USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 961 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 100 TYR OH : rot 180:sc= -1.1 USER MOD Set 1.2: A 104 MET CE :methyl 137:sc= -1.72 (180deg=-2.45!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-3.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-4.4) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.0169 (180deg=-0.215) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00366 USER MOD Single : A 42 TYR OH : rot 150:sc= 0.889 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.8) USER MOD Single : A 55 GLN : amide:sc= -0.545 X(o=-0.55,f=-0.53) USER MOD Single : A 56 GLN : amide:sc= -0.0273 K(o=-0.027,f=-1.2) USER MOD Single : A 58 ASN : amide:sc=0.000375 K(o=0.00037,f=-6!) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= -1.02 (180deg=-1.67!) USER MOD Single : A 62 CYS SG : rot -64:sc= -0.97 USER MOD Single : A 69 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= 0.00222 (180deg=0) USER MOD Single : A 76 CYS SG : rot -4:sc= -0.185 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 24:sc= 0.032 USER MOD Single : A 87 MET CE :methyl 164:sc= -0.288 (180deg=-0.566) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 97:sc= 1.19 USER MOD Single : A 94 CYS SG : rot -137:sc= -1.22 USER MOD Single : A 95 GLN : amide:sc=-0.00167 X(o=-0.0017,f=0) USER MOD Single : A 98 GLN : amide:sc= -2.27! C(o=-2.3!,f=-3.7!) USER MOD Single : A 99 GLN : amide:sc= -0.35 K(o=-0.35,f=-3.5!) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc=-0.000506 USER MOD Single : A 116 MET CE :methyl 177:sc= -2.97! (180deg=-3.06!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.0779 X(o=-0.078,f=-0.56) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 16.843 -2.992 8.596 1.00 0.00 N ATOM 67 CA ILE A 8 15.467 -2.648 8.932 1.00 0.00 C ATOM 68 C ILE A 8 14.484 -3.320 7.980 1.00 0.00 C ATOM 69 O ILE A 8 14.685 -3.357 6.765 1.00 0.00 O ATOM 70 CB ILE A 8 15.242 -1.125 8.893 1.00 0.00 C ATOM 71 CG1 ILE A 8 16.124 -0.430 9.933 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.775 -0.800 9.134 1.00 0.00 C ATOM 73 CD1 ILE A 8 15.952 1.072 9.964 1.00 0.00 C ATOM 0 HA ILE A 8 15.291 -3.007 9.946 1.00 0.00 H new ATOM 0 HB ILE A 8 15.519 -0.757 7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.896 -0.834 10.919 1.00 0.00 H new ATOM 0 HG13 ILE A 8 17.168 -0.664 9.726 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.632 0.280 9.103 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.167 -1.269 8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.474 -1.178 10.111 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.607 1.498 10.724 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.208 1.488 8.990 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.916 1.315 10.201 1.00 0.00 H new ATOM 85 N PRO A 9 13.394 -3.864 8.541 1.00 0.00 N ATOM 86 CA PRO A 9 12.356 -4.543 7.759 1.00 0.00 C ATOM 87 C PRO A 9 11.551 -3.574 6.900 1.00 0.00 C ATOM 88 O PRO A 9 10.646 -2.900 7.391 1.00 0.00 O ATOM 89 CB PRO A 9 11.464 -5.177 8.829 1.00 0.00 C ATOM 90 CG PRO A 9 11.664 -4.331 10.039 1.00 0.00 C ATOM 91 CD PRO A 9 13.090 -3.857 9.982 1.00 0.00 C ATOM 0 HA PRO A 9 12.779 -5.261 7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.419 -5.184 8.520 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.748 -6.212 9.018 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.973 -3.488 10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.479 -4.902 10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.200 -2.861 10.411 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.756 -4.518 10.536 1.00 0.00 H new ATOM 99 N GLU A 10 11.886 -3.511 5.615 1.00 0.00 N ATOM 100 CA GLU A 10 11.193 -2.624 4.688 1.00 0.00 C ATOM 101 C GLU A 10 10.741 -3.383 3.444 1.00 0.00 C ATOM 102 O GLU A 10 11.442 -4.269 2.954 1.00 0.00 O ATOM 103 CB GLU A 10 12.101 -1.460 4.286 1.00 0.00 C ATOM 104 CG GLU A 10 12.691 -0.711 5.470 1.00 0.00 C ATOM 105 CD GLU A 10 13.729 0.312 5.055 1.00 0.00 C ATOM 106 OE1 GLU A 10 13.501 1.012 4.046 1.00 0.00 O ATOM 107 OE2 GLU A 10 14.770 0.413 5.737 1.00 0.00 O ATOM 0 H GLU A 10 12.632 -4.063 5.193 1.00 0.00 H new ATOM 0 HA GLU A 10 10.311 -2.230 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.913 -1.841 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.532 -0.762 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.890 -0.210 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.145 -1.425 6.157 1.00 0.00 H new ATOM 114 N LEU A 11 9.564 -3.030 2.938 1.00 0.00 N ATOM 115 CA LEU A 11 9.017 -3.678 1.751 1.00 0.00 C ATOM 116 C LEU A 11 9.201 -2.799 0.518 1.00 0.00 C ATOM 117 O LEU A 11 9.117 -1.573 0.596 1.00 0.00 O ATOM 118 CB LEU A 11 7.532 -3.986 1.954 1.00 0.00 C ATOM 119 CG LEU A 11 7.206 -5.367 2.524 1.00 0.00 C ATOM 120 CD1 LEU A 11 5.929 -5.315 3.349 1.00 0.00 C ATOM 121 CD2 LEU A 11 7.079 -6.390 1.405 1.00 0.00 C ATOM 0 H LEU A 11 8.971 -2.299 3.331 1.00 0.00 H new ATOM 0 HA LEU A 11 9.558 -4.611 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.112 -3.232 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.025 -3.882 0.995 1.00 0.00 H new ATOM 0 HG LEU A 11 8.024 -5.672 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.712 -6.306 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.057 -4.613 4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.102 -4.988 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.847 -7.367 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.280 -6.090 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.019 -6.447 0.856 1.00 0.00 H new ATOM 133 N LYS A 12 9.451 -3.434 -0.622 1.00 0.00 N ATOM 134 CA LYS A 12 9.644 -2.713 -1.875 1.00 0.00 C ATOM 135 C LYS A 12 8.923 -3.412 -3.022 1.00 0.00 C ATOM 136 O LYS A 12 9.266 -4.535 -3.391 1.00 0.00 O ATOM 137 CB LYS A 12 11.136 -2.593 -2.193 1.00 0.00 C ATOM 138 CG LYS A 12 11.919 -1.806 -1.156 1.00 0.00 C ATOM 139 CD LYS A 12 13.086 -1.063 -1.784 1.00 0.00 C ATOM 140 CE LYS A 12 14.298 -1.968 -1.949 1.00 0.00 C ATOM 141 NZ LYS A 12 15.146 -1.556 -3.101 1.00 0.00 N ATOM 0 H LYS A 12 9.525 -4.448 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 12 9.222 -1.715 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.562 -3.593 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.254 -2.114 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.257 -1.095 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.290 -2.484 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.788 -0.671 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.351 -0.208 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.892 -1.949 -1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.966 -2.996 -2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.961 -2.197 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.587 -1.599 -3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.484 -0.584 -2.953 1.00 0.00 H new ATOM 155 N ASP A 13 7.924 -2.739 -3.584 1.00 0.00 N ATOM 156 CA ASP A 13 7.156 -3.295 -4.692 1.00 0.00 C ATOM 157 C ASP A 13 6.197 -2.256 -5.264 1.00 0.00 C ATOM 158 O ASP A 13 5.559 -1.510 -4.521 1.00 0.00 O ATOM 159 CB ASP A 13 6.377 -4.528 -4.232 1.00 0.00 C ATOM 160 CG ASP A 13 7.200 -5.799 -4.317 1.00 0.00 C ATOM 161 OD1 ASP A 13 7.628 -6.155 -5.435 1.00 0.00 O ATOM 162 OD2 ASP A 13 7.416 -6.437 -3.265 1.00 0.00 O ATOM 0 H ASP A 13 7.628 -1.808 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 13 7.855 -3.588 -5.476 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.045 -4.382 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.481 -4.637 -4.844 1.00 0.00 H new ATOM 167 N HIS A 14 6.102 -2.212 -6.589 1.00 0.00 N ATOM 168 CA HIS A 14 5.221 -1.264 -7.261 1.00 0.00 C ATOM 169 C HIS A 14 3.843 -1.875 -7.496 1.00 0.00 C ATOM 170 O HIS A 14 3.688 -2.789 -8.307 1.00 0.00 O ATOM 171 CB HIS A 14 5.831 -0.824 -8.593 1.00 0.00 C ATOM 172 CG HIS A 14 4.854 -0.147 -9.504 1.00 0.00 C ATOM 173 ND1 HIS A 14 4.369 -0.732 -10.655 1.00 0.00 N ATOM 174 CD2 HIS A 14 4.270 1.071 -9.428 1.00 0.00 C ATOM 175 CE1 HIS A 14 3.531 0.099 -11.249 1.00 0.00 C ATOM 176 NE2 HIS A 14 3.452 1.200 -10.524 1.00 0.00 N ATOM 0 H HIS A 14 6.624 -2.822 -7.218 1.00 0.00 H new ATOM 0 HA HIS A 14 5.107 -0.392 -6.617 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.662 -0.146 -8.397 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.244 -1.696 -9.100 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.419 1.805 -8.650 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.001 -0.090 -12.171 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.877 2.014 -10.742 1.00 0.00 H new ATOM 185 N LEU A 15 2.845 -1.364 -6.783 1.00 0.00 N ATOM 186 CA LEU A 15 1.479 -1.860 -6.913 1.00 0.00 C ATOM 187 C LEU A 15 0.738 -1.128 -8.027 1.00 0.00 C ATOM 188 O LEU A 15 1.322 -0.315 -8.744 1.00 0.00 O ATOM 189 CB LEU A 15 0.728 -1.696 -5.591 1.00 0.00 C ATOM 190 CG LEU A 15 1.411 -2.277 -4.353 1.00 0.00 C ATOM 191 CD1 LEU A 15 1.012 -1.500 -3.108 1.00 0.00 C ATOM 192 CD2 LEU A 15 1.068 -3.751 -4.197 1.00 0.00 C ATOM 0 H LEU A 15 2.956 -0.607 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 15 1.526 -2.919 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.559 -0.633 -5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.252 -2.162 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 15 2.490 -2.187 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.508 -1.928 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.310 -0.457 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.068 -1.557 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.563 -4.148 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.011 -3.864 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.406 -4.298 -5.077 1.00 0.00 H new ATOM 204 N ARG A 16 -0.550 -1.422 -8.166 1.00 0.00 N ATOM 205 CA ARG A 16 -1.371 -0.791 -9.193 1.00 0.00 C ATOM 206 C ARG A 16 -1.852 0.583 -8.736 1.00 0.00 C ATOM 207 O ARG A 16 -2.607 0.698 -7.770 1.00 0.00 O ATOM 208 CB ARG A 16 -2.572 -1.677 -9.530 1.00 0.00 C ATOM 209 CG ARG A 16 -2.302 -2.668 -10.650 1.00 0.00 C ATOM 210 CD ARG A 16 -3.269 -3.841 -10.601 1.00 0.00 C ATOM 211 NE ARG A 16 -3.053 -4.775 -11.703 1.00 0.00 N ATOM 212 CZ ARG A 16 -3.938 -5.696 -12.070 1.00 0.00 C ATOM 213 NH1 ARG A 16 -5.092 -5.805 -11.427 1.00 0.00 N ATOM 214 NH2 ARG A 16 -3.668 -6.509 -13.083 1.00 0.00 N ATOM 0 H ARG A 16 -1.048 -2.093 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.759 -0.664 -10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.871 -2.224 -8.636 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.413 -1.043 -9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.389 -2.164 -11.612 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.279 -3.035 -10.574 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.154 -4.366 -9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.293 -3.469 -10.637 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.175 -4.717 -12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.303 -5.181 -10.648 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.769 -6.513 -11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.781 -6.427 -13.580 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.347 -7.216 -13.365 1.00 0.00 H new ATOM 228 N ILE A 17 -1.407 1.622 -9.435 1.00 0.00 N ATOM 229 CA ILE A 17 -1.792 2.988 -9.102 1.00 0.00 C ATOM 230 C ILE A 17 -2.518 3.654 -10.266 1.00 0.00 C ATOM 231 O ILE A 17 -2.023 3.670 -11.393 1.00 0.00 O ATOM 232 CB ILE A 17 -0.568 3.840 -8.719 1.00 0.00 C ATOM 233 CG1 ILE A 17 -0.057 3.443 -7.332 1.00 0.00 C ATOM 234 CG2 ILE A 17 -0.920 5.320 -8.756 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.124 4.266 -6.866 1.00 0.00 C ATOM 0 H ILE A 17 -0.780 1.544 -10.235 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.464 2.927 -8.246 1.00 0.00 H new ATOM 0 HB ILE A 17 0.225 3.657 -9.444 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.868 3.546 -6.611 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.226 2.391 -7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.045 5.909 -8.483 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.242 5.592 -9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.726 5.520 -8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.433 3.930 -5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.951 4.144 -7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.839 5.317 -6.820 1.00 0.00 H new ATOM 247 N PHE A 18 -3.694 4.206 -9.985 1.00 0.00 N ATOM 248 CA PHE A 18 -4.488 4.876 -11.008 1.00 0.00 C ATOM 249 C PHE A 18 -5.220 6.081 -10.426 1.00 0.00 C ATOM 250 O PHE A 18 -5.834 5.994 -9.363 1.00 0.00 O ATOM 251 CB PHE A 18 -5.495 3.901 -11.622 1.00 0.00 C ATOM 252 CG PHE A 18 -6.458 4.552 -12.572 1.00 0.00 C ATOM 253 CD1 PHE A 18 -5.998 5.220 -13.696 1.00 0.00 C ATOM 254 CD2 PHE A 18 -7.823 4.498 -12.341 1.00 0.00 C ATOM 255 CE1 PHE A 18 -6.882 5.821 -14.572 1.00 0.00 C ATOM 256 CE2 PHE A 18 -8.712 5.096 -13.215 1.00 0.00 C ATOM 257 CZ PHE A 18 -8.241 5.760 -14.331 1.00 0.00 C ATOM 0 H PHE A 18 -4.118 4.202 -9.057 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.810 5.226 -11.787 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.953 3.115 -12.148 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.057 3.419 -10.821 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.937 5.271 -13.889 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.197 3.983 -11.468 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.511 6.338 -15.444 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.774 5.044 -13.025 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.933 6.230 -15.013 1.00 0.00 H new ATOM 267 N ARG A 19 -5.149 7.206 -11.131 1.00 0.00 N ATOM 268 CA ARG A 19 -5.803 8.430 -10.684 1.00 0.00 C ATOM 269 C ARG A 19 -6.676 9.014 -11.790 1.00 0.00 C ATOM 270 O ARG A 19 -6.227 9.812 -12.614 1.00 0.00 O ATOM 271 CB ARG A 19 -4.760 9.460 -10.246 1.00 0.00 C ATOM 272 CG ARG A 19 -3.901 8.999 -9.079 1.00 0.00 C ATOM 273 CD ARG A 19 -3.100 10.149 -8.488 1.00 0.00 C ATOM 274 NE ARG A 19 -1.836 9.697 -7.915 1.00 0.00 N ATOM 275 CZ ARG A 19 -0.997 10.495 -7.264 1.00 0.00 C ATOM 276 NH1 ARG A 19 -1.287 11.779 -7.105 1.00 0.00 N ATOM 277 NH2 ARG A 19 0.135 10.009 -6.771 1.00 0.00 N ATOM 0 H ARG A 19 -4.645 7.295 -12.014 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.439 8.183 -9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.114 9.692 -11.092 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.268 10.384 -9.970 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.536 8.563 -8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.222 8.215 -9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.902 10.889 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.691 10.644 -7.717 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.583 8.714 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.156 12.156 -7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.641 12.390 -6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.362 9.022 -6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.779 10.623 -6.271 1.00 0.00 H new ATOM 291 N PRO A 20 -7.955 8.609 -11.811 1.00 0.00 N ATOM 292 CA PRO A 20 -8.918 9.080 -12.810 1.00 0.00 C ATOM 293 C PRO A 20 -9.284 10.548 -12.617 1.00 0.00 C ATOM 294 O PRO A 20 -10.080 11.104 -13.374 1.00 0.00 O ATOM 295 CB PRO A 20 -10.140 8.189 -12.573 1.00 0.00 C ATOM 296 CG PRO A 20 -10.030 7.768 -11.148 1.00 0.00 C ATOM 297 CD PRO A 20 -8.558 7.661 -10.860 1.00 0.00 C ATOM 0 HA PRO A 20 -8.518 9.018 -13.822 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.067 8.732 -12.755 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.138 7.328 -13.242 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.505 8.495 -10.489 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.530 6.814 -10.983 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.330 7.927 -9.828 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.191 6.647 -11.016 1.00 0.00 H new ATOM 432 N TYR A 28 -2.454 1.873 -16.616 1.00 0.00 N ATOM 433 CA TYR A 28 -1.587 2.082 -15.463 1.00 0.00 C ATOM 434 C TYR A 28 -0.230 2.631 -15.894 1.00 0.00 C ATOM 435 O TYR A 28 0.046 2.768 -17.086 1.00 0.00 O ATOM 436 CB TYR A 28 -1.398 0.771 -14.696 1.00 0.00 C ATOM 437 CG TYR A 28 -2.567 0.417 -13.806 1.00 0.00 C ATOM 438 CD1 TYR A 28 -2.674 0.942 -12.524 1.00 0.00 C ATOM 439 CD2 TYR A 28 -3.565 -0.444 -14.246 1.00 0.00 C ATOM 440 CE1 TYR A 28 -3.740 0.621 -11.706 1.00 0.00 C ATOM 441 CE2 TYR A 28 -4.636 -0.769 -13.436 1.00 0.00 C ATOM 442 CZ TYR A 28 -4.719 -0.235 -12.167 1.00 0.00 C ATOM 443 OH TYR A 28 -5.783 -0.558 -11.357 1.00 0.00 O ATOM 0 HA TYR A 28 -2.064 2.813 -14.810 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.237 -0.038 -15.409 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.497 0.843 -14.087 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.910 1.613 -12.160 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.502 -0.866 -15.238 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.807 1.038 -10.712 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.404 -1.438 -13.795 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.382 -1.170 -11.833 1.00 0.00 H new ATOM 453 N ARG A 29 0.612 2.944 -14.915 1.00 0.00 N ATOM 454 CA ARG A 29 1.940 3.479 -15.192 1.00 0.00 C ATOM 455 C ARG A 29 2.998 2.772 -14.350 1.00 0.00 C ATOM 456 O ARG A 29 2.685 2.165 -13.326 1.00 0.00 O ATOM 457 CB ARG A 29 1.974 4.984 -14.915 1.00 0.00 C ATOM 458 CG ARG A 29 1.609 5.833 -16.121 1.00 0.00 C ATOM 459 CD ARG A 29 2.801 6.031 -17.045 1.00 0.00 C ATOM 460 NE ARG A 29 2.545 7.052 -18.057 1.00 0.00 N ATOM 461 CZ ARG A 29 2.501 8.353 -17.794 1.00 0.00 C ATOM 462 NH1 ARG A 29 2.695 8.790 -16.557 1.00 0.00 N ATOM 463 NH2 ARG A 29 2.263 9.221 -18.769 1.00 0.00 N ATOM 0 H ARG A 29 0.399 2.837 -13.923 1.00 0.00 H new ATOM 0 HA ARG A 29 2.163 3.304 -16.245 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.286 5.211 -14.100 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.972 5.260 -14.576 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.797 5.357 -16.670 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.242 6.803 -15.786 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.673 6.315 -16.456 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.041 5.087 -17.535 1.00 0.00 H new ATOM 0 HE ARG A 29 2.392 6.749 -19.019 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.879 8.126 -15.805 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.661 9.790 -16.358 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.114 8.889 -19.722 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.229 10.220 -18.566 1.00 0.00 H new ATOM 477 N GLN A 30 4.249 2.855 -14.790 1.00 0.00 N ATOM 478 CA GLN A 30 5.353 2.222 -14.077 1.00 0.00 C ATOM 479 C GLN A 30 5.972 3.183 -13.067 1.00 0.00 C ATOM 480 O GLN A 30 6.675 4.123 -13.440 1.00 0.00 O ATOM 481 CB GLN A 30 6.419 1.745 -15.064 1.00 0.00 C ATOM 482 CG GLN A 30 7.306 0.640 -14.515 1.00 0.00 C ATOM 483 CD GLN A 30 8.429 0.267 -15.463 1.00 0.00 C ATOM 484 OE1 GLN A 30 9.384 1.024 -15.640 1.00 0.00 O ATOM 485 NE2 GLN A 30 8.320 -0.905 -16.078 1.00 0.00 N ATOM 0 H GLN A 30 4.524 3.354 -15.636 1.00 0.00 H new ATOM 0 HA GLN A 30 4.957 1.362 -13.537 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.930 1.390 -15.971 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.043 2.592 -15.349 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.730 0.959 -13.563 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.698 -0.242 -14.313 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.511 -1.500 -15.901 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.045 -1.210 -16.727 1.00 0.00 H new ATOM 494 N HIS A 31 5.705 2.942 -11.787 1.00 0.00 N ATOM 495 CA HIS A 31 6.236 3.787 -10.724 1.00 0.00 C ATOM 496 C HIS A 31 6.994 2.953 -9.695 1.00 0.00 C ATOM 497 O HIS A 31 6.943 1.723 -9.720 1.00 0.00 O ATOM 498 CB HIS A 31 5.104 4.555 -10.040 1.00 0.00 C ATOM 499 CG HIS A 31 4.299 5.398 -10.980 1.00 0.00 C ATOM 500 ND1 HIS A 31 4.746 6.601 -11.483 1.00 0.00 N ATOM 501 CD2 HIS A 31 3.069 5.204 -11.511 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.826 7.112 -12.281 1.00 0.00 C ATOM 503 NE2 HIS A 31 2.797 6.283 -12.315 1.00 0.00 N ATOM 0 H HIS A 31 5.125 2.169 -11.461 1.00 0.00 H new ATOM 0 HA HIS A 31 6.929 4.499 -11.172 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.442 3.845 -9.544 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.526 5.193 -9.264 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.422 4.358 -11.335 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.902 8.048 -12.815 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.941 6.422 -12.851 1.00 0.00 H new ATOM 512 N TRP A 32 7.696 3.630 -8.794 1.00 0.00 N ATOM 513 CA TRP A 32 8.466 2.950 -7.758 1.00 0.00 C ATOM 514 C TRP A 32 7.897 3.247 -6.375 1.00 0.00 C ATOM 515 O TRP A 32 7.812 4.404 -5.962 1.00 0.00 O ATOM 516 CB TRP A 32 9.933 3.377 -7.821 1.00 0.00 C ATOM 517 CG TRP A 32 10.821 2.589 -6.907 1.00 0.00 C ATOM 518 CD1 TRP A 32 11.696 3.087 -5.984 1.00 0.00 C ATOM 519 CD2 TRP A 32 10.922 1.163 -6.829 1.00 0.00 C ATOM 520 NE1 TRP A 32 12.335 2.056 -5.337 1.00 0.00 N ATOM 521 CE2 TRP A 32 11.876 0.866 -5.837 1.00 0.00 C ATOM 522 CE3 TRP A 32 10.297 0.108 -7.499 1.00 0.00 C ATOM 523 CZ2 TRP A 32 12.219 -0.441 -5.502 1.00 0.00 C ATOM 524 CZ3 TRP A 32 10.638 -1.189 -7.166 1.00 0.00 C ATOM 525 CH2 TRP A 32 11.592 -1.455 -6.174 1.00 0.00 C ATOM 0 H TRP A 32 7.748 4.648 -8.759 1.00 0.00 H new ATOM 0 HA TRP A 32 8.399 1.877 -7.936 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.291 3.270 -8.845 1.00 0.00 H new ATOM 0 HB3 TRP A 32 10.007 4.434 -7.566 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.862 4.137 -5.791 1.00 0.00 H new ATOM 0 HE1 TRP A 32 13.037 2.160 -4.604 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.560 0.303 -8.