.464 1.00 0.08 C ATOM 1486 C ARG A 92 -3.998 3.908 7.916 1.00 0.07 C ATOM 1487 O ARG A 92 -4.944 3.477 8.544 1.00 0.08 O ATOM 1488 CB ARG A 92 -2.282 5.036 9.340 1.00 0.12 C ATOM 1489 CG ARG A 92 -1.019 4.785 10.166 1.00 0.25 C ATOM 1490 CD ARG A 92 -1.408 4.232 11.538 1.00 0.73 C ATOM 1491 NE ARG A 92 -0.229 3.562 12.155 1.00 1.33 N ATOM 1492 CZ ARG A 92 -0.231 3.281 13.430 1.00 1.61 C ATOM 1493 NH1 ARG A 92 -1.266 3.587 14.164 1.00 1.49 N ATOM 1494 NH2 ARG A 92 0.801 2.694 13.971 1.00 2.54 N ATOM 0 H ARG A 92 -1.211 4.678 7.066 1.00 0.09 H new ATOM 0 HA ARG A 92 -2.470 2.908 9.060 1.00 0.08 H new ATOM 0 HB2 ARG A 92 -2.152 5.921 8.717 1.00 0.12 H new ATOM 0 HB3 ARG A 92 -3.127 5.232 10.000 1.00 0.12 H new ATOM 0 HG2 ARG A 92 -0.368 4.080 9.649 1.00 0.25 H new ATOM 0 HG3 ARG A 92 -0.457 5.712 10.282 1.00 0.25 H new ATOM 0 HD2 ARG A 92 -1.759 5.039 12.181 1.00 0.73 H new ATOM 0 HD3 ARG A 92 -2.231 3.524 11.437 1.00 0.73 H new ATOM 0 HE ARG A 92 0.580 3.323 11.581 1.00 1.33 H new ATOM 0 HH11 ARG A 92 -2.073 4.046 13.741 1.00 1.49 H new ATOM 0 HH12 ARG A 92 -1.268 3.367 15.160 1.00 1.49 H new ATOM 0 HH21 ARG A 92 1.610 2.454 13.398 1.00 2.54 H new ATOM 0 HH22 ARG A 92 0.799 2.475 14.967 1.00 2.54 H new ATOM 1508 N ASN A 93 -4.159 4.467 6.747 1.00 0.10 N ATOM 1509 CA ASN A 93 -5.524 4.586 6.162 1.00 0.12 C ATOM 1510 C ASN A 93 -6.142 3.194 6.021 1.00 0.14 C ATOM 1511 O ASN A 93 -7.214 2.925 6.530 1.00 0.23 O ATOM 1512 CB ASN A 93 -5.433 5.245 4.783 1.00 0.19 C ATOM 1513 CG ASN A 93 -4.755 6.610 4.913 1.00 0.20 C ATOM 1514 OD1 ASN A 93 -4.208 6.934 5.949 1.00 1.13 O ATOM 1515 ND2 ASN A 93 -4.767 7.430 3.899 1.00 1.43 N ATOM 0 H ASN A 93 -3.405 4.846 6.173 1.00 0.10 H new ATOM 0 HA ASN A 93 -6.147 5.196 6.816 1.00 0.12 H new ATOM 0 HB2 ASN A 93 -4.867 4.610 4.101 1.00 0.19 H new ATOM 0 HB3 ASN A 93 -6.430 5.361 4.357 1.00 0.19 H new ATOM 0 HD21 ASN A 93 -4.318 8.342 3.976 1.00 1.43 H new ATOM 0 HD22 ASN A 93 -5.226 7.159 3.029 1.00 1.43 H new ATOM 1522 N LEU A 94 -5.478 2.305 5.334 1.00 0.12 N ATOM 1523 CA LEU A 94 -6.030 0.932 5.162 1.00 0.15 C ATOM 1524 C LEU A 94 -6.279 0.305 6.536 1.00 0.14 C ATOM 1525 O LEU A 94 -7.407 0.129 6.954 1.00 0.26 O ATOM 1526 CB LEU A 94 -5.030 0.072 4.384 1.00 0.18 C ATOM 1527 CG LEU A 94 -4.664 0.771 3.073 1.00 0.16 C ATOM 1528 CD1 LEU A 94 -3.656 -0.083 2.303 1.00 0.36 C ATOM 1529 CD2 LEU A 94 -5.923 0.959 2.223 1.00 0.22 C ATOM 0 H LEU A 94 -4.577 2.470 4.885 1.00 0.12 H new ATOM 0 HA LEU A 94 -6.969 0.986 4.611 1.00 0.15 H new ATOM 0 HB2 LEU A 94 -4.134 -0.093 4.982 1.00 0.18 H new ATOM 0 HB3 LEU A 94 -5.461 -0.908 4.178 1.00 0.18 H new ATOM 0 HG LEU A 94 -4.225 1.744 3.293 1.00 0.16 H new ATOM 0 HD11 LEU A 94 -3.395 0.415 1.369 1.00 0.36 H new ATOM 0 HD12 LEU A 94 -2.758 -0.217 2.906 1.00 0.36 H new ATOM 0 HD13 LEU A 94 -4.095 -1.056 2.085 1.00 0.36 H new ATOM 0 HD21 LEU A 94 -5.661 1.457 1.290 1.00 0.22 H new ATOM 0 HD22 LEU A 94 -6.363 -0.014 2.004 1.00 0.22 H new ATOM 0 HD23 LEU A 94 -6.643 1.568 2.769 1.00 0.22 H new ATOM 1541 N TRP A 95 -5.235 -0.033 7.243 1.00 0.26 N ATOM 1542 CA TRP A 95 -5.414 -0.647 8.588 1.00 0.26 C ATOM 1543 C TRP A 95 -6.350 0.224 9.427 1.00 0.29 C ATOM 1544 O TRP A 95 -6.780 -0.160 10.496 1.00 0.35 O ATOM 1545 CB TRP A 95 -4.056 -0.755 9.285 1.00 0.34 C ATOM 1546 CG TRP A 95 -4.246 -1.295 10.667 1.00 0.37 C ATOM 1547 CD1 TRP A 95 -4.470 -0.544 11.769 1.00 0.42 C ATOM 1548 CD2 TRP A 95 -4.236 -2.682 11.110 1.00 0.37 C ATOM 1549 NE1 TRP A 95 -4.596 -1.382 12.862 1.00 0.45 N ATOM 1550 CE2 TRP A 95 -4.460 -2.710 12.507 1.00 0.42 C ATOM 1551 CE3 TRP A 95 -4.055 -3.908 10.444 1.00 0.34 C ATOM 1552 CZ2 TRP A 95 -4.503 -3.911 13.218 1.00 0.43 C ATOM 1553 CZ3 TRP A 95 -4.098 -5.118 11.155 1.00 0.35 C ATOM 1554 CH2 TRP A 95 -4.322 -5.119 12.540 1.00 0.39 C ATOM 0 H TRP A 95 -4.267 0.090 6.947 1.00 0.26 H new ATOM 0 HA TRP A 95 -5.846 -1.642 8.478 1.00 0.26 H new ATOM 0 HB2 TRP A 95 -3.394 -1.408 8.716 1.00 0.34 H new ATOM 0 HB3 TRP A 95 -3.579 0.224 9.328 1.00 0.34 H new ATOM 0 HD1 TRP A 95 -4.539 0.534 11.792 1.00 0.42 H new ATOM 0 HE1 TRP A 95 -4.768 -1.059 13.814 1.00 0.45 H new ATOM 0 HE3 TRP A 95 -3.882 -3.918 9.378 1.00 0.34 H new ATOM 0 HZ2 TRP A 95 -4.675 -3.906 14.284 1.00 0.43 H new ATOM 0 HZ3 TRP A 95 -3.958 -6.053 10.633 1.00 0.35 H new ATOM 0 HH2 TRP A 95 -4.354 -6.053 13.082 1.00 0.39 H new ATOM 1565 N GLY A 96 -6.669 1.397 8.951 1.00 0.30 N ATOM 1566 CA GLY A 96 -7.578 2.292 9.724 1.00 0.37 C ATOM 1567 C GLY A 96 -9.020 1.806 9.573 1.00 0.38 C ATOM 1568 O GLY A 96 -9.611 1.289 10.500 1.00 0.47 O ATOM 0 H GLY A 96 -6.340 1.774 8.062 1.00 0.30 H new ATOM 0 HA2 GLY A 96 -7.293 2.297 10.776 1.00 0.37 H new ATOM 0 HA3 GLY A 96 -7.489 3.317 9.365 1.00 0.37 H new ATOM 1572 N LEU A 97 -9.593 1.970 