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.954 -0.648 -4.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 10.162 -2.012 -7.679 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.837 -2.479 -5.936 1.00 0.00 H new ATOM 536 N VAL A 33 7.508 2.194 -5.661 1.00 0.00 N ATOM 537 CA VAL A 33 6.948 2.342 -4.323 1.00 0.00 C ATOM 538 C VAL A 33 7.828 1.662 -3.281 1.00 0.00 C ATOM 539 O VAL A 33 8.373 0.584 -3.521 1.00 0.00 O ATOM 540 CB VAL A 33 5.527 1.755 -4.242 1.00 0.00 C ATOM 541 CG1 VAL A 33 4.893 2.075 -2.896 1.00 0.00 C ATOM 542 CG2 VAL A 33 4.668 2.279 -5.383 1.00 0.00 C ATOM 0 H VAL A 33 7.571 1.230 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 33 6.904 3.411 -4.114 1.00 0.00 H new ATOM 0 HB VAL A 33 5.594 0.671 -4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.889 1.652 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.499 1.646 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.837 3.156 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.667 1.854 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.606 3.366 -5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.115 1.994 -6.335 1.00 0.00 H new ATOM 552 N VAL A 34 7.963 2.298 -2.122 1.00 0.00 N ATOM 553 CA VAL A 34 8.776 1.754 -1.041 1.00 0.00 C ATOM 554 C VAL A 34 8.085 1.927 0.307 1.00 0.00 C ATOM 555 O VAL A 34 7.736 3.041 0.699 1.00 0.00 O ATOM 556 CB VAL A 34 10.160 2.426 -0.986 1.00 0.00 C ATOM 557 CG1 VAL A 34 11.003 1.823 0.127 1.00 0.00 C ATOM 558 CG2 VAL A 34 10.866 2.302 -2.328 1.00 0.00 C ATOM 0 H VAL A 34 7.520 3.191 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 34 8.905 0.691 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 34 10.022 3.486 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.978 2.311 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.501 1.969 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.135 0.756 -0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.843 2.782 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.994 1.248 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.268 2.786 -3.100 1.00 0.00 H new ATOM 568 N PHE A 35 7.891 0.818 1.014 1.00 0.00 N ATOM 569 CA PHE A 35 7.241 0.847 2.319 1.00 0.00 C ATOM 570 C PHE A 35 8.274 0.908 3.440 1.00 0.00 C ATOM 571 O PHE A 35 9.194 0.092 3.497 1.00 0.00 O ATOM 572 CB PHE A 35 6.352 -0.385 2.496 1.00 0.00 C ATOM 573 CG PHE A 35 5.668 -0.444 3.833 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.963 0.648 4.314 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.731 -1.590 4.608 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.333 0.597 5.543 1.00 0.00 C ATOM 577 CE2 PHE A 35 5.103 -1.647 5.838 1.00 0.00 C ATOM 578 CZ PHE A 35 4.404 -0.551 6.306 1.00 0.00 C ATOM 0 H PHE A 35 8.175 -0.112 0.705 1.00 0.00 H new ATOM 0 HA PHE A 35 6.623 1.743 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.597 -0.394 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.958 -1.282 2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.905 1.549 3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.277 -2.449 4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.786 1.454 5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.159 -2.547 6.432 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.914 -0.592 7.267 1.00 0.00 H new ATOM 588 N LYS A 36 8.116 1.883 4.329 1.00 0.00 N ATOM 589 CA LYS A 36 9.033 2.053 5.450 1.00 0.00 C ATOM 590 C LYS A 36 8.315 1.840 6.778 1.00 0.00 C ATOM 591 O LYS A 36 7.093 1.964 6.860 1.00 0.00 O ATOM 592 CB LYS A 36 9.661 3.448 5.415 1.00 0.00 C ATOM 593 CG LYS A 36 10.678 3.685 6.517 1.00 0.00 C ATOM 594 CD LYS A 36 11.910 2.815 6.336 1.00 0.00 C ATOM 595 CE LYS A 36 13.034 3.238 7.270 1.00 0.00 C ATOM 596 NZ LYS A 36 13.608 4.556 6.885 1.00 0.00 N ATOM 0 H LYS A 36 7.361 2.568 4.295 1.00 0.00 H new ATOM 0 HA LYS A 36 9.820 1.305 5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.144 3.596 4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.871 4.195 5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.971 4.735 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.223 3.475 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.652 1.773 6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.252 2.877 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.657 3.290 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.820 2.482 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.526 4.686 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.741 4.589 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.959 5.315 7.175 1.00 0.00 H new ATOM 610 N GLU A 37 9.081 1.520 7.816 1.00 0.00 N ATOM 611 CA GLU A 37 8.516 1.291 9.141 1.00 0.00 C ATOM 612 C GLU A 37 7.247 2.114 9.340 1.00 0.00 C ATOM 613 O GLU A 37 6.140 1.575 9.372 1.00 0.00 O ATOM 614 CB GLU A 37 9.539 1.640 10.223 1.00 0.00 C ATOM 615 CG GLU A 37 10.920 1.061 9.965 1.00 0.00 C ATOM 616 CD GLU A 37 11.780 1.024 11.213 1.00 0.00 C ATOM 617 OE1 GLU A 37 12.374 2.069 11.555 1.00 0.00 O ATOM 618 OE2 GLU A 37 11.860 -0.048 11.848 1.00 0.00 O ATOM 0 H GLU A 37 10.094 1.413 7.765 1.00 0.00 H new ATOM 0 HA GLU A 37 8.260 0.235 9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.618 2.724 10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.176 1.277 11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.818 0.051 9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.421 1.654 9.200 1.00 0.00 H new ATOM 625 N THR A 38 7.415 3.426 9.476 1.00 0.00 N ATOM 626 CA THR A 38 6.285 4.325 9.674 1.00 0.00 C ATOM 627 C THR A 38 6.245 5.404 8.598 1.00 0.00 C ATOM 628 O THR A 38 5.687 6.483 8.805 1.00 0.00 O ATOM 629 CB THR A 38 6.339 4.998 11.059 1.00 0.00 C ATOM 630 OG1 THR A 38 7.701 5.209 11.448 1.00 0.00 O ATOM 631 CG2 THR A 38 5.633 4.146 12.103 1.00 0.00 C ATOM 0 H THR A 38 8.323 3.889 9.453 1.00 0.00 H new ATOM 0 HA THR A 38 5.382 3.717 9.608 1.00 0.00 H new ATOM 0 HB THR A 38 5.828 5.958 10.992 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.727 5.639 12.328 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.684 4.642 13.072 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.589 4.013 11.818 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.119 3.172 12.167 1.00 0.00 H new ATOM 639 N THR A 39 6.839 5.107 7.446 1.00 0.00 N ATOM 640 CA THR A 39 6.872 6.052 6.337 1.00 0.00 C ATOM 641 C THR A 39 6.575 5.357 5.014 1.00 0.00 C ATOM 642 O THR A 39 6.781 4.151 4.874 1.00 0.00 O ATOM 643 CB THR A 39 8.238 6.757 6.240 1.00 0.00 C ATOM 644 OG1 THR A 39 8.834 6.853 7.538 1.00 0.00 O ATOM 645 CG2 THR A 39 8.088 8.147 5.641 1.00 0.00 C ATOM 0 H THR A 39 7.304 4.219 7.257 1.00 0.00 H new ATOM 0 HA THR A 39 6.101 6.797 6.533 1.00 0.00 H new ATOM 0 HB THR A 39 8.882 6.165 5.589 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.703 7.301 7.467 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.066 8.625 5.582 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.662 8.068 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.429 8.745 6.270 1.00 0.00 H new ATOM 653 N LEU A 40 6.092 6.125 4.043 1.00 0.00 N ATOM 654 CA LEU A 40 5.768 5.582 2.728 1.00 0.00 C ATOM 655 C LEU A 40 5.943 6.640 1.644 1.00 0.00 C ATOM 656 O LEU A 40 5.420 7.749 1.755 1.00 0.00 O ATOM 657 CB LEU A 40 4.333 5.052 2.713 1.00 0.00 C ATOM 658 CG LEU A 40 4.035 3.948 1.698 1.00 0.00 C ATOM 659 CD1 LEU A 40 2.831 3.130 2.137 1.00 0.00 C ATOM 660 CD2 LEU A 40 3.804 4.542 0.316 1.00 0.00 C ATOM 0 H LEU A 40 5.916 7.125 4.141 1.00 0.00 H new ATOM 0 HA LEU A 40 6.454 4.761 2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.095 4.676 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.661 5.888 2.519 1.00 0.00 H new ATOM 0 HG LEU A 40 4.899 3.285 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.634 2.349 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.035 2.674 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.960 3.780 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.593 3.742 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.957 5.228 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.696 5.083 -0.001 1.00 0.00 H new ATOM 672 N SER A 41 6.680 6.289 0.595 1.00 0.00 N ATOM 673 CA SER A 41 6.926 7.209 -0.509 1.00 0.00 C ATOM 674 C SER A 41 7.104 6.450 -1.820 1.00 0.00 C ATOM 675 O SER A 41 7.394 5.253 -1.823 1.00 0.00 O ATOM 676 CB SER A 41 8.166 8.059 -0.226 1.00 0.00 C ATOM 677 OG SER A 41 7.995 8.836 0.946 1.00 0.00 O ATOM 0 H SER A 41 7.117 5.374 0.487 1.00 0.00 H new ATOM 0 HA SER A 41 6.060 7.864 -0.603 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.036 7.412 -0.114 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.363 8.714 -1.075 1.00 0.00 H new ATOM 0 HG SER A 41 8.802 9.369 1.106 1.00 0.00 H new ATOM 683 N TYR A 42 6.927 7.154 -2.933 1.00 0.00 N ATOM 684 CA TYR A 42 7.066 6.546 -4.251 1.00 0.00 C ATOM 685 C TYR A 42 7.830 7.467 -5.198 1.00 0.00 C ATOM 686 O TYR A 42 8.173 8.595 -4.842 1.00 0.00 O ATOM 687 CB TYR A 42 5.689 6.225 -4.835 1.00 0.00 C ATOM 688 CG TYR A 42 4.825 7.446 -5.055 1.00 0.00 C ATOM 689 CD1 TYR A 42 4.443 8.253 -3.990 1.00 0.00 C ATOM 690 CD2 TYR A 42 4.391 7.794 -6.328 1.00 0.00 C ATOM 691 CE1 TYR A 42 3.653 9.369 -4.186 1.00 0.00 C ATOM 692 CE2 TYR A 42 3.602 8.909 -6.534 1.00 0.00 C ATOM 693 CZ TYR A 42 3.235 9.693 -5.460 1.00 0.00 C ATOM 694 OH TYR A 42 2.449 10.805 -5.660 1.00 0.00 O ATOM 0 H TYR A 42 6.687 8.145 -2.949 1.00 0.00 H new ATOM 0 HA TYR A 42 7.631 5.621 -4.139 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.818 5.706 -5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.170 5.539 -4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.770 8.003 -2.991 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.675 7.182 -7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.364 9.984 -3.347 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.274 9.166 -7.531 1.00 0.00 H new ATOM 0 HH TYR A 42 2.624 11.174 -6.551 1.00 0.00 H new ATOM 704 N TYR A 43 8.091 6.979 -6.405 1.00 0.00 N ATOM 705 CA TYR A 43 8.816 7.756 -7.403 1.00 0.00 C ATOM 706 C TYR A 43 8.307 7.447 -8.808 1.00 0.00 C ATOM 707 O TYR A 43 7.471 6.564 -8.999 1.00 0.00 O ATOM 708 CB TYR A 43 10.315 7.465 -7.317 1.00 0.00 C ATOM 709 CG TYR A 43 10.870 7.560 -5.914 1.00 0.00 C ATOM 710 CD1 TYR A 43 10.502 6.644 -4.936 1.00 0.00 C ATOM 711 CD2 TYR A 43 11.762 8.567 -5.565 1.00 0.00 C ATOM 712 CE1 TYR A 43 11.007 6.727 -3.653 1.00 0.00 C ATOM 713 CE2 TYR A 43 12.273 8.657 -4.285 1.00 0.00 C ATOM 714 CZ TYR A 43 11.892 7.735 -3.332 1.00 0.00 C ATOM 715 OH TYR A 43 12.397 7.823 -2.055 1.00 0.00 O ATOM 0 H TYR A 43 7.811 6.049 -6.716 1.00 0.00 H new ATOM 0 HA TYR A 43 8.646 8.813 -7.198 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.506 6.465 -7.707 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.850 8.165 -7.959 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.809 5.853 -5.183 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.061 9.292 -6.308 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.710 6.006 -2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.967 9.445 -4.032 1.00 0.00 H new ATOM 0 HH TYR A 43 13.007 8.588 -1.996 1.00 0.00 H new ATOM 725 N LYS A 44 8.818 8.182 -9.790 1.00 0.00 N ATOM 726 CA LYS A 44 8.419 7.988 -11.179 1.00 0.00 C ATOM 727 C LYS A 44 9.360 7.019 -11.885 1.00 0.00 C ATOM 728 O LYS A 44 8.935 6.228 -12.728 1.00 0.00 O ATOM 729 CB LYS A 44 8.401 9.328 -11.918 1.00 0.00 C ATOM 730 CG LYS A 44 7.061 10.041 -11.854 1.00 0.00 C ATOM 731 CD LYS A 44 6.824 10.895 -13.089 1.00 0.00 C ATOM 732 CE LYS A 44 5.354 11.247 -13.249 1.00 0.00 C ATOM 733 NZ LYS A 44 5.167 12.526 -13.989 1.00 0.00 N ATOM 0 H LYS A 44 9.510 8.918 -9.649 1.00 0.00 H new ATOM 0 HA LYS A 44 7.416 7.562 -11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.169 9.977 -11.496 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.664 9.161 -12.962 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.261 9.307 -11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.024 10.669 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.413 11.810 -13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.170 10.361 -13.974 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.844 10.443 -13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.890 11.325 -12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.151 12.731 -14.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.632 13.298 -13.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.587 12.443 -14.937 1.00 0.00 H new ATOM 747 N SER A 45 10.641 7.083 -11.536 1.00 0.00 N ATOM 748 CA SER A 45 11.643 6.212 -12.138 1.00 0.00 C ATOM 749 C SER A 45 12.731 5.857 -11.130 1.00 0.00 C ATOM 750 O SER A 45 13.323 6.737 -10.504 1.00 0.00 O ATOM 751 CB SER A 45 12.266 6.887 -13.362 1.00 0.00 C ATOM 752 OG SER A 45 12.694 8.203 -13.056 1.00 0.00 O ATOM 0 H SER A 45 11.009 7.730 -10.839 1.00 0.00 H new ATOM 0 HA SER A 45 11.149 5.292 -12.451 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.113 6.298 -13.714 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.539 6.917 -14.174 1.00 0.00 H new ATOM 0 HG SER A 45 13.090 8.612 -13.854 1.00 0.00 H new ATOM 758 N GLN A 46 12.989 4.562 -10.978 1.00 0.00 N ATOM 759 CA GLN A 46 14.005 4.090 -10.045 1.00 0.00 C ATOM 760 C GLN A 46 15.265 4.945 -10.134 1.00 0.00 C ATOM 761 O GLN A 46 16.049 5.014 -9.187 1.00 0.00 O ATOM 762 CB GLN A 46 14.346 2.626 -10.328 1.00 0.00 C ATOM 763 CG GLN A 46 14.884 1.882 -9.116 1.00 0.00 C ATOM 764 CD GLN A 46 16.280 2.330 -8.728 1.00 0.00 C ATOM 765 OE1 GLN A 46 17.199 2.318 -9.548 1.00 0.00 O ATOM 766 NE2 GLN A 46 16.446 2.729 -7.473 1.00 0.00 N ATOM 0 H GLN A 46 12.509 3.821 -11.489 1.00 0.00 H new ATOM 0 HA GLN A 46 13.603 4.173 -9.035 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.453 2.117 -10.690 1.00 0.00 H new ATOM 0 HB3 GLN A 46 15.084 2.582 -11.129 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.210 2.034 -8.273 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.895 0.813 -9.326 1.00 0.00 H new ATOM 0 HE21 GLN A 46 15.657 2.723 -6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 46 17.363 3.042 -7.154 1.00 0.00 H new ATOM 775 N ASP A 47 15.454 5.593 -11.278 1.00 0.00 N ATOM 776 CA ASP A 47 16.619 6.444 -11.491 1.00 0.00 C ATOM 777 C ASP A 47 16.554 7.685 -10.606 1.00 0.00 C ATOM 778 O ASP A 47 17.544 8.067 -9.983 1.00 0.00 O ATOM 779 CB ASP A 47 16.715 6.855 -12.961 1.00 0.00 C ATOM 780 CG ASP A 47 16.787 5.661 -13.893 1.00 0.00 C ATOM 781 OD1 ASP A 47 17.884 5.081 -14.031 1.00 0.00 O ATOM 782 OD2 ASP A 47 15.745 5.306 -14.483 1.00 0.00 O ATOM 0 H ASP A 47 14.816 5.545 -12.072 1.00 0.00 H new ATOM 0 HA ASP A 47 17.509 5.874 -11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.850 7.464 -13.222 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.598 7.478 -13.104 1.00 0.00 H new ATOM 787 N GLU A 48 15.382 8.311 -10.558 1.00 0.00 N ATOM 788 CA GLU A 48 15.190 9.510 -9.751 1.00 0.00 C ATOM 789 C GLU A 48 15.445 9.219 -8.275 1.00 0.00 C ATOM 790 O GLU A 48 15.776 10.118 -7.502 1.00 0.00 O ATOM 791 CB GLU A 48 13.773 10.056 -9.937 1.00 0.00 C ATOM 792 CG GLU A 48 12.772 9.507 -8.934 1.00 0.00 C ATOM 793 CD GLU A 48 11.411 10.164 -9.048 1.00 0.00 C ATOM 794 OE1 GLU A 48 10.920 10.320 -10.186 1.00 0.00 O ATOM 795 OE2 GLU A 48 10.835 10.522 -7.999 1.00 0.00 O ATOM 0 H GLU A 48 14.552 8.008 -11.068 1.00 0.00 H new ATOM 0 HA GLU A 48 15.907 10.260 -10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.798 11.143 -9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.431 9.820 -10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.666 8.432 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.158 9.652 -7.925 1.00 0.00 H new ATOM 802 N ALA A 49 15.287 7.957 -7.891 1.00 0.00 N ATOM 803 CA ALA A 49 15.500 7.546 -6.509 1.00 0.00 C ATOM 804 C ALA A 49 16.953 7.145 -6.273 1.00 0.00 C ATOM 805 O ALA A 49 17.632 6.632 -7.162 1.00 0.00 O ATOM 806 CB ALA A 49 14.569 6.397 -6.149 1.00 0.00 C ATOM 0 H ALA A 49 15.012 7.201 -8.518 1.00 0.00 H new ATOM 0 HA ALA A 49 15.275 8.396 -5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.740 6.101 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.534 6.716 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.766 5.550 -6.806 1.00 0.00 H new ATOM 812 N PRO A 50 17.443 7.386 -5.048 1.00 0.00 N ATOM 813 CA PRO A 50 16.643 7.997 -3.982 1.00 0.00 C ATOM 814 C PRO A 50 16.340 9.466 -4.255 1.00 0.00 C ATOM 815 O PRO A 50 15.188 9.894 -4.191 1.00 0.00 O ATOM 816 CB PRO A 50 17.535 7.856 -2.745 1.00 0.00 C ATOM 817 CG PRO A 50 18.922 7.783 -3.284 1.00 0.00 C ATOM 818 CD PRO A 50 18.814 7.079 -4.609 1.00 0.00 C ATOM 0 HA PRO A 50 15.668 7.520 -3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 50 17.416 8.705 -2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 50 17.284 6.961 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 50 19.347 8.780 -3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 50 19.577 7.238 -2.604 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.555 7.445 -5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 50 18.972 6.005 -4.508 1.00 0.00 H new ATOM 826 N GLY A 51 17.381 10.234 -4.560 1.00 0.00 N ATOM 827 CA GLY A 51 17.204 11.648 -4.839 1.00 0.00 C ATOM 828 C GLY A 51 16.083 12.263 -4.024 1.00 0.00 C ATOM 829 O GLY A 51 16.256 12.559 -2.842 1.00 0.00 O ATOM 0 H GLY A 51 18.344 9.903 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 51 18.134 12.176 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.994 11.783 -5.900 1.00 0.00 H new ATOM 833 N ASP A 52 14.932 12.458 -4.658 1.00 0.00 N ATOM 834 CA ASP A 52 13.778 13.043 -3.984 1.00 0.00 C ATOM 835 C ASP A 52 12.485 12.379 -4.446 1.00 0.00 C ATOM 836 O ASP A 52 12.167 12.342 -5.635 1.00 0.00 O ATOM 837 CB ASP A 52 13.716 14.548 -4.249 1.00 0.00 C ATOM 838 CG ASP A 52 12.453 15.181 -3.697 1.00 0.00 C ATOM 839 OD1 ASP A 52 11.446 15.234 -4.433 1.00 0.00 O ATOM 840 OD2 ASP A 52 12.473 15.622 -2.529 1.00 0.00 O ATOM 0 H ASP A 52 14.773 12.220 -5.637 1.00 0.00 H new ATOM 0 HA ASP A 52 13.889 12.874 -2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.586 15.029 -3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.770 14.728 -5.323 1.00 0.00 H new ATOM 845 N PRO A 53 11.720 11.840 -3.485 1.00 0.00 N ATOM 846 CA PRO A 53 10.450 11.166 -3.768 1.00 0.00 C ATOM 847 C PRO A 53 9.366 12.140 -4.221 1.00 0.00 C ATOM 848 O PRO A 53 9.243 13.240 -3.682 1.00 0.00 O ATOM 849 CB PRO A 53 10.075 10.536 -2.425 1.00 0.00 C ATOM 850 CG PRO A 53 10.760 11.379 -1.406 1.00 0.00 C ATOM 851 CD PRO A 53 12.037 11.847 -2.047 1.00 0.00 C ATOM 0 HA PRO A 53 10.543 10.445 -4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.995 10.535 -2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.406 9.499 -2.368 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.136 12.224 -1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.964 10.808 -0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.318 12.842 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.870 11.183 -1.816 1.00 0.00 H new ATOM 859 N ILE A 54 8.583 11.727 -5.212 1.00 0.00 N ATOM 860 CA ILE A 54 7.509 12.562 -5.734 1.00 0.00 C ATOM 861 C ILE A 54 6.728 13.225 -4.604 1.00 0.00 C ATOM 862 O ILE A 54 6.398 14.408 -4.676 1.00 0.00 O ATOM 863 CB ILE A 54 6.536 11.748 -6.607 1.00 0.00 C ATOM 864 CG1 ILE A 54 7.226 11.301 -7.898 1.00 0.00 C ATOM 865 CG2 ILE A 54 5.293 12.567 -6.920 1.00 0.00 C ATOM 866 CD1 ILE A 54 6.427 10.290 -8.690 1.00 0.00 C ATOM 0 H ILE A 54 8.672 10.820 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 54 7.978 13.331 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 54 6.232 10.859 -6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.412 12.175 -8.522 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.197 10.872 -7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.615 11.978 -7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.793 12.839 -5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.579 13.472 -7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.976 10.018 -9.592 