8.412 1.00 0.35 N ATOM 1573 CA LEU A 97 -10.998 1.518 8.205 1.00 0.44 C ATOM 1574 C LEU A 97 -11.095 0.013 8.459 1.00 0.41 C ATOM 1575 O LEU A 97 -12.156 -0.573 8.375 1.00 0.47 O ATOM 1576 CB LEU A 97 -11.443 1.834 6.769 1.00 0.46 C ATOM 1577 CG LEU A 97 -10.393 1.345 5.755 1.00 0.38 C ATOM 1578 CD1 LEU A 97 -10.368 -0.188 5.689 1.00 0.35 C ATOM 1579 CD2 LEU A 97 -10.739 1.900 4.372 1.00 0.44 C ATOM 0 H LEU A 97 -9.150 2.397 7.599 1.00 0.35 H new ATOM 0 HA LEU A 97 -11.651 2.044 8.902 1.00 0.44 H new ATOM 0 HB2 LEU A 97 -12.402 1.356 6.566 1.00 0.46 H new ATOM 0 HB3 LEU A 97 -11.592 2.908 6.657 1.00 0.46 H new ATOM 0 HG LEU A 97 -9.411 1.696 6.072 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -9.618 -0.509 4.966 1.00 0.35 H new ATOM 0 HD12 LEU A 97 -10.120 -0.590 6.671 1.00 0.35 H new ATOM 0 HD13 LEU A 97 -11.348 -0.555 5.383 1.00 0.35 H new ATOM 0 HD21 LEU A 97 -10.000 1.558 3.647 1.00 0.44 H new ATOM 0 HD22 LEU A 97 -11.727 1.548 4.076 1.00 0.44 H new ATOM 0 HD23 LEU A 97 -10.737 2.989 4.406 1.00 0.44 H new ATOM 1591 N ALA A 98 -9.995 -0.618 8.768 1.00 0.34 N ATOM 1592 CA ALA A 98 -10.025 -2.085 9.025 1.00 0.31 C ATOM 1593 C ALA A 98 -10.470 -2.341 10.467 1.00 0.37 C ATOM 1594 O ALA A 98 -11.559 -2.817 10.716 1.00 0.44 O ATOM 1595 CB ALA A 98 -8.629 -2.669 8.810 1.00 0.20 C ATOM 0 H ALA A 98 -9.077 -0.181 8.853 1.00 0.34 H new ATOM 0 HA ALA A 98 -10.726 -2.560 8.339 1.00 0.31 H new ATOM 0 HB1 ALA A 98 -8.651 -3.742 8.998 1.00 0.20 H new ATOM 0 HB2 ALA A 98 -8.313 -2.487 7.783 1.00 0.20 H new ATOM 0 HB3 ALA A 98 -7.927 -2.195 9.496 1.00 0.20 H new ATOM 1601 N GLY A 99 -9.633 -2.031 11.419 1.00 0.39 N ATOM 1602 CA GLY A 99 -10.007 -2.257 12.844 1.00 0.47 C ATOM 1603 C GLY A 99 -9.838 -3.737 13.187 1.00 0.46 C ATOM 1604 O GLY A 99 -10.440 -4.241 14.115 1.00 0.72 O ATOM 0 H GLY A 99 -8.706 -1.631 11.272 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -9.381 -1.648 13.496 1.00 0.47 H new ATOM 0 HA3 GLY A 99 -11.039 -1.949 13.014 1.00 0.47 H new ATOM 1608 N LEU A 100 -9.023 -4.438 12.448 1.00 0.24 N ATOM 1609 CA LEU A 100 -8.816 -5.886 12.734 1.00 0.24 C ATOM 1610 C LEU A 100 -7.741 -6.045 13.810 1.00 0.23 C ATOM 1611 O LEU A 100 -6.646 -5.533 13.688 1.00 0.27 O ATOM 1612 CB LEU A 100 -8.368 -6.599 11.455 1.00 0.26 C ATOM 1613 CG LEU A 100 -9.406 -7.654 11.068 1.00 0.50 C ATOM 1614 CD1 LEU A 100 -9.029 -8.269 9.720 1.00 0.70 C ATOM 1615 CD2 LEU A 100 -9.441 -8.749 12.137 1.00 0.68 C ATOM 0 H LEU A 100 -8.491 -4.071 11.659 1.00 0.24 H new ATOM 0 HA LEU A 100 -9.750 -6.324 13.087 1.00 0.24 H new ATOM 0 HB2 LEU A 100 -8.249 -5.878 10.647 1.00 0.26 H new ATOM 0 HB3 LEU A 100 -7.397 -7.069 11.609 1.00 0.26 H new ATOM 0 HG LEU A 100 -10.388 -7.188 10.992 1.00 0.50 H new ATOM 0 HD11 LEU A 100 -9.768 -9.021 9.444 1.00 0.70 H new ATOM 0 HD12 LEU A 100 -9.003 -7.489 8.959 1.00 0.70 H new ATOM 0 HD13 LEU A 100 -8.047 -8.736 9.795 1.00 0.70 H new ATOM 0 HD21 LEU A 100 -10.180 -9.502 11.863 1.00 0.68 H new ATOM 0 HD22 LEU A 100 -8.459 -9.216 12.212 1.00 0.68 H new ATOM 0 HD23 LEU A 100 -9.709 -8.311 13.098 1.00 0.68 H new ATOM 1627 N ASN A 101 -8.044 -6.751 14.865 1.00 0.21 N ATOM 1628 CA ASN A 101 -7.039 -6.941 15.947 1.00 0.22 C ATOM 1629 C ASN A 101 -6.119 -8.109 15.589 1.00 0.25 C ATOM 1630 O ASN A 101 -4.933 -7.938 15.388 1.00 0.36 O ATOM 1631 CB ASN A 101 -7.758 -7.243 17.265 1.00 0.17 C ATOM 1632 CG ASN A 101 -6.760 -7.160 18.421 1.00 1.35 C ATOM 1633 OD1 ASN A 101 -6.272 -8.168 18.892 1.00 2.46 O ATOM 1634 ND2 ASN A 101 -6.433 -5.992 18.903 1.00 1.47 N ATOM 0 H ASN A 101 -8.944 -7.204 15.024 1.00 0.21 H new ATOM 0 HA ASN A 101 -6.447 -6.032 16.056 1.00 0.22 H new ATOM 0 HB2 ASN A 101 -8.570 -6.532 17.420 1.00 0.17 H new ATOM 0 HB3 ASN A 101 -8.206 -8.236 17.228 1.00 0.17 H new ATOM 0 HD21 ASN A 101 -5.769 -5.926 19.674 1.00 1.47 H new ATOM 0 HD22 ASN A 101 -6.842 -5.145 18.509 1.00 1.47 H new ATOM 1641 N SER A 102 -6.656 -9.296 15.508 1.00 0.23 N ATOM 1642 CA SER A 102 -5.811 -10.474 15.163 1.00 0.27 C ATOM 1643 C SER A 102 -5.685 -10.583 13.642 1.00 0.19 C ATOM 1644 O SER A 102 -6.666 -10.566 12.926 1.00 0.21 O ATOM 1645 CB SER A 102 -6.458 -11.744 15.714 1.00 0.38 C ATOM 1646 OG SER A 102 -5.649 -12.268 16.759 1.00 1.05 O ATOM 0 H SER A 102 -7.643 -9.501 15.666 1.00 0.23 H new ATOM 0 HA SER A 102 -4.821 -10.352 15.601 1.00 0.27 H new ATOM 0 HB2 SER A 102 -7.458 -11.524 16.088 1.00 0.38 H new ATOM 0 HB3 SER A 102 -6.570 -12.483 14.920 1.00 0.38 H new ATOM 0 HG SER A 102 -6.062 -13.082 17.116 1.00 1.05 H new ATOM 1652 N CYS A 103 -4.485 -10.695 13.144 1.00 0.21 N ATOM 1653 CA CYS A 103 -4.296 -10.806 11.670 1.00 0.25 C ATOM 1654 C CYS A 103 -2.873 -11.293 11.366 1.00 0.30 C ATOM 1655 O CYS A 103 -2.072 -10.548 10.840 1.00 0.39 O ATOM 1656 CB CYS A 103 -4.503 -9.429 11.033 1.00 0.30 C ATOM 1657 SG CYS A 103 -4.761 -9.623 9.252 1.00 0.13 S ATOM 0 H CYS A 103 -3.626 -10.714 13.694 1.00 0.21 H new ATOM 0 HA CYS A 103 -5.016 -11.516 11.264 1.00 0.25 H new ATOM 0 HB2 CYS A 103 -5.362 -8.933 11.484 1.00 0.30 H new ATOM 0 HB3 CYS A 103 -3.635 -8.796 11.219 1.00 0.30 H new ATOM 1662 N PRO A 104 -2.595 -12.530 11.708 1.00 0.27 N ATOM 1663 CA PRO A 104 -1.262 -13.118 11.477 1.00 0.32 C ATOM 1664 C PRO A 104 -0.963 -13.176 9.976 1.00 0.45 C ATOM 1665 O PRO A 104 -1.857 -13.259 9.158 1.00 0.50 O ATOM 1666 CB PRO A 104 -1.346 -14.532 12.066 1.00 0.26 C ATOM 1667 CG PRO A 104 -2.775 -14.723 12.633 1.00 0.24 C ATOM 1668 CD PRO A 104 -3.567 -13.438 12.350 1.00 0.24 C ATOM 0 HA PRO A 104 -0.465 -12.532 11.936 1.00 0.32 H new ATOM 0 HB2 PRO A 104 -1.136 -15.278 11.300 1.00 0.26 H new ATOM 0 HB3 PRO A 104 -0.602 -14.664 12.852 1.00 0.26 H new ATOM 0 HG2 PRO A 104 -3.260 -15.581 12.167 1.00 0.24 H new ATOM 0 HG3 PRO A 104 -2.738 -14.921 13.704 1.00 0.24 H new ATOM 0 HD2 PRO A 104 -4.417 -13.633 11.697 1.00 0.24 H new ATOM 0 HD3 PRO A 104 -3.964 -13.007 13.269 1.00 0.24 H new ATOM 1676 N VAL A 105 0.288 -13.133 9.610 1.00 0.54 N ATOM 1677 CA VAL A 105 0.646 -13.185 8.164 1.00 0.67 C ATOM 1678 C VAL A 105 0.906 -14.638 7.757 1.00 0.61 C ATOM 1679 O VAL A 105 0.932 -15.527 8.585 1.00 0.28 O ATOM 1680 CB VAL A 105 1.906 -12.350 7.922 1.00 0.82 C ATOM 1681 CG1 VAL A 105 3.071 -12.944 8.716 1.00 0.85 C ATOM 1682 CG2 VAL A 105 2.252 -12.358 6.431 1.00 1.00 C ATOM 0 H VAL A 105 1.079 -13.064 10.250 1.00 0.54 H new ATOM 0 HA VAL A 105 -0.174 -12.783 7.569 1.00 0.67 H new ATOM 0 HB VAL A 105 1.726 -11.325 8.246 1.00 0.82 H new ATOM 0 HG11 VAL A 105 3.969 -12.350 8.544 1.00 0.85 H new ATOM 0 HG12 VAL A 105 2.829 -12.936 9.779 1.00 0.85 H new ATOM 0 HG13 VAL A 105 3.247 -13.970 8.392 1.00 0.85 H new ATOM 0 HG21 VAL A 105 3.149 -11.763 6.263 1.00 1.00 H new ATOM 0 HG22 VAL A 105 2.430 -13.383 6.104 1.00 1.00 H new ATOM 0 HG23 VAL A 105 1.424 -11.934 5.863 1.00 1.00 H new ATOM 1692 N LYS A 106 1.098 -14.884 6.489 1.00 1.09 N ATOM 1693 CA LYS A 106 1.357 -16.277 6.024 1.00 1.09 C ATOM 1694 C LYS A 106 2.391 -16.255 4.897 1.00 1.01 C ATOM 1695 O LYS A 106 3.457 -15.689 5.031 1.00 1.13 O ATOM 1696 CB LYS A 106 0.054 -16.894 5.509 1.00 1.01 C ATOM 1697 CG LYS A 106 0.232 -18.405 5.352 1.00 1.36 C ATOM 1698 CD LYS A 106 -0.550 -18.886 4.128 1.00 1.51 C ATOM 1699 CE LYS A 106 -0.463 -20.411 4.033 1.00 1.84 C ATOM 1700 NZ LYS A 106 -1.215 -21.023 5.165 1.00 1.37 N ATOM 0 H LYS A 106 1.087 -14.178 5.753 1.00 1.09 H new ATOM 0 HA LYS A 106 1.737 -16.872 6.854 1.00 1.09 H new ATOM 0 HB2 LYS A 106 -0.760 -16.683 6.203 1.00 1.01 H new ATOM 0 HB3 LYS A 106 -0.219 -16.448 4.553 1.00 1.01 H new ATOM 0 HG2 LYS A 106 1.289 -18.648 5.240 1.00 1.36 H new ATOM 0 HG3 LYS A 106 -0.120 -18.918 6.247 1.00 1.36 H new ATOM 0 HD2 LYS A 106 -1.592 -18.575 4.204 1.00 1.51 H new ATOM 0 HD3 LYS A 106 -0.146 -18.431 3.224 1.00 1.51 H new ATOM 0 HE2 LYS A 106 -0.875 -20.751 3.083 1.00 1.84 H new ATOM 0 HE3 LYS A 106 0.579 -20.729 4.061 1.00 1.84 H new ATOM 0 HZ1 LYS A 106 -1.463 -22.004 4.927 1.00 1.37 H new ATOM 0 HZ2 LYS A 106 -0.623 -21.013 6.020 1.00 1.37 H new ATOM 0 HZ3 LYS A 106 -2.084 -20.479 5.339 1.00 1.37 H new ATOM 1714 N GLU A 107 2.085 -16.867 3.785 1.00 0.84 N ATOM 1715 CA GLU A 107 3.052 -16.881 2.652 1.00 0.80 C ATOM 1716 C GLU A 107 2.287 -16.881 1.327 1.00 0.40 C ATOM 1717 O GLU A 107 1.086 -17.066 1.294 1.00 0.47 O ATOM 1718 CB GLU A 107 3.921 -18.137 2.738 1.00 1.15 C ATOM 1719 CG GLU A 107 4.926 -17.986 3.882 1.00 1.68 C ATOM 1720 CD GLU A 107 5.870 -19.190 3.896 1.00 1.70 C ATOM 1721 OE1 GLU A 107 6.066 -19.776 2.845 1.00 1.93 O ATOM 1722 OE2 GLU A 107 6.381 -19.505 4.958 1.00 2.13 O ATOM 0 H GLU A 107 1.207 -17.357 3.613 1.00 0.84 H new ATOM 0 HA GLU A 107 3.686 -15.996 2.706 1.00 0.80 H new ATOM 0 HB2 GLU A 107 3.295 -19.014 2.903 1.00 1.15 H new ATOM 0 HB3 GLU A 107 4.447 -18.293 1.796 1.00 1.15 H new ATOM 0 HG2 GLU A 107 5.496 -17.065 3.760 1.00 1.68 H new ATOM 0 HG3 GLU A 107 4.401 -17.912 4.834 1.00 1.68 H new ATOM 1729 N ALA A 108 2.971 -16.676 0.236 1.00 0.48 N ATOM 1730 CA ALA A 108 2.283 -16.665 -1.086 1.00 0.67 C ATOM 1731 C ALA A 108 3.327 -16.614 -2.204 1.00 0.87 C ATOM 1732 O ALA A 108 4.382 -17.209 -2.108 1.00 1.23 O ATOM 1733 CB ALA A 108 1.377 -15.436 -1.178 1.00 1.04 C ATOM 0 H ALA A 108 3.978 -16.515 0.202 1.00 0.48 H new ATOM 0 HA ALA A 108 1.682 -17.568 -1.191 1.00 0.67 H new ATOM 0 HB1 ALA A 108 0.873 -15.427 -2.145 1.00 1.04 H new ATOM 0 HB2 ALA A 108 0.634 -15.472 -0.382 1.00 1.04 H new ATOM 0 HB3 ALA A 108 1.978 -14.532 -1.073 1.00 1.04 H new ATOM 1739 N ASP A 109 3.041 -15.909 -3.263 1.00 0.76 N ATOM 1740 CA ASP A 109 