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.263 9.400 -8.083 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.466 10.722 -8.967 1.00 0.00 H new ATOM 878 N GLN A 55 6.438 12.454 -3.561 1.00 0.00 N ATOM 879 CA GLN A 55 5.697 12.967 -2.415 1.00 0.00 C ATOM 880 C GLN A 55 5.786 12.005 -1.235 1.00 0.00 C ATOM 881 O GLN A 55 5.616 10.797 -1.394 1.00 0.00 O ATOM 882 CB GLN A 55 4.233 13.199 -2.791 1.00 0.00 C ATOM 883 CG GLN A 55 3.567 14.304 -1.987 1.00 0.00 C ATOM 884 CD GLN A 55 4.443 15.533 -1.847 1.00 0.00 C ATOM 885 OE1 GLN A 55 4.621 16.295 -2.798 1.00 0.00 O ATOM 886 NE2 GLN A 55 4.997 15.733 -0.657 1.00 0.00 N ATOM 0 H GLN A 55 6.705 11.472 -3.486 1.00 0.00 H new ATOM 0 HA GLN A 55 6.144 13.917 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.173 13.446 -3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.678 12.272 -2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.630 14.584 -2.468 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.316 13.926 -0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.823 15.076 0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.597 16.544 -0.503 1.00 0.00 H new ATOM 895 N GLN A 56 6.054 12.551 -0.053 1.00 0.00 N ATOM 896 CA GLN A 56 6.166 11.740 1.154 1.00 0.00 C ATOM 897 C GLN A 56 4.987 11.988 2.088 1.00 0.00 C ATOM 898 O GLN A 56 4.546 13.126 2.260 1.00 0.00 O ATOM 899 CB GLN A 56 7.478 12.044 1.878 1.00 0.00 C ATOM 900 CG GLN A 56 7.554 13.457 2.433 1.00 0.00 C ATOM 901 CD GLN A 56 8.977 13.901 2.707 1.00 0.00 C ATOM 902 OE1 GLN A 56 9.919 13.117 2.585 1.00 0.00 O ATOM 903 NE2 GLN A 56 9.142 15.165 3.081 1.00 0.00 N ATOM 0 H GLN A 56 6.197 13.550 0.095 1.00 0.00 H new ATOM 0 HA GLN A 56 6.157 10.691 0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.605 11.334 2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.308 11.888 1.189 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.092 14.146 1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.976 13.512 3.356 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.333 15.780 3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.077 15.520 3.280 1.00 0.00 H new ATOM 912 N LEU A 57 4.479 10.918 2.690 1.00 0.00 N ATOM 913 CA LEU A 57 3.350 11.020 3.608 1.00 0.00 C ATOM 914 C LEU A 57 3.547 10.110 4.817 1.00 0.00 C ATOM 915 O LEU A 57 3.913 8.945 4.675 1.00 0.00 O ATOM 916 CB LEU A 57 2.049 10.658 2.889 1.00 0.00 C ATOM 917 CG LEU A 57 1.846 11.288 1.511 1.00 0.00 C ATOM 918 CD1 LEU A 57 2.749 10.625 0.483 1.00 0.00 C ATOM 919 CD2 LEU A 57 0.388 11.187 1.088 1.00 0.00 C ATOM 0 H LEU A 57 4.831 9.970 2.559 1.00 0.00 H new ATOM 0 HA LEU A 57 3.290 12.050 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.007 9.574 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.213 10.948 3.525 1.00 0.00 H new ATOM 0 HG LEU A 57 2.113 12.343 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.591 11.086 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.791 10.750 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.514 9.562 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.262 11.641 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.094 10.138 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.238 11.710 1.811 1.00 0.00 H new ATOM 931 N ASN A 58 3.298 10.651 6.005 1.00 0.00 N ATOM 932 CA ASN A 58 3.446 9.888 7.239 1.00 0.00 C ATOM 933 C ASN A 58 2.146 9.173 7.596 1.00 0.00 C ATOM 934 O ASN A 58 1.186 9.797 8.049 1.00 0.00 O ATOM 935 CB ASN A 58 3.866 10.809 8.386 1.00 0.00 C ATOM 936 CG ASN A 58 2.862 11.918 8.634 1.00 0.00 C ATOM 937 OD1 ASN A 58 2.281 12.466 7.697 1.00 0.00 O ATOM 938 ND2 ASN A 58 2.654 12.254 9.902 1.00 0.00 N ATOM 0 H ASN A 58 2.993 11.615 6.139 1.00 0.00 H new ATOM 0 HA ASN A 58 4.221 9.138 7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.985 10.221 9.296 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.838 11.247 8.160 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.990 12.994 10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.158 11.772 10.647 1.00 0.00 H new ATOM 945 N LEU A 59 2.123 7.861 7.389 1.00 0.00 N ATOM 946 CA LEU A 59 0.941 7.060 7.689 1.00 0.00 C ATOM 947 C LEU A 59 0.328 7.473 9.023 1.00 0.00 C ATOM 948 O LEU A 59 -0.887 7.407 9.208 1.00 0.00 O ATOM 949 CB LEU A 59 1.302 5.574 7.719 1.00 0.00 C ATOM 950 CG LEU A 59 1.529 4.911 6.360 1.00 0.00 C ATOM 951 CD1 LEU A 59 2.497 3.745 6.490 1.00 0.00 C ATOM 952 CD2 LEU A 59 0.208 4.445 5.767 1.00 0.00 C ATOM 0 H LEU A 59 2.909 7.329 7.015 1.00 0.00 H new ATOM 0 HA LEU A 59 0.206 7.233 6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.206 5.452 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.505 5.037 8.234 1.00 0.00 H new ATOM 0 HG LEU A 59 1.967 5.648 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.646 3.285 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.452 4.106 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.087 3.007 7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.389 3.976 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.258 3.724 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.454 5.301 5.637 1.00 0.00 H new ATOM 964 N LYS A 60 1.177 7.903 9.951 1.00 0.00 N ATOM 965 CA LYS A 60 0.720 8.331 11.268 1.00 0.00 C ATOM 966 C LYS A 60 -0.289 9.468 11.150 1.00 0.00 C ATOM 967 O LYS A 60 0.085 10.636 11.056 1.00 0.00 O ATOM 968 CB LYS A 60 1.909 8.776 12.123 1.00 0.00 C ATOM 969 CG LYS A 60 2.521 7.654 12.943 1.00 0.00 C ATOM 970 CD LYS A 60 1.853 7.527 14.302 1.00 0.00 C ATOM 971 CE LYS A 60 2.505 8.437 15.332 1.00 0.00 C ATOM 972 NZ LYS A 60 2.196 9.872 15.080 1.00 0.00 N ATOM 0 H LYS A 60 2.186 7.964 9.815 1.00 0.00 H new ATOM 0 HA LYS A 60 0.231 7.484 11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.675 9.199 11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.586 9.571 12.795 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.427 6.713 12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.587 7.839 13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.795 7.776 14.213 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.910 6.493 14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.162 8.161 16.329 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.585 8.290 15.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.418 10.429 15.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.767 10.215 14.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.186 9.975 14.853 1.00 0.00 H new ATOM 986 N GLY A 61 -1.572 9.119 11.158 1.00 0.00 N ATOM 987 CA GLY A 61 -2.615 10.122 11.053 1.00 0.00 C ATOM 988 C GLY A 61 -3.536 9.880 9.873 1.00 0.00 C ATOM 989 O GLY A 61 -4.678 10.340 9.864 1.00 0.00 O ATOM 0 H GLY A 61 -1.907 8.159 11.235 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.201 10.130 11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.159 11.107 10.958 1.00 0.00 H new ATOM 993 N CYS A 62 -3.039 9.157 8.876 1.00 0.00 N ATOM 994 CA CYS A 62 -3.825 8.857 7.684 1.00 0.00 C ATOM 995 C CYS A 62 -4.910 7.830 7.992 1.00 0.00 C ATOM 996 O CYS A 62 -4.864 7.155 9.021 1.00 0.00 O ATOM 997 CB CYS A 62 -2.918 8.338 6.567 1.00 0.00 C ATOM 998 SG CYS A 62 -2.420 6.611 6.762 1.00 0.00 S ATOM 0 H CYS A 62 -2.096 8.768 8.869 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.305 9.778 7.354 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.434 8.451 5.613 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.024 8.960 6.521 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.698 6.486 7.836 1.00 0.00 H new ATOM 1004 N GLU A 63 -5.885 7.719 7.095 1.00 0.00 N ATOM 1005 CA GLU A 63 -6.982 6.776 7.274 1.00 0.00 C ATOM 1006 C GLU A 63 -6.757 5.515 6.446 1.00 0.00 C ATOM 1007 O GLU A 63 -5.919 5.492 5.544 1.00 0.00 O ATOM 1008 CB GLU A 63 -8.311 7.426 6.882 1.00 0.00 C ATOM 1009 CG GLU A 63 -9.513 6.831 7.596 1.00 0.00 C ATOM 1010 CD GLU A 63 -9.315 6.739 9.096 1.00 0.00 C ATOM 1011 OE1 GLU A 63 -9.269 7.799 9.755 1.00 0.00 O ATOM 1012 OE2 GLU A 63 -9.205 5.607 9.611 1.00 0.00 O ATOM 0 H GLU A 63 -5.937 8.270 6.238 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.018 6.496 8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.262 8.493 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.452 7.325 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.393 7.439 7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.711 5.836 7.198 1.00 0.00 H new ATOM 1019 N VAL A 64 -7.509 4.465 6.759 1.00 0.00 N ATOM 1020 CA VAL A 64 -7.393 3.200 6.045 1.00 0.00 C ATOM 1021 C VAL A 64 -8.766 2.634 5.701 1.00 0.00 C ATOM 1022 O VAL A 64 -9.540 2.271 6.587 1.00 0.00 O ATOM 1023 CB VAL A 64 -6.613 2.159 6.870 1.00 0.00 C ATOM 1024 CG1 VAL A 64 -6.524 0.839 6.119 1.00 0.00 C ATOM 1025 CG2 VAL A 64 -5.226 2.682 7.213 1.00 0.00 C ATOM 0 H VAL A 64 -8.206 4.466 7.504 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.847 3.406 5.124 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.151 1.983 7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.969 0.116 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.528 0.459 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.010 0.994 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.689 1.934 7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.677 2.888 6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.317 3.599 7.795 1.00 0.00 H new ATOM 1035 N VAL A 65 -9.063 2.560 4.407 1.00 0.00 N ATOM 1036 CA VAL A 65 -10.343 2.037 3.945 1.00 0.00 C ATOM 1037 C VAL A 65 -10.144 0.889 2.962 1.00 0.00 C ATOM 1038 O VAL A 65 -9.872 1.093 1.779 1.00 0.00 O ATOM 1039 CB VAL A 65 -11.188 3.135 3.272 1.00 0.00 C ATOM 1040 CG1 VAL A 65 -12.617 2.657 3.065 1.00 0.00 C ATOM 1041 CG2 VAL A 65 -11.159 4.411 4.099 1.00 0.00 C ATOM 0 H VAL A 65 -8.434 2.856 3.660 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.872 1.671 4.825 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.758 3.353 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.199 3.446 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.616 1.772 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.061 2.410 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.761 5.176 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.564 4.211 5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.131 4.762 4.191 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.284 -0.348 3.461 1.00 0.00 N ATOM 1052 CA PRO A 66 -10.126 -1.554 2.642 1.00 0.00 C ATOM 1053 C PRO A 66 -11.259 -1.725 1.637 1.00 0.00 C ATOM 1054 O PRO A 66 -12.400 -1.347 1.903 