4.017 -15.820 -4.385 1.00 1.01 C ATOM 1741 C ASP A 109 4.907 -14.591 -4.191 1.00 0.86 C ATOM 1742 O ASP A 109 5.283 -14.253 -3.087 1.00 0.89 O ATOM 1743 CB ASP A 109 3.262 -15.700 -5.711 1.00 1.19 C ATOM 1744 CG ASP A 109 2.315 -16.891 -5.868 1.00 1.44 C ATOM 1745 OD1 ASP A 109 2.214 -17.670 -4.936 1.00 1.15 O ATOM 1746 OD2 ASP A 109 1.708 -17.004 -6.920 1.00 2.10 O ATOM 0 H ASP A 109 2.173 -15.390 -3.400 1.00 0.76 H new ATOM 0 HA ASP A 109 4.636 -16.717 -4.400 1.00 1.01 H new ATOM 0 HB2 ASP A 109 2.698 -14.767 -5.738 1.00 1.19 H new ATOM 0 HB3 ASP A 109 3.967 -15.670 -6.542 1.00 1.19 H new ATOM 1751 N GLN A 110 5.245 -13.918 -5.258 1.00 0.75 N ATOM 1752 CA GLN A 110 6.110 -12.711 -5.134 1.00 0.64 C ATOM 1753 C GLN A 110 5.728 -11.697 -6.213 1.00 0.58 C ATOM 1754 O GLN A 110 5.226 -12.051 -7.261 1.00 0.65 O ATOM 1755 CB GLN A 110 7.577 -13.113 -5.309 1.00 0.67 C ATOM 1756 CG GLN A 110 8.355 -12.772 -4.036 1.00 0.52 C ATOM 1757 CD GLN A 110 9.796 -13.268 -4.171 1.00 0.37 C ATOM 1758 OE1 GLN A 110 10.695 -12.493 -4.430 1.00 0.94 O ATOM 1759 NE2 GLN A 110 10.054 -14.535 -4.004 1.00 1.34 N ATOM 0 H GLN A 110 4.960 -14.152 -6.209 1.00 0.75 H new ATOM 0 HA GLN A 110 5.971 -12.265 -4.149 1.00 0.64 H new ATOM 0 HB2 GLN A 110 7.650 -14.180 -5.518 1.00 0.67 H new ATOM 0 HB3 GLN A 110 8.009 -12.591 -6.163 1.00 0.67 H new ATOM 0 HG2 GLN A 110 8.344 -11.695 -3.868 1.00 0.52 H new ATOM 0 HG3 GLN A 110 7.879 -13.235 -3.171 1.00 0.52 H new ATOM 0 HE21 GLN A 110 9.299 -15.185 -3.787 1.00 1.34 H new ATOM 0 HE22 GLN A 110 11.011 -14.876 -4.091 1.00 1.34 H new ATOM 1768 N SER A 111 5.959 -10.437 -5.966 1.00 0.48 N ATOM 1769 CA SER A 111 5.608 -9.402 -6.978 1.00 0.45 C ATOM 1770 C SER A 111 6.492 -8.169 -6.775 1.00 0.31 C ATOM 1771 O SER A 111 7.075 -7.977 -5.727 1.00 0.31 O ATOM 1772 CB SER A 111 4.139 -9.008 -6.816 1.00 0.55 C ATOM 1773 OG SER A 111 3.852 -8.823 -5.437 1.00 0.54 O ATOM 0 H SER A 111 6.376 -10.080 -5.106 1.00 0.48 H new ATOM 0 HA SER A 111 5.769 -9.803 -7.979 1.00 0.45 H new ATOM 0 HB2 SER A 111 3.933 -8.091 -7.368 1.00 0.55 H new ATOM 0 HB3 SER A 111 3.495 -9.782 -7.233 1.00 0.55 H new ATOM 0 HG SER A 111 2.912 -8.569 -5.330 1.00 0.54 H new ATOM 1779 N THR A 112 6.597 -7.333 -7.772 1.00 0.26 N ATOM 1780 CA THR A 112 7.443 -6.114 -7.635 1.00 0.16 C ATOM 1781 C THR A 112 6.594 -4.960 -7.100 1.00 0.14 C ATOM 1782 O THR A 112 5.432 -4.827 -7.428 1.00 0.20 O ATOM 1783 CB THR A 112 8.016 -5.735 -9.003 1.00 0.27 C ATOM 1784 OG1 THR A 112 7.018 -5.913 -9.998 1.00 0.36 O ATOM 1785 CG2 THR A 112 9.219 -6.624 -9.320 1.00 0.43 C ATOM 0 H THR A 112 6.134 -7.441 -8.674 1.00 0.26 H new ATOM 0 HA THR A 112 8.260 -6.315 -6.942 1.00 0.16 H new ATOM 0 HB THR A 112 8.333 -4.692 -8.988 1.00 0.27 H new ATOM 0 HG1 THR A 112 7.383 -5.669 -10.874 1.00 0.36 H new ATOM 0 HG21 THR A 112 9.625 -6.353 -10.294 1.00 0.43 H new ATOM 0 HG22 THR A 112 9.985 -6.486 -8.556 1.00 0.43 H new ATOM 0 HG23 THR A 112 8.906 -7.668 -9.336 1.00 0.43 H new ATOM 1793 N LEU A 113 7.166 -4.123 -6.278 1.00 0.09 N ATOM 1794 CA LEU A 113 6.391 -2.977 -5.722 1.00 0.08 C ATOM 1795 C LEU A 113 5.636 -2.276 -6.853 1.00 0.10 C ATOM 1796 O LEU A 113 4.582 -1.708 -6.649 1.00 0.12 O ATOM 1797 CB LEU A 113 7.357 -1.988 -5.057 1.00 0.09 C ATOM 1798 CG LEU A 113 6.570 -0.861 -4.374 1.00 0.08 C ATOM 1799 CD1 LEU A 113 5.709 -1.430 -3.243 1.00 0.10 C ATOM 1800 CD2 LEU A 113 7.552 0.161 -3.795 1.00 0.18 C ATOM 0 H LEU A 113 8.136 -4.183 -5.967 1.00 0.09 H new ATOM 0 HA LEU A 113 5.677 -3.341 -4.983 1.00 0.08 H new ATOM 0 HB2 LEU A 113 7.974 -2.507 -4.324 1.00 0.09 H new ATOM 0 HB3 LEU A 113 8.033 -1.570 -5.803 1.00 0.09 H new ATOM 0 HG LEU A 113 5.923 -0.382 -5.109 1.00 0.08 H new ATOM 0 HD11 LEU A 113 5.155 -0.622 -2.765 1.00 0.10 H new ATOM 0 HD12 LEU A 113 5.008 -2.159 -3.650 1.00 0.10 H new ATOM 0 HD13 LEU A 113 6.350 -1.915 -2.507 1.00 0.10 H new ATOM 0 HD21 LEU A 113 6.997 0.964 -3.309 1.00 0.18 H new ATOM 0 HD22 LEU A 113 8.198 -0.328 -3.065 1.00 0.18 H new ATOM 0 HD23 LEU A 113 8.161 0.576 -4.598 1.00 0.18 H new ATOM 1812 N GLU A 114 6.166 -2.312 -8.045 1.00 0.11 N ATOM 1813 CA GLU A 114 5.477 -1.647 -9.187 1.00 0.13 C ATOM 1814 C GLU A 114 4.192 -2.409 -9.520 1.00 0.13 C ATOM 1815 O GLU A 114 3.102 -1.975 -9.205 1.00 0.15 O ATOM 1816 CB GLU A 114 6.398 -1.642 -10.408 1.00 0.13 C ATOM 1817 CG GLU A 114 5.806 -0.737 -11.490 1.00 0.19 C ATOM 1818 CD GLU A 114 6.640 0.539 -11.603 1.00 1.34 C ATOM 1819 OE1 GLU A 114 6.816 1.200 -10.592 1.00 2.54 O ATOM 1820 OE2 GLU A 114 7.089 0.837 -12.697 1.00 1.30 O ATOM 0 H GLU A 114 7.046 -2.773 -8.277 1.00 0.11 H new ATOM 0 HA GLU A 114 5.232 -0.621 -8.915 1.00 0.13 H new ATOM 0 HB2 GLU A 114 7.390 -1.289 -10.127 1.00 0.13 H new ATOM 0 HB3 GLU A 114 6.517 -2.655 -10.791 1.00 0.13 H new ATOM 0 HG2 GLU A 114 5.790 -1.259 -12.447 1.00 0.19 H new ATOM 0 HG3 GLU A 114 4.773 -0.488 -11.245 1.00 0.19 H new ATOM 1827 N ASN A 115 4.311 -3.544 -10.154 1.00 0.13 N ATOM 1828 CA ASN A 115 3.095 -4.331 -10.505 1.00 0.15 C ATOM 1829 C ASN A 115 2.216 -4.486 -9.263 1.00 0.13 C ATOM 1830 O ASN A 115 1.019 -4.282 -9.310 1.00 0.20 O ATOM 1831 CB ASN A 115 3.511 -5.713 -11.012 1.00 0.18 C ATOM 1832 CG ASN A 115 3.858 -5.628 -12.500 1.00 0.44 C ATOM 1833 OD1 ASN A 115 3.210 -6.243 -13.323 1.00 1.32 O ATOM 1834 ND2 ASN A 115 4.861 -4.886 -12.882 1.00 0.76 N ATOM 0 H ASN A 115 5.196 -3.960 -10.444 1.00 0.13 H new ATOM 0 HA ASN A 115 2.537 -3.812 -11.284 1.00 0.15 H new ATOM 0 HB2 ASN A 115 4.370 -6.076 -10.448 1.00 0.18 H new ATOM 0 HB3 ASN A 115 2.703 -6.428 -10.856 1.00 0.18 H new ATOM 0 HD21 ASN A 115 5.101 -4.823 -13.871 1.00 0.76 H new ATOM 0 HD22 ASN A 115 5.405 -4.369 -12.191 1.00 0.76 H new ATOM 1841 N PHE A 116 2.800 -4.844 -8.153 1.00 0.11 N ATOM 1842 CA PHE A 116 1.999 -5.010 -6.909 1.00 0.14 C ATOM 1843 C PHE A 116 1.080 -3.799 -6.730 1.00 0.12 C ATOM 1844 O PHE A 116 -0.076 -3.930 -6.380 1.00 0.19 O ATOM 1845 CB PHE A 116 2.939 -5.119 -5.707 1.00 0.17 C ATOM 1846 CG PHE A 116 2.137 -5.031 -4.430 1.00 0.18 C ATOM 1847 CD1 PHE A 116 1.757 -3.780 -3.929 1.00 0.22 C ATOM 1848 CD2 PHE A 116 1.775 -6.199 -3.749 1.00 0.20 C ATOM 1849 CE1 PHE A 116 1.013 -3.699 -2.745 1.00 0.26 C ATOM 1850 CE2 PHE A 116 1.032 -6.117 -2.566 1.00 0.26 C ATOM 1851 CZ PHE A 116 0.650 -4.867 -2.064 1.00 0.28 C ATOM 0 H PHE A 116 3.798 -5.029 -8.054 1.00 0.11 H new ATOM 0 HA PHE A 116 1.397 -5.916 -6.982 1.00 0.14 H new ATOM 0 HB2 PHE A 116 3.484 -6.062 -5.742 1.00 0.17 H new ATOM 0 HB3 PHE A 116 3.681 -4.321 -5.739 1.00 0.17 H new ATOM 0 HD1 PHE A 116 2.037 -2.879 -4.455 1.00 0.22 H new ATOM 0 HD2 PHE A 116 2.069 -7.163 -4.136 1.00 0.20 H new ATOM 0 HE1 PHE A 116 0.719 -2.735 -2.357 1.00 0.26 H new ATOM 0 HE2 PHE A 116 0.753 -7.018 -2.040 1.00 0.26 H new ATOM 0 HZ PHE A 116 0.075 -4.804 -1.152 1.00 0.28 H new ATOM 1861 N LEU A 117 1.587 -2.620 -6.971 1.00 0.12 N ATOM 1862 CA LEU A 117 0.744 -1.401 -6.819 1.00 0.10 C ATOM 1863 C LEU A 117 -0.320 -1.375 -7.919 1.00 0.13 C ATOM 1864 O LEU A 117 -1.408 -0.869 -7.732 1.00 0.29 O ATOM 1865 CB LEU A 117 1.625 -0.155 -6.931 1.00 0.14 C ATOM 1866 CG LEU A 117 2.030 0.317 -5.533 1.00 0.13 C ATOM 1867 CD1 LEU A 117 3.270 1.206 -5.635 1.00 0.19 C ATOM 1868 CD2 LEU A 117 0.884 1.117 -4.908 1.00 0.25 C ATOM 0 H LEU A 117 2.548 -2.449 -7.266 1.00 0.12 H new ATOM 0 HA LEU A 117 0.257 -1.415 -5.844 1.00 0.10 H new ATOM 0 HB2 LEU A 117 2.513 -0.378 -7.522 1.00 0.14 H new ATOM 0 HB3 LEU A 117 1.087 0.637 -7.451 1.00 0.14 H new ATOM 0 HG LEU A 117 2.250 -0.550 -4.910 1.00 0.13 H new ATOM 0 HD11 LEU A 117 3.559 1.543 -4.639 1.00 0.19 H new ATOM 0 HD12 LEU A 117 4.089 0.639 -6.078 1.00 0.19 H new ATOM 0 HD13 LEU A 117 3.047 2.071 -6.260 1.00 0.19 H new ATOM 0 HD21 LEU A 117 1.175 1.452 -3.912 1.00 0.25 H new ATOM 0 HD22 LEU A 117 0.662 1.983 -5.532 1.00 0.25 H new ATOM 0 HD23 LEU A 117 -0.002 0.486 -4.834 1.00 0.25 H new ATOM 1880 N GLU A 118 -0.013 -1.914 -9.067 1.00 0.06 N ATOM 1881 CA GLU A 118 -1.006 -1.920 -10.177 1.00 0.10 C ATOM 1882 C GLU A 118 -2.213 -2.773 -9.779 1.00 0.12 C ATOM 1883 O GLU A 118 -3.301 -2.270 -9.581 1.00 0.23 O ATOM 1884 CB GLU A 118 -0.363 -2.502 -11.436 1.00 0.17 C ATOM 1885 CG GLU A 118 -1.286 -2.274 -12.636 1.00 0.40 C ATOM 1886 CD GLU A 118 -0.668 -1.227 -13.564 1.00 0.44 C ATOM 1887 OE1 GLU A 118 -0.411 -0.129 -13.099 1.00 1.51 O ATOM 1888 OE2 GLU A 118 -0.462 -1.541 -14.725 1.00 0.93 O ATOM 0 H GLU A 118 0.883 -2.351 -9.284 1.00 0.06 H new ATOM 0 HA GLU A 118 -1.333 -0.899 -10.376 1.00 0.10 H new ATOM 0 HB2 GLU A 118 0.604 -2.031 -11.614 1.00 0.17 H new ATOM 0 HB3 GLU A 118 -0.179 -3.568 -11.303 1.00 0.17 H new ATOM 0 HG2 GLU A 118 -1.437 -3.209 -13.175 1.00 0.40 H new ATOM 0 HG3 GLU A 118 -2.266 -1.940 -12.296 1.00 0.40 H new ATOM 1895 N ARG A 119 -2.029 -4.059 -9.661 1.00 0.08 N ATOM 1896 CA ARG A 119 -3.166 -4.941 -9.277 1.00 0.12 C ATOM 1897 C ARG A 119 -3.887 -4.347 -8.064 1.00 0.09 C ATOM 1898 O ARG A 119 -5.094 -4.418 -7.952 1.00 0.12 O ATOM 1899 CB ARG A 119 -2.635 -6.333 -8.923 1.00 0.15 C ATOM 1900 CG ARG A 119 -1.620 -6.218 -7.785 1.00 0.12 C ATOM 1901 CD ARG A 119 -0.856 -7.536 -7.647 1.00 0.15 C ATOM 1902 NE ARG A 119 -1.770 -8.673 -7.945 1.00 0.68 N ATOM 1903 CZ ARG A 119 -1.280 -9.861 -8.179 1.00 0.76 C ATOM 1904 NH1 ARG A 119 0.010 -10.051 -8.152 1.00 0.36 N ATOM 1905 NH2 ARG A 119 -2.082 -10.857 -8.440 1.00 1.31 N ATOM 0 H ARG A 119 -1.141 -4.537 -9.814 1.00 0.08 H new ATOM 0 HA ARG A 119 -3.863 -5.019 -10.112 1.00 0.12 H new ATOM 0 HB2 ARG A 119 -3.458 -6.983 -8.626 1.00 0.15 H new ATOM 