1.00 0.00 O ATOM 1055 CB PRO A 66 -10.148 -2.687 3.672 1.00 0.00 C ATOM 1056 CG PRO A 66 -10.917 -2.136 4.824 1.00 0.00 C ATOM 1057 CD PRO A 66 -10.609 -0.665 4.862 1.00 0.00 C ATOM 0 HA PRO A 66 -9.217 -1.523 2.041 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.625 -3.580 3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.139 -2.972 3.969 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.986 -2.308 4.697 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.624 -2.620 5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.461 -0.085 5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.774 -0.446 5.528 1.00 0.00 H new ATOM 1065 N ASP A 67 -10.937 -2.298 0.482 1.00 0.00 N ATOM 1066 CA ASP A 67 -11.929 -2.521 -0.563 1.00 0.00 C ATOM 1067 C ASP A 67 -12.039 -4.004 -0.901 1.00 0.00 C ATOM 1068 O ASP A 67 -12.538 -4.375 -1.963 1.00 0.00 O ATOM 1069 CB ASP A 67 -11.567 -1.725 -1.818 1.00 0.00 C ATOM 1070 CG ASP A 67 -12.774 -1.435 -2.689 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -13.585 -2.359 -2.907 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -12.908 -0.283 -3.151 1.00 0.00 O ATOM 0 H ASP A 67 -9.997 -2.616 0.246 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.895 -2.179 -0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.099 -0.785 -1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.830 -2.281 -2.397 1.00 0.00 H new ATOM 1077 N VAL A 68 -11.569 -4.850 0.011 1.00 0.00 N ATOM 1078 CA VAL A 68 -11.614 -6.293 -0.190 1.00 0.00 C ATOM 1079 C VAL A 68 -13.014 -6.750 -0.584 1.00 0.00 C ATOM 1080 O VAL A 68 -13.955 -6.650 0.202 1.00 0.00 O ATOM 1081 CB VAL A 68 -11.178 -7.050 1.079 1.00 0.00 C ATOM 1082 CG1 VAL A 68 -11.154 -8.549 0.825 1.00 0.00 C ATOM 1083 CG2 VAL A 68 -9.817 -6.559 1.550 1.00 0.00 C ATOM 0 H VAL A 68 -11.153 -4.560 0.896 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.919 -6.522 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.904 -6.851 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.844 -9.067 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.150 -8.885 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.451 -8.771 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.524 -7.104 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.078 -6.727 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.872 -5.494 1.774 1.00 0.00 H new ATOM 1093 N ASN A 69 -13.144 -7.251 -1.808 1.00 0.00 N ATOM 1094 CA ASN A 69 -14.430 -7.723 -2.308 1.00 0.00 C ATOM 1095 C ASN A 69 -14.330 -9.168 -2.786 1.00 0.00 C ATOM 1096 O ASN A 69 -14.327 -9.438 -3.988 1.00 0.00 O ATOM 1097 CB ASN A 69 -14.917 -6.829 -3.450 1.00 0.00 C ATOM 1098 CG ASN A 69 -16.430 -6.765 -3.531 1.00 0.00 C ATOM 1099 OD1 ASN A 69 -17.033 -7.256 -4.485 1.00 0.00 O ATOM 1100 ND2 ASN A 69 -17.050 -6.157 -2.526 1.00 0.00 N ATOM 0 H ASN A 69 -12.375 -7.341 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.148 -7.678 -1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -14.521 -5.823 -3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.521 -7.203 -4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.067 -6.083 -2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.509 -5.764 -1.756 1.00 0.00 H new ATOM 1107 N VAL A 70 -14.250 -10.096 -1.837 1.00 0.00 N ATOM 1108 CA VAL A 70 -14.152 -11.514 -2.161 1.00 0.00 C ATOM 1109 C VAL A 70 -15.012 -11.863 -3.370 1.00 0.00 C ATOM 1110 O VAL A 70 -14.620 -12.672 -4.211 1.00 0.00 O ATOM 1111 CB VAL A 70 -14.580 -12.392 -0.970 1.00 0.00 C ATOM 1112 CG1 VAL A 70 -14.585 -13.861 -1.364 1.00 0.00 C ATOM 1113 CG2 VAL A 70 -13.666 -12.154 0.223 1.00 0.00 C ATOM 0 H VAL A 70 -14.251 -9.891 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 70 -13.106 -11.714 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.594 -12.115 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -14.890 -14.466 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -15.284 -14.015 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.584 -14.157 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.983 -12.782 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.640 -12.403 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.719 -11.106 0.519 1.00 0.00 H new ATOM 1123 N SER A 71 -16.187 -11.246 -3.452 1.00 0.00 N ATOM 1124 CA SER A 71 -17.105 -11.493 -4.557 1.00 0.00 C ATOM 1125 C SER A 71 -16.340 -11.742 -5.853 1.00 0.00 C ATOM 1126 O SER A 71 -16.551 -12.749 -6.528 1.00 0.00 O ATOM 1127 CB SER A 71 -18.056 -10.308 -4.733 1.00 0.00 C ATOM 1128 OG SER A 71 -18.913 -10.502 -5.845 1.00 0.00 O ATOM 0 H SER A 71 -16.525 -10.571 -2.766 1.00 0.00 H new ATOM 0 HA SER A 71 -17.687 -12.384 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 71 -18.652 -10.178 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.480 -9.393 -4.869 1.00 0.00 H new ATOM 0 HG SER A 71 -19.512 -9.731 -5.935 1.00 0.00 H new ATOM 1134 N GLY A 72 -15.449 -10.816 -6.195 1.00 0.00 N ATOM 1135 CA GLY A 72 -14.666 -10.953 -7.409 1.00 0.00 C ATOM 1136 C GLY A 72 -13.174 -10.936 -7.141 1.00 0.00 C ATOM 1137 O GLY A 72 -12.427 -10.211 -7.798 1.00 0.00 O ATOM 0 H GLY A 72 -15.256 -9.974 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.932 -11.886 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.918 -10.143 -8.094 1.00 0.00 H new ATOM 1141 N GLN A 73 -12.740 -11.737 -6.173 1.00 0.00 N ATOM 1142 CA GLN A 73 -11.327 -11.809 -5.818 1.00 0.00 C ATOM 1143 C GLN A 73 -10.658 -10.447 -5.967 1.00 0.00 C ATOM 1144 O GLN A 73 -9.518 -10.349 -6.422 1.00 0.00 O ATOM 1145 CB GLN A 73 -10.612 -12.840 -6.694 1.00 0.00 C ATOM 1146 CG GLN A 73 -11.133 -14.256 -6.515 1.00 0.00 C ATOM 1147 CD GLN A 73 -10.486 -14.973 -5.346 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -9.501 -15.693 -5.513 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -11.037 -14.780 -4.154 1.00 0.00 N ATOM 0 H GLN A 73 -13.346 -12.345 -5.621 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.255 -12.116 -4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.718 -12.552 -7.740 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.546 -12.822 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.212 -14.226 -6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.954 -14.823 -7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.853 -14.175 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.645 -15.237 -3.331 1.00 0.00 H new ATOM 1158 N LYS A 74 -11.374 -9.396 -5.581 1.00 0.00 N ATOM 1159 CA LYS A 74 -10.851 -8.038 -5.670 1.00 0.00 C ATOM 1160 C LYS A 74 -10.269 -7.591 -4.333 1.00 0.00 C ATOM 1161 O LYS A 74 -10.873 -7.798 -3.281 1.00 0.00 O ATOM 1162 CB LYS A 74 -11.954 -7.072 -6.107 1.00 0.00 C ATOM 1163 CG LYS A 74 -11.510 -5.620 -6.147 1.00 0.00 C ATOM 1164 CD LYS A 74 -12.698 -4.675 -6.211 1.00 0.00 C ATOM 1165 CE LYS A 74 -12.259 -3.221 -6.134 1.00 0.00 C ATOM 1166 NZ LYS A 74 -13.416 -2.287 -6.217 1.00 0.00 N ATOM 0 H LYS A 74 -12.319 -9.459 -5.203 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.054 -8.030 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.309 -7.362 -7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.799 -7.166 -5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.913 -5.397 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.868 -5.459 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.247 -4.842 -7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.382 -4.893 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.723 -3.053 -5.200 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.562 -3.009 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.120 -1.409 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.183 -2.732 -6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.754 -2.067 -5.258 1.00 0.00 H new ATOM 1180 N PHE A 75 -9.092 -6.975 -4.381 1.00 0.00 N ATOM 1181 CA PHE A 75 -8.429 -6.498 -3.174 1.00 0.00 C ATOM 1182 C PHE A 75 -7.665 -5.205 -3.447 1.00 0.00 C ATOM 1183 O PHE A 75 -6.673 -5.200 -4.176 1.00 0.00 O ATOM 1184 CB PHE A 75 -7.472 -7.564 -2.636 1.00 0.00 C ATOM 1185 CG PHE A 75 -8.036 -8.955 -2.688 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -7.908 -9.727 -3.831 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -8.693 -9.492 -1.592 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -8.426 -11.007 -3.882 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -9.213 -10.772 -1.637 1.00 0.00 C ATOM 1190 CZ PHE A 75 -9.078 -11.531 -2.783 1.00 0.00 C ATOM 0 H PHE A 75 -8.578 -6.795 -5.243 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.195 -6.296 -2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.546 -7.534 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.215 -7.323 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.397 -9.324 -4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.800 -8.904 -0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.321 -11.597 -4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.724 -11.178 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.481 -12.532 -2.820 1.00 0.00 H new ATOM 1200 N CYS A 76 -8.136 -4.111 -2.858 1.00 0.00 N ATOM 1201 CA CYS A 76 -7.499 -2.812 -3.038 1.00 0.00 C ATOM 1202 C CYS A 76 -7.420 -2.056 -1.716 1.00 0.00 C ATOM 1203 O CYS A 76 -8.302 -2.181 -0.865 1.00 0.00 O ATOM 1204 CB CYS A 76 -8.268 -1.983 -4.068 1.00 0.00 C ATOM 1205 SG CYS A 76 -7.378 -0.520 -4.651 1.00 0.00 S ATOM 0 H CYS A 76 -8.956 -4.098 -2.252 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.485 -2.980 -3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.506 -2.615 -4.923 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.216 -1.668 -3.631 1.00 0.00 H new ATOM 0 HG CYS A 76 -6.255 -0.409 -4.005 1.00 0.00 H new ATOM 1211 N ILE A 77 -6.359 -1.275 -1.549 1.00 0.00 N ATOM 1212 CA ILE A 77 -6.165 -0.500 -0.330 1.00 0.00 C ATOM 1213 C ILE A 77 -6.331 0.993 -0.594 1.00 0.00 C ATOM 1214 O ILE A 77 -5.452 1.634 -1.171 1.00 0.00 O ATOM 1215 CB ILE A 77 -4.774 -0.750 0.282 1.00 0.00 C ATOM 1216 CG1 ILE A 77 -4.567 -2.244 0.538 1.00 0.00 C ATOM 1217 CG2 ILE A 77 -4.611 0.041 1.570 1.00 0.00 C ATOM 1218 CD1 ILE A 77 -3.116 -2.630 0.725 1.00 0.00 C ATOM 0 H ILE A 77 -5.620 -1.162 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.928 -0.829 0.376 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.017 -0.413 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.129 -2.533 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.980 -2.808 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.623 -0.147 