0 HB3 ARG A 119 -2.168 -6.789 -9.796 1.00 0.15 H new ATOM 0 HG2 ARG A 119 -0.925 -5.402 -7.984 1.00 0.12 H new ATOM 0 HG3 ARG A 119 -2.130 -5.982 -6.851 1.00 0.12 H new ATOM 0 HD2 ARG A 119 -0.007 -7.550 -8.330 1.00 0.15 H new ATOM 0 HD3 ARG A 119 -0.455 -7.632 -6.638 1.00 0.15 H new ATOM 0 HE ARG A 119 -2.779 -8.524 -7.966 1.00 0.68 H new ATOM 0 HH11 ARG A 119 0.636 -9.272 -7.948 1.00 0.36 H new ATOM 0 HH12 ARG A 119 0.393 -10.979 -8.335 1.00 0.36 H new ATOM 0 HH21 ARG A 119 -3.091 -10.707 -8.461 1.00 1.31 H new ATOM 0 HH22 ARG A 119 -1.700 -11.785 -8.623 1.00 1.31 H new ATOM 1919 N LEU A 120 -3.155 -3.762 -7.156 1.00 0.07 N ATOM 1920 CA LEU A 120 -3.799 -3.164 -5.953 1.00 0.08 C ATOM 1921 C LEU A 120 -4.702 -2.008 -6.388 1.00 0.05 C ATOM 1922 O LEU A 120 -5.895 -2.017 -6.155 1.00 0.07 O ATOM 1923 CB LEU A 120 -2.717 -2.643 -5.002 1.00 0.11 C ATOM 1924 CG LEU A 120 -3.285 -2.503 -3.586 1.00 0.17 C ATOM 1925 CD1 LEU A 120 -2.167 -2.086 -2.628 1.00 0.22 C ATOM 1926 CD2 LEU A 120 -4.390 -1.441 -3.564 1.00 0.15 C ATOM 0 H LEU A 120 -2.140 -3.672 -7.195 1.00 0.07 H new ATOM 0 HA LEU A 120 -4.395 -3.919 -5.441 1.00 0.08 H new ATOM 0 HB2 LEU A 120 -1.868 -3.326 -4.996 1.00 0.11 H new ATOM 0 HB3 LEU A 120 -2.348 -1.679 -5.351 1.00 0.11 H new ATOM 0 HG LEU A 120 -3.702 -3.461 -3.275 1.00 0.17 H new ATOM 0 HD11 LEU A 120 -2.570 -1.986 -1.620 1.00 0.22 H new ATOM 0 HD12 LEU A 120 -1.383 -2.843 -2.632 1.00 0.22 H new ATOM 0 HD13 LEU A 120 -1.750 -1.131 -2.949 1.00 0.22 H new ATOM 0 HD21 LEU A 120 -4.787 -1.350 -2.553 1.00 0.15 H new ATOM 0 HD22 LEU A 120 -3.980 -0.482 -3.881 1.00 0.15 H new ATOM 0 HD23 LEU A 120 -5.191 -1.735 -4.243 1.00 0.15 H new ATOM 1938 N LYS A 121 -4.143 -1.012 -7.018 1.00 0.02 N ATOM 1939 CA LYS A 121 -4.970 0.143 -7.468 1.00 0.05 C ATOM 1940 C LYS A 121 -6.197 -0.372 -8.221 1.00 0.08 C ATOM 1941 O LYS A 121 -7.304 0.080 -8.006 1.00 0.12 O ATOM 1942 CB LYS A 121 -4.141 1.036 -8.393 1.00 0.12 C ATOM 1943 CG LYS A 121 -4.916 2.321 -8.693 1.00 0.17 C ATOM 1944 CD LYS A 121 -4.111 3.188 -9.664 1.00 0.17 C ATOM 1945 CE LYS A 121 -4.872 3.318 -10.985 1.00 1.05 C ATOM 1946 NZ LYS A 121 -4.016 4.015 -11.985 1.00 1.02 N ATOM 0 H LYS A 121 -3.150 -0.948 -7.241 1.00 0.02 H new ATOM 0 HA LYS A 121 -5.291 0.719 -6.600 1.00 0.05 H new ATOM 0 HB2 LYS A 121 -3.186 1.276 -7.925 1.00 0.12 H new ATOM 0 HB3 LYS A 121 -3.918 0.509 -9.320 1.00 0.12 H new ATOM 0 HG2 LYS A 121 -5.888 2.080 -9.124 1.00 0.17 H new ATOM 0 HG3 LYS A 121 -5.104 2.869 -7.770 1.00 0.17 H new ATOM 0 HD2 LYS A 121 -3.941 4.174 -9.232 1.00 0.17 H new ATOM 0 HD3 LYS A 121 -3.131 2.743 -9.839 1.00 0.17 H new ATOM 0 HE2 LYS A 121 -5.152 2.331 -11.355 1.00 1.05 H new ATOM 0 HE3 LYS A 121 -5.797 3.874 -10.831 1.00 1.05 H new ATOM 0 HZ1 LYS A 121 -4.607 4.359 -12.768 1.00 1.02 H new ATOM 0 HZ2 LYS A 121 -3.538 4.820 -11.532 1.00 1.02 H new ATOM 0 HZ3 LYS A 121 -3.304 3.353 -12.354 1.00 1.02 H new ATOM 1960 N THR A 122 -6.011 -1.315 -9.103 1.00 0.11 N ATOM 1961 CA THR A 122 -7.167 -1.860 -9.868 1.00 0.17 C ATOM 1962 C THR A 122 -8.177 -2.475 -8.898 1.00 0.18 C ATOM 1963 O THR A 122 -9.362 -2.219 -8.974 1.00 0.21 O ATOM 1964 CB THR A 122 -6.675 -2.934 -10.842 1.00 0.22 C ATOM 1965 OG1 THR A 122 -5.552 -2.441 -11.560 1.00 0.20 O ATOM 1966 CG2 THR A 122 -7.794 -3.290 -11.822 1.00 0.35 C ATOM 0 H THR A 122 -5.107 -1.732 -9.327 1.00 0.11 H new ATOM 0 HA THR A 122 -7.644 -1.055 -10.427 1.00 0.17 H new ATOM 0 HB THR A 122 -6.388 -3.826 -10.285 1.00 0.22 H new ATOM 0 HG1 THR A 122 -4.749 -2.514 -11.002 1.00 0.20 H new ATOM 0 HG21 THR A 122 -7.442 -4.055 -12.514 1.00 0.35 H new ATOM 0 HG22 THR A 122 -8.654 -3.669 -11.270 1.00 0.35 H new ATOM 0 HG23 THR A 122 -8.085 -2.401 -12.381 1.00 0.35 H new ATOM 1974 N ILE A 123 -7.717 -3.286 -7.984 1.00 0.19 N ATOM 1975 CA ILE A 123 -8.651 -3.917 -7.010 1.00 0.25 C ATOM 1976 C ILE A 123 -9.453 -2.828 -6.294 1.00 0.25 C ATOM 1977 O ILE A 123 -10.661 -2.903 -6.186 1.00 0.23 O ATOM 1978 CB ILE A 123 -7.850 -4.720 -5.983 1.00 0.25 C ATOM 1979 CG1 ILE A 123 -7.355 -6.017 -6.627 1.00 0.26 C ATOM 1980 CG2 ILE A 123 -8.743 -5.054 -4.787 1.00 0.29 C ATOM 1981 CD1 ILE A 123 -6.237 -6.617 -5.772 1.00 0.26 C ATOM 0 H ILE A 123 -6.735 -3.538 -7.870 1.00 0.19 H new ATOM 0 HA ILE A 123 -9.334 -4.582 -7.539 1.00 0.25 H new ATOM 0 HB ILE A 123 -6.997 -4.131 -5.646 1.00 0.25 H new ATOM 0 HG12 ILE A 123 -8.177 -6.727 -6.719 1.00 0.26 H new ATOM 0 HG13 ILE A 123 -6.990 -5.819 -7.635 1.00 0.26 H new ATOM 0 HG21 ILE A 123 -8.172 -5.626 -4.055 1.00 0.29 H new ATOM 0 HG22 ILE A 123 -9.098 -4.131 -4.329 1.00 0.29 H new ATOM 0 HG23 ILE A 123 -9.596 -5.644 -5.123 1.00 0.29 H new ATOM 0 HD11 ILE A 123 -5.884 -7.541 -6.230 1.00 0.26 H new ATOM 0 HD12 ILE A 123 -5.412 -5.908 -5.703 1.00 0.26 H new