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.720 1.105 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.374 -0.267 2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.045 -3.703 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.552 -2.372 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.704 -2.093 1.579 1.00 0.00 H new ATOM 1230 N LYS A 78 -7.463 1.542 -0.168 1.00 0.00 N ATOM 1231 CA LYS A 78 -7.745 2.960 -0.355 1.00 0.00 C ATOM 1232 C LYS A 78 -7.117 3.791 0.760 1.00 0.00 C ATOM 1233 O LYS A 78 -7.661 3.883 1.861 1.00 0.00 O ATOM 1234 CB LYS A 78 -9.255 3.200 -0.395 1.00 0.00 C ATOM 1235 CG LYS A 78 -9.636 4.610 -0.815 1.00 0.00 C ATOM 1236 CD LYS A 78 -11.130 4.848 -0.677 1.00 0.00 C ATOM 1237 CE LYS A 78 -11.444 6.325 -0.495 1.00 0.00 C ATOM 1238 NZ LYS A 78 -12.810 6.666 -0.982 1.00 0.00 N ATOM 0 H LYS A 78 -8.201 1.025 0.310 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.309 3.269 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.709 2.489 -1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.673 2.998 0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.094 5.332 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.334 4.777 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.643 4.472 -1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.512 4.286 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.358 6.587 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.707 6.922 -1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.986 7.681 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.884 6.440 -1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.515 6.115 -0.452 1.00 0.00 H new ATOM 1252 N LEU A 79 -5.970 4.395 0.467 1.00 0.00 N ATOM 1253 CA LEU A 79 -5.269 5.220 1.444 1.00 0.00 C ATOM 1254 C LEU A 79 -5.757 6.664 1.387 1.00 0.00 C ATOM 1255 O LEU A 79 -6.034 7.196 0.311 1.00 0.00 O ATOM 1256 CB LEU A 79 -3.761 5.169 1.196 1.00 0.00 C ATOM 1257 CG LEU A 79 -2.871 5.360 2.424 1.00 0.00 C ATOM 1258 CD1 LEU A 79 -2.947 4.143 3.333 1.00 0.00 C ATOM 1259 CD2 LEU A 79 -1.432 5.626 2.005 1.00 0.00 C ATOM 0 H LEU A 79 -5.506 4.329 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.481 4.823 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.520 4.207 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.507 5.937 0.465 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.232 6.226 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.307 4.297 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.976 3.998 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.612 3.260 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.813 5.759 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.059 4.781 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.391 6.529 1.395 1.00 0.00 H new ATOM 1271 N LEU A 80 -5.857 7.296 2.552 1.00 0.00 N ATOM 1272 CA LEU A 80 -6.309 8.680 2.635 1.00 0.00 C ATOM 1273 C LEU A 80 -5.400 9.496 3.549 1.00 0.00 C ATOM 1274 O LEU A 80 -5.338 9.256 4.755 1.00 0.00 O ATOM 1275 CB LEU A 80 -7.750 8.737 3.147 1.00 0.00 C ATOM 1276 CG LEU A 80 -8.834 8.331 2.148 1.00 0.00 C ATOM 1277 CD1 LEU A 80 -8.773 9.210 0.908 1.00 0.00 C ATOM 1278 CD2 LEU A 80 -8.689 6.864 1.771 1.00 0.00 C ATOM 0 H LEU A 80 -5.631 6.872 3.452 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.268 9.110 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.830 8.091 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.955 9.754 3.482 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.807 8.470 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.552 8.907 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.926 10.251 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.797 9.103 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.469 6.592 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.711 6.700 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.783 6.248 2.665 1.00 0.00 H new ATOM 1290 N VAL A 81 -4.697 10.462 2.967 1.00 0.00 N ATOM 1291 CA VAL A 81 -3.794 11.316 3.729 1.00 0.00 C ATOM 1292 C VAL A 81 -4.160 12.787 3.566 1.00 0.00 C ATOM 1293 O VAL A 81 -3.870 13.415 2.548 1.00 0.00 O ATOM 1294 CB VAL A 81 -2.330 11.111 3.297 1.00 0.00 C ATOM 1295 CG1 VAL A 81 -1.385 11.806 4.265 1.00 0.00 C ATOM 1296 CG2 VAL A 81 -2.007 9.628 3.195 1.00 0.00 C ATOM 0 H VAL A 81 -4.735 10.673 1.970 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.899 11.033 4.776 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.194 11.557 2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.355 11.650 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.602 12.874 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.519 11.393 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.969 9.502 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.159 9.155 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.662 9.163 2.458 1.00 0.00 H new ATOM 1306 N PRO A 82 -4.812 13.352 4.593 1.00 0.00 N ATOM 1307 CA PRO A 82 -5.231 14.757 4.588 1.00 0.00 C ATOM 1308 C PRO A 82 -4.049 15.714 4.685 1.00 0.00 C ATOM 1309 O PRO A 82 -3.120 15.492 5.462 1.00 0.00 O ATOM 1310 CB PRO A 82 -6.113 14.868 5.834 1.00 0.00 C ATOM 1311 CG PRO A 82 -5.632 13.784 6.737 1.00 0.00 C ATOM 1312 CD PRO A 82 -5.191 12.663 5.838 1.00 0.00 C ATOM 0 HA PRO A 82 -5.740 15.028 3.663 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.014 15.847 6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.166 14.738 5.586 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.808 14.132 7.360 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.424 13.456 7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.352 12.113 6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.992 11.943 5.671 1.00 0.00 H new ATOM 1320 N SER A 83 -4.090 16.780 3.892 1.00 0.00 N ATOM 1321 CA SER A 83 -3.019 17.771 3.886 1.00 0.00 C ATOM 1322 C SER A 83 -3.576 19.171 3.650 1.00 0.00 C ATOM 1323 O SER A 83 -4.682 19.349 3.138 1.00 0.00 O ATOM 1324 CB SER A 83 -1.987 17.431 2.809 1.00 0.00 C ATOM 1325 OG SER A 83 -1.005 16.540 3.307 1.00 0.00 O ATOM 0 H SER A 83 -4.853 16.980 3.245 1.00 0.00 H new ATOM 0 HA SER A 83 -2.534 17.752 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.487 16.983 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.508 18.345 2.458 1.00 0.00 H new ATOM 0 HG SER A 83 -1.374 16.035 4.061 1.00 0.00 H new ATOM 1331 N PRO A 84 -2.793 20.191 4.033 1.00 0.00 N ATOM 1332 CA PRO A 84 -3.186 21.594 3.873 1.00 0.00 C ATOM 1333 C PRO A 84 -3.204 22.028 2.411 1.00 0.00 C ATOM 1334 O PRO A 84 -3.538 23.170 2.097 1.00 0.00 O ATOM 1335 CB PRO A 84 -2.105 22.355 4.643 1.00 0.00 C ATOM 1336 CG PRO A 84 -0.919 21.453 4.622 1.00 0.00 C ATOM 1337 CD PRO A 84 -1.464 20.052 4.651 1.00 0.00 C ATOM 0 HA PRO A 84 -4.197 21.778 4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -1.883 23.312 4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.422 22.568 5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.318 21.619 3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.273 21.638 5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.831 19.363 4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.532 19.668 5.669 1.00 0.00 H new ATOM 1345 N GLU A 85 -2.842 21.109 1.521 1.00 0.00 N ATOM 1346 CA GLU A 85 -2.817 21.398 0.092 1.00 0.00 C ATOM 1347 C GLU A 85 -4.130 20.988 -0.570 1.00 0.00 C ATOM 1348 O GLU A 85 -4.637 21.682 -1.449 1.00 0.00 O ATOM 1349 CB GLU A 85 -1.648 20.673 -0.577 1.00 0.00 C ATOM 1350 CG GLU A 85 -0.312 21.373 -0.394 1.00 0.00 C ATOM 1351 CD GLU A 85 -0.119 22.524 -1.362 1.00 0.00 C ATOM 1352 OE1 GLU A 85 -0.140 22.279 -2.586 1.00 0.00 O ATOM 1353 OE2 GLU A 85 0.054 23.670 -0.895 1.00 0.00 O ATOM 0 H GLU A 85 -2.562 20.159 1.764 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.688 22.473 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.578 19.663 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.854 20.575 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.238 21.746 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.494 20.651 -0.528 1.00 0.00 H new ATOM 1360 N GLY A 86 -4.674 19.854 -0.139 1.00 0.00 N ATOM 1361 CA GLY A 86 -5.922 19.370 -0.700 1.00 0.00 C ATOM 1362 C GLY A 86 -6.259 17.966 -0.239 1.00 0.00 C ATOM 1363 O GLY A 86 -6.701 17.767 0.893 1.00 0.00 O ATOM 0 H GLY A 86 -4.273 19.262 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.730 20.045 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.858 19.386 -1.788 1.00 0.00 H new ATOM 1367 N MET A 87 -6.052 16.991 -1.117 1.00 0.00 N ATOM 1368 CA MET A 87 -6.338 15.598 -0.793 1.00 0.00 C ATOM 1369 C MET A 87 -5.397 14.661 -1.545 1.00 0.00 C ATOM 1370 O MET A 87 -5.247 14.762 -2.762 1.00 0.00 O ATOM 1371 CB MET A 87 -7.791 15.261 -1.133 1.00 0.00 C ATOM 1372 CG MET A 87 -8.383 14.169 -0.256 1.00 0.00 C ATOM 1373 SD MET A 87 -7.471 12.617 -0.370 1.00 0.00 S ATOM 1374 CE MET A 87 -7.119 12.304 1.358 1.00 0.00 C ATOM 0 H MET A 87 -5.687 17.139 -2.058 1.00 0.00 H new ATOM 0 HA MET A 87 -6.182 15.460 0.277 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.397 16.162 -1.036 1.00 0.00 H new ATOM 0 HB3 MET A 87 -7.849 14.949 -2.176 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.392 14.506 0.781 1.00 0.00 H new ATOM 0 HG3 MET A 87 -9.420 13.999 -0.545 1.00 0.00 H new ATOM 0 HE1 MET A 87 -6.819 11.264 1.486 1.00 0.00 H new ATOM 0 HE2 MET A 87 -6.312 12.958 1.689 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.012 12.500 1.952 1.00 0.00 H new ATOM 1384 N SER A 88 -4.766 13.750 -0.811 1.00 0.00 N ATOM 1385 CA SER A 88 -3.837 12.798 -1.408 1.00 0.00 C ATOM 1386 C SER A 88 -4.395 11.379 -1.341 1.00 0.00 C ATOM 1387 O SER A 88 -4.026 10.597 -0.466 1.00 0.00 O ATOM 1388 CB SER A 88 -2.484 12.859 -0.698 1.00 0.00 C ATOM 1389 OG SER A 88 -1.761 14.017 -1.078 1.00 0.00 O ATOM 0 H SER A 88 -4.881 13.651 0.198 1.00 0.00 H new ATOM 0 HA SER A 88 -3.702 13.068 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.636 12.859 0.381 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.903 11.969 -0.938 1.00 0.00 H new ATOM 0 HG SER A 88 -0.901 14.034 -0.609 1.00 0.00 H new ATOM 1395 N GLU A 89 -5.287 11.056 -2.272 1.00 0.00 N ATOM 1396 CA GLU A 89 -5.897 9.732 -2.319 1.00 0.00 C ATOM 1397 C GLU A 89 -5.247 8.871 -3.398 1.00 0.00 C ATOM 1398 O GLU A 89 -5.306 9.196 -4.584 1.00 0.00 O ATOM 1399 CB GLU A 89 -7.400 9.848 -2.580 1.00 0.00 C ATOM 1400 CG GLU A 89 -8.061 8.525 -2.927 1.00 0.00 C ATOM 1401 CD GLU A 89 -9.575 8.618 -2.956 1.00 0.00 C ATOM 1402 OE1 GLU A 89 -10.170 