ATOM 0 HD13 ILE A 123 -6.617 -6.830 -4.773 1.00 0.26 H new ATOM 1993 N MET A 124 -8.791 -1.816 -5.803 1.00 0.29 N ATOM 1994 CA MET A 124 -9.518 -0.724 -5.095 1.00 0.30 C ATOM 1995 C MET A 124 -10.707 -0.271 -5.944 1.00 0.34 C ATOM 1996 O MET A 124 -11.845 -0.341 -5.523 1.00 0.42 O ATOM 1997 CB MET A 124 -8.570 0.457 -4.872 1.00 0.20 C ATOM 1998 CG MET A 124 -7.766 0.231 -3.591 1.00 0.29 C ATOM 1999 SD MET A 124 -8.660 0.937 -2.184 1.00 0.61 S ATOM 2000 CE MET A 124 -7.364 0.690 -0.946 1.00 0.62 C ATOM 0 H MET A 124 -7.780 -1.698 -5.861 1.00 0.29 H new ATOM 0 HA MET A 124 -9.877 -1.089 -4.133 1.00 0.30 H new ATOM 0 HB2 MET A 124 -7.897 0.562 -5.723 1.00 0.20 H new ATOM 0 HB3 MET A 124 -9.138 1.384 -4.799 1.00 0.20 H new ATOM 0 HG2 MET A 124 -7.604 -0.835 -3.434 1.00 0.29 H new ATOM 0 HG3 MET A 124 -6.783 0.693 -3.680 1.00 0.29 H new ATOM 0 HE1 MET A 124 -7.656 1.172 -0.013 1.00 0.62 H new ATOM 0 HE2 MET A 124 -7.223 -0.377 -0.775 1.00 0.62 H new ATOM 0 HE3 MET A 124 -6.431 1.127 -1.303 1.00 0.62 H new ATOM 2010 N ARG A 125 -10.454 0.194 -7.137 1.00 0.32 N ATOM 2011 CA ARG A 125 -11.571 0.652 -8.011 1.00 0.40 C ATOM 2012 C ARG A 125 -12.622 -0.455 -8.114 1.00 0.52 C ATOM 2013 O ARG A 125 -13.792 -0.196 -8.323 1.00 0.65 O ATOM 2014 CB ARG A 125 -11.028 0.974 -9.404 1.00 0.40 C ATOM 2015 CG ARG A 125 -9.783 1.853 -9.277 1.00 1.10 C ATOM 2016 CD ARG A 125 -9.750 2.860 -10.428 1.00 0.38 C ATOM 2017 NE ARG A 125 -9.788 2.131 -11.727 1.00 1.86 N ATOM 2018 CZ ARG A 125 -10.068 2.773 -12.828 1.00 2.34 C ATOM 2019 NH1 ARG A 125 -10.314 4.054 -12.792 1.00 2.13 N ATOM 2020 NH2 ARG A 125 -10.101 2.134 -13.965 1.00 3.62 N ATOM 0 H ARG A 125 -9.522 0.276 -7.544 1.00 0.32 H new ATOM 0 HA ARG A 125 -12.026 1.546 -7.584 1.00 0.40 H new ATOM 0 HB2 ARG A 125 -10.783 0.052 -9.932 1.00 0.40 H new ATOM 0 HB3 ARG A 125 -11.789 1.486 -9.993 1.00 0.40 H new ATOM 0 HG2 ARG A 125 -9.791 2.377 -8.321 1.00 1.10 H new ATOM 0 HG3 ARG A 125 -8.885 1.235 -9.294 1.00 1.10 H new ATOM 0 HD2 ARG A 125 -10.599 3.540 -10.355 1.00 0.38 H new ATOM 0 HD3 ARG A 125 -8.848 3.469 -10.367 1.00 0.38 H new ATOM 0 HE ARG A 125 -9.595 1.130 -11.756 1.00 1.86 H new ATOM 0 HH11 ARG A 125 -10.287 4.554 -11.903 1.00 2.13 H new ATOM 0 HH12 ARG A 125 -10.533 4.556 -13.653 1.00 2.13 H new ATOM 0 HH21 ARG A 125 -9.908 1.133 -13.993 1.00 3.62 H new ATOM 0 HH22 ARG A 125 -10.320 2.636 -14.826 1.00 3.62 H new ATOM 2034 N GLU A 126 -12.216 -1.686 -7.971 1.00 0.47 N ATOM 2035 CA GLU A 126 -13.193 -2.809 -8.061 1.00 0.59 C ATOM 2036 C GLU A 126 -14.164 -2.735 -6.881 1.00 0.57 C ATOM 2037 O GLU A 126 -15.350 -2.529 -7.052 1.00 0.57 O ATOM 2038 CB GLU A 126 -12.443 -4.142 -8.022 1.00 0.71 C ATOM 2039 CG GLU A 126 -13.238 -5.197 -8.794 1.00 0.92 C ATOM 2040 CD GLU A 126 -12.985 -5.033 -10.294 1.00 1.09 C ATOM 2041 OE1 GLU A 126 -11.830 -4.923 -10.671 1.00 1.82 O ATOM 2042 OE2 GLU A 126 -13.951 -5.020 -11.039 1.00 2.15 O ATOM 0 H GLU A 126 -11.250 -1.964 -7.796 1.00 0.47 H new ATOM 0 HA GLU A 126 -13.750 -2.733 -8.995 1.00 0.59 H new ATOM 0 HB2 GLU A 126 -11.451 -4.026 -8.459 1.00 0.71 H new ATOM 0 HB3 GLU A 126 -12.301 -4.462 -6.990 1.00 0.71 H new ATOM 0 HG2 GLU A 126 -12.944 -6.196 -8.472 1.00 0.92 H new ATOM 0 HG3 GLU A 126 -14.302 -5.094 -8.581 1.00 0.92 H new ATOM 2049 N LYS A 127 -13.671 -2.902 -5.684 1.00 0.60 N ATOM 2050 CA LYS A 127 -14.567 -2.841 -4.494 1.00 0.59 C ATOM 2051 C LYS A 127 -15.127 -1.425 -4.350 1.00 0.45 C ATOM 2052 O LYS A 127 -16.006 -1.173 -3.551 1.00 0.45 O ATOM 2053 CB LYS A 127 -13.772 -3.206 -3.239 1.00 0.63 C ATOM 2054 CG LYS A 127 -12.932 -4.456 -3.511 1.00 0.73 C ATOM 2055 CD LYS A 127 -12.562 -5.122 -2.184 1.00 0.89 C ATOM 2056 CE LYS A 127 -11.279 -5.935 -2.360 1.00 1.09 C ATOM 2057 NZ LYS A 127 -11.423 -6.842 -3.534 1.00 0.70 N ATOM 0 H LYS A 127 -12.687 -3.078 -5.479 1.00 0.60 H new ATOM 0 HA LYS A 127 -15.389 -3.545 -4.621 1.00 0.59 H new ATOM 0 HB2 LYS A 127 -13.126 -2.377 -2.951 1.00 0.63 H new ATOM 0 HB3 LYS A 127 -14.451 -3.386 -2.405 1.00 0.63 H new ATOM 0 HG2 LYS A 127 -13.490 -5.153 -4.137 1.00 0.73 H new ATOM 0 HG3 LYS A 127 -12.029 -4.188 -4.060 1.00 0.73 H new ATOM 0 HD2 LYS A 127 -12.422 -4.365 -1.412 1.00 0.89 H new ATOM 0 HD3 LYS A 127 -13.373 -5.770 -1.852 1.00 0.89 H new ATOM 0 HE2 LYS A 127 -10.430 -5.267 -2.505 1.00 1.09 H new ATOM 0 HE3 LYS A 127 -11.078 -6.516 -1.460 1.00 1.09 H new ATOM 0 HZ1 LYS A 127 -10.619 -7.500 -3.565 1.00 0.70 H new ATOM 0 HZ2 LYS A 127 -12.309 -7.381 -3.450 1.00 0.70 H new ATOM 0 HZ3 LYS A 127 -11.443 -6.278 -4.408 1.00 0.70 H new ATOM 2071 N TYR A 128 -14.624 -0.496 -5.118 1.00 0.36 N ATOM 2072 CA TYR A 128 -15.128 0.903 -5.024 1.00 0.27 C ATOM 2073 C TYR A 128 -16.516 0.989 -5.663 1.00 0.28 C ATOM 2074 O TYR A 128 -16.999 2.058 -5.977 1.00 0.32 O ATOM 2075 CB TYR A 128 -14.168 1.840 -5.759 1.00 0.25 C ATOM 2076 CG TYR A 128 -14.500 3.273 -5.414 1.00 0.19 C ATOM 2077 CD1 TYR A 128 -14.036 3.828 -4.216 1.00 0.13 C ATOM 2078 CD2 TYR A 128 -15.270 4.044 -6.292 1.00 0.23 C ATOM 2079 CE1 TYR A 128 -14.344 5.156 -3.896 1.00 0.12 C ATOM 2080 CE2 TYR A 128 -15.577 5.372 -5.973 1.00 0.18 C ATOM 2081 CZ TYR A 128 -15.114 5.928 -4.774 1.00 0.11 C ATOM 2082 OH TYR A 128 -15.417 7.237 -4.459 1.00 0.11 O ATOM 0 H TYR A 128 -13.886 -0.646 -5.806 1.00 0.36 H new ATOM 0 HA TYR A 128 -15.192 1.197 -3.976 1.00 0.27 H new ATOM 0 HB2 TYR A 128 -13.139 1.616 -5.479 1.00 0.25 H new ATOM 0 HB3 TYR A 128 -14.246 1.686 -6.835 1.00 0.25 H new ATOM 0 HD1 TYR A 128 -13.441 3.233 -3.539 1.00 0.13 H new ATOM 0 HD2 TYR A 128 -15.628 3.614 -7.216 1.00 0.23 H new ATOM 0 HE1 TYR A 128 -13.987 5.585 -2.971 1.00 0.12 H new ATOM 0 HE2 TYR A 128 -16.170 5.967 -6.651 1.00 0.18 H new ATOM 0 HH TYR A 128 -15.742 7.699 -5.260 1.00 0.11 H new ATOM 2092 N SER A 129 -17.159 -0.129 -5.860 1.00 0.51 N ATOM 2093 CA SER A 129 -18.515 -0.109 -6.478 1.00 0.52 C ATOM 2094 C SER A 129 -19.549 0.298 -5.428 1.00 0.40 C ATOM 2095 O SER A 129 -19.832 -0.438 -4.504 1.00 0.72 O ATOM 2096 CB SER A 129 -18.851 -1.503 -7.013 1.00 0.73 C ATOM 2097 OG SER A 129 -20.214 -1.534 -7.414 1.00 0.95 O ATOM 0 H SER A 129 -16.804 -1.055 -5.620 1.00 0.51 H new ATOM 0 HA SER A 129 -18.530 0.609 -7.298 1.00 0.52 H new ATOM 0 HB2 SER A 129 -18.206 -1.747 -7.857 1.00 0.73 H new ATOM 0 HB3 SER A 129 -18.668 -2.254 -6.245 1.00 0.73 H new ATOM 0 HG SER A 129 -20.433 -2.425 -7.759 1.00 0.95 H new ATOM 2103 N LYS A 130 -20.116 1.465 -5.562 1.00 0.40 N ATOM 2104 CA LYS A 130 -21.132 1.919 -4.570 1.00 0.59 C ATOM 2105 C LYS A 130 -21.794 3.205 -5.070 1.00 0.72 C ATOM 2106 O LYS A 130 -21.912 3.433 -6.257 1.00 1.17 O ATOM 2107 CB LYS A 130 -20.450 2.185 -3.227 1.00 0.47 C ATOM 2108 CG LYS A 130 -19.437 3.320 -3.385 1.00 0.39 C ATOM 2109 CD LYS A 130 -18.116 2.922 -2.720 1.00 0.71 C ATOM 2110 CE LYS A 130 -17.106 4.060 -2.872 1.00 0.78 C ATOM 2111 NZ LYS A 130 -15.976 3.850 -1.923 1.00 1.17 N ATOM 0 H LYS A 130 -19.920 2.124 -6.315 1.00 0.40 H new ATOM 0 HA LYS A 130 -21.890 1.145 -4.446 1.00 0.59 H new ATOM 0 HB2 LYS A 130 -21.194 2.449 -2.475 1.00 0.47 H new ATOM 0 HB3 LYS A 130 -19.949 1.283 -2.876 1.00 0.47 H new ATOM 0 HG2 LYS A 130 -19.275 3.533 -4.442 1.00 0.39 H new ATOM 0 HG3 LYS A 130 -19.824 4.233 -2.932 1.00 0.39 H new ATOM 0 HD2 LYS A 130 -18.279 2.705 -1.664 1.00 0.71 H new ATOM 0 HD3 LYS A 130 -17.726 2.012 -3.176 1.00 0.71 H new ATOM 0 HE2 LYS A 130 -16.734 4.096 -3.896 1.00 0.78 H new ATOM 0 HE3 LYS A 130 -17.588 5.017 -2.674 1.00 0.78 H new ATOM 0 HZ1 LYS A 130 -16.074 4.500 -1.117 1.00 1.17 H new ATOM 0 HZ2 LYS A 130 -15.989 2.868 -1.579 1.00 1.17 H new ATOM 0 HZ3 LYS A 130 -15.075 4.035 -2.409 1.00 1.17 H new ATOM 2125 N CYS A 131 -22.228 4.047 -4.173 1.00 0.65 N ATOM 2126 CA CYS A 131 -22.881 5.317 -4.597 1.00 0.78 C ATOM 2127 C CYS A 131 -21.989 6.037 -5.610 1.00 0.76 C ATOM 2128 O CYS A 131 -22.464 6.655 -6.541 1.00 0.98 O ATOM 2129 CB CYS A 131 -23.095 6.214 -3.376 1.00 0.74 C ATOM 2130 SG CYS A 131 -21.707 6.014 -2.231 1.00 0.35 S ATOM 0 H CYS A 131 -22.159 3.910 -3.165 1.00 0.65 H new ATOM 0 HA CYS A 131 -23.844 5.094 -5.056 1.00 0.78 H new ATOM 0 HB2 CYS A 131 -23.177 7.256 -3.686 1.00 0.74 H new ATOM 0 HB3 CYS A 131 -24.030 5.954 -2.880 1.00 0.74 H new ATOM 2135 N SER A 132 -20.697 5.961 -5.435 1.00 1.01 N ATOM 2136 CA SER A 132 -19.776 6.641 -6.387 1.00 1.29 C ATOM 2137 C SER A 132 -19.371 5.663 -7.492 1.00 1.52 C ATOM 2138 O SER A 132 -18.418 4.922 -7.361 1.00 1.98 O ATOM 2139 CB SER A 132 -18.526 7.110 -5.640 1.00 1.62 C ATOM 2140 OG SER A 132 -18.905 8.028 -4.623 1.00 2.49 O ATOM 0 H SER A 132 -20.241 5.457 -4.674 1.00 1.01 H new ATOM 0 HA SER A 132 -20.280 7.500 -6.829 1.00 1.29 H new ATOM 0 HB2 SER A 132 -18.008 6.257 -5.202 1.00 1.62 H new ATOM 0 HB3 SER A 132 -17.830 7.583 -6.333 1.00 1.62 H new ATOM 0 HG SER A 132 -18.107 8.330 -4.141 1.00 2.49 H new ATOM 2146 N SER A 133 -20.090 5.654 -8.581 1.00 1.48 N ATOM 2147 CA SER A 133 -19.747 4.723 -9.693 1.00 1.74 C ATOM 2148 C SER A 133 -18.524 5.254 -10.443 1.00 2.82 C ATOM 2149 O SER A 133 -18.569 6.392 -10.881 1.00 3.21 O ATOM 2150 CB SER A 133 -20.931 4.621 -10.655 1.00 1.92 C ATOM 2151 OG SER A 133 -20.639 3.655 -11.657 1.00 2.52 O ATOM 2152 OXT SER A 133 -17.562 4.513 -10.568 1.00 3.56 O ATOM 0 H SER A 133 -20.900 6.251 -8.749 1.00 1.48 H new ATOM 0 HA SER A 133 -19.524 3.737 -9.286 1.00 1.74 H new ATOM 0 HB2 SER A 133 -21.833 4.338 -10.112 1.00 1.92 H new ATOM 0 HB3 SER A 133 -21.127 5.590 -11.114 1.00 1.92 H new ATOM 0 HG SER A 133 -21.396 3.585 -12.275 1.00 2.52 H new TER 2158 SER A 133