8.915 -1.899 1.00 0.00 O ATOM 1403 OE2 GLU A 89 -10.163 8.394 -4.034 1.00 0.00 O ATOM 0 H GLU A 89 -5.603 11.693 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.739 9.253 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.883 10.265 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.565 10.552 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.703 8.189 -3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.761 7.771 -2.199 1.00 0.00 H new ATOM 1410 N ILE A 90 -4.628 7.774 -2.977 1.00 0.00 N ATOM 1411 CA ILE A 90 -3.967 6.866 -3.907 1.00 0.00 C ATOM 1412 C ILE A 90 -4.646 5.500 -3.917 1.00 0.00 C ATOM 1413 O ILE A 90 -5.124 5.025 -2.887 1.00 0.00 O ATOM 1414 CB ILE A 90 -2.479 6.685 -3.556 1.00 0.00 C ATOM 1415 CG1 ILE A 90 -1.682 7.925 -3.963 1.00 0.00 C ATOM 1416 CG2 ILE A 90 -1.921 5.443 -4.236 1.00 0.00 C ATOM 1417 CD1 ILE A 90 -1.705 9.026 -2.925 1.00 0.00 C ATOM 0 H ILE A 90 -4.570 7.492 -1.998 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.045 7.316 -4.897 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.389 6.556 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.648 7.636 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.081 8.312 -4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.868 5.329 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.474 4.565 -3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.021 5.544 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.120 9.874 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.734 9.342 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.278 8.656 -1.993 1.00 0.00 H new ATOM 1429 N TYR A 91 -4.683 4.873 -5.088 1.00 0.00 N ATOM 1430 CA TYR A 91 -5.303 3.562 -5.233 1.00 0.00 C ATOM 1431 C TYR A 91 -4.247 2.477 -5.423 1.00 0.00 C ATOM 1432 O TYR A 91 -3.360 2.598 -6.270 1.00 0.00 O ATOM 1433 CB TYR A 91 -6.270 3.560 -6.418 1.00 0.00 C ATOM 1434 CG TYR A 91 -7.536 4.349 -6.168 1.00 0.00 C ATOM 1435 CD1 TYR A 91 -8.228 4.226 -4.969 1.00 0.00 C ATOM 1436 CD2 TYR A 91 -8.039 5.216 -7.129 1.00 0.00 C ATOM 1437 CE1 TYR A 91 -9.385 4.944 -4.736 1.00 0.00 C ATOM 1438 CE2 TYR A 91 -9.194 5.939 -6.904 1.00 0.00 C ATOM 1439 CZ TYR A 91 -9.864 5.799 -5.707 1.00 0.00 C ATOM 1440 OH TYR A 91 -11.016 6.517 -5.479 1.00 0.00 O ATOM 0 H TYR A 91 -4.291 5.252 -5.950 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.857 3.348 -4.319 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.763 3.970 -7.291 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.535 2.530 -6.658 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.855 3.558 -4.207 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.518 5.327 -8.069 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.911 4.837 -3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.570 6.610 -7.662 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.784 7.418 -5.172 1.00 0.00 H new ATOM 1450 N LEU A 92 -4.347 1.417 -4.629 1.00 0.00 N ATOM 1451 CA LEU A 92 -3.402 0.309 -4.708 1.00 0.00 C ATOM 1452 C LEU A 92 -4.134 -1.025 -4.820 1.00 0.00 C ATOM 1453 O LEU A 92 -4.823 -1.445 -3.890 1.00 0.00 O ATOM 1454 CB LEU A 92 -2.490 0.302 -3.480 1.00 0.00 C ATOM 1455 CG LEU A 92 -1.839 1.638 -3.120 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -1.169 1.555 -1.757 1.00 0.00 C ATOM 1457 CD2 LEU A 92 -0.833 2.046 -4.187 1.00 0.00 C ATOM 0 H LEU A 92 -5.074 1.301 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.795 0.445 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.071 -0.039 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.701 -0.432 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.618 2.399 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.711 2.515 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.914 1.309 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.401 0.781 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.380 2.999 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.057 1.284 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.341 2.147 -5.146 1.00 0.00 H new ATOM 1469 N ARG A 93 -3.977 -1.686 -5.962 1.00 0.00 N ATOM 1470 CA ARG A 93 -4.623 -2.972 -6.194 1.00 0.00 C ATOM 1471 C ARG A 93 -3.591 -4.095 -6.256 1.00 0.00 C ATOM 1472 O ARG A 93 -2.633 -4.030 -7.028 1.00 0.00 O ATOM 1473 CB ARG A 93 -5.429 -2.935 -7.493 1.00 0.00 C ATOM 1474 CG ARG A 93 -6.205 -4.214 -7.766 1.00 0.00 C ATOM 1475 CD ARG A 93 -7.586 -4.174 -7.132 1.00 0.00 C ATOM 1476 NE ARG A 93 -8.408 -5.311 -7.537 1.00 0.00 N ATOM 1477 CZ ARG A 93 -9.003 -5.404 -8.721 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -8.868 -4.431 -9.612 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -9.734 -6.471 -9.016 1.00 0.00 N ATOM 0 H ARG A 93 -3.408 -1.353 -6.740 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.298 -3.167 -5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.127 -2.098 -7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.751 -2.747 -8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.302 -4.360 -8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.650 -5.068 -7.377 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.486 -4.167 -6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.087 -3.247 -7.412 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.532 -6.076 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.306 -3.609 -9.389 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.326 -4.504 -10.521 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.840 -7.221 -8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.190 -6.541 -9.926 1.00 0.00 H new ATOM 1493 N CYS A 94 -3.792 -5.122 -5.438 1.00 0.00 N ATOM 1494 CA CYS A 94 -2.879 -6.258 -5.398 1.00 0.00 C ATOM 1495 C CYS A 94 -3.376 -7.388 -6.295 1.00 0.00 C ATOM 1496 O CYS A 94 -4.576 -7.515 -6.539 1.00 0.00 O ATOM 1497 CB CYS A 94 -2.720 -6.762 -3.963 1.00 0.00 C ATOM 1498 SG CYS A 94 -1.838 -5.621 -2.873 1.00 0.00 S ATOM 0 H CYS A 94 -4.579 -5.191 -4.793 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.909 -5.925 -5.768 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.708 -6.955 -3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.190 -7.714 -3.980 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.997 -6.286 -2.138 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.447 -8.203 -6.782 1.00 0.00 N ATOM 1505 CA GLN A 95 -2.792 -9.320 -7.653 1.00 0.00 C ATOM 1506 C GLN A 95 -3.607 -10.366 -6.901 1.00 0.00 C ATOM 1507 O GLN A 95 -4.694 -10.750 -7.334 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.525 -9.958 -8.225 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.787 -11.229 -9.017 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.663 -11.561 -9.978 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.496 -11.679 -9.580 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -1.001 -11.714 -11.253 1.00 0.00 N ATOM 0 H GLN A 95 -1.450 -8.111 -6.588 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.398 -8.935 -8.473 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.024 -9.236 -8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.841 -10.184 -7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.926 -12.061 -8.326 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.717 -11.119 -9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.974 -11.607 -11.539 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.287 -11.938 -11.946 1.00 0.00 H new ATOM 1521 N ASP A 96 -3.076 -10.823 -5.772 1.00 0.00 N ATOM 1522 CA ASP A 96 -3.755 -11.825 -4.958 1.00 0.00 C ATOM 1523 C ASP A 96 -3.954 -11.322 -3.532 1.00 0.00 C ATOM 1524 O ASP A 96 -3.472 -10.249 -3.170 1.00 0.00 O ATOM 1525 CB ASP A 96 -2.956 -13.129 -4.945 1.00 0.00 C ATOM 1526 CG ASP A 96 -3.349 -14.060 -6.076 1.00 0.00 C ATOM 1527 OD1 ASP A 96 -4.495 -14.556 -6.064 1.00 0.00 O ATOM 1528 OD2 ASP A 96 -2.510 -14.293 -6.972 1.00 0.00 O ATOM 0 H ASP A 96 -2.178 -10.516 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.734 -12.012 -5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.893 -12.901 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.108 -13.635 -3.992 1.00 0.00 H new ATOM 1533 N GLU A 97 -4.668 -12.104 -2.728 1.00 0.00 N ATOM 1534 CA GLU A 97 -4.932 -11.736 -1.342 1.00 0.00 C ATOM 1535 C GLU A 97 -3.654 -11.799 -0.510 1.00 0.00 C ATOM 1536 O GLU A 97 -3.507 -11.074 0.474 1.00 0.00 O ATOM 1537 CB GLU A 97 -5.992 -12.660 -0.739 1.00 0.00 C ATOM 1538 CG GLU A 97 -5.592 -14.125 -0.735 1.00 0.00 C ATOM 1539 CD GLU A 97 -4.874 -14.530 0.539 1.00 0.00 C ATOM 1540 OE1 GLU A 97 -5.562 -14.881 1.520 1.00 0.00 O ATOM 1541 OE2 GLU A 97 -3.627 -14.496 0.554 1.00 0.00 O ATOM 0 H GLU A 97 -5.074 -12.996 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.304 -10.711 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.196 -12.345 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.921 -12.547 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.483 -14.741 -0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.947 -14.324 -1.590 1.00 0.00 H new ATOM 1548 N GLN A 98 -2.735 -12.671 -0.911 1.00 0.00 N ATOM 1549 CA GLN A 98 -1.472 -12.830 -0.202 1.00 0.00 C ATOM 1550 C GLN A 98 -0.734 -11.499 -0.100 1.00 0.00 C ATOM 1551 O GLN A 98 -0.531 -10.974 0.995 1.00 0.00 O ATOM 1552 CB GLN A 98 -0.591 -13.861 -0.910 1.00 0.00 C ATOM 1553 CG GLN A 98 -0.855 -15.292 -0.468 1.00 0.00 C ATOM 1554 CD GLN A 98 -0.309 -15.586 0.915 1.00 0.00 C ATOM 1555 OE1 GLN A 98 0.353 -14.746 1.525 1.00 0.00 O ATOM 1556 NE2 GLN A 98 -0.584 -16.783 1.418 1.00 0.00 N ATOM 0 H GLN A 98 -2.842 -13.278 -1.724 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.692 -13.182 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.751 -13.786 -1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.456 -13.620 -0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.929 -15.479 -0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.405 -15.979 -1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.136 -17.449 0.878 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.243 -17.037 2.345 1.00 0.00 H new ATOM 1565 N GLN A 99 -0.335 -10.959 -1.247 1.00 0.00 N ATOM 1566 CA GLN A 99 0.381 -9.689 -1.285 1.00 0.00 C ATOM 1567 C GLN A 99 -0.399 -8.602 -0.554 1.00 0.00 C ATOM 1568 O GLN A 99 0.178 -7.791 0.170 1.00 0.00 O ATOM 1569 CB GLN A 99 0.634 -9.266 -2.733 1.00 0.00 C ATOM 1570 CG GLN A 99 1.506 -8.028 -2.861 1.00 0.00 C ATOM 1571 CD GLN A 99 2.974 -8.321 -2.622 1.00 0.00 C ATOM 1572 OE1 GLN A 99 3.324 -9.312 -1.980 1.00 0.00 O ATOM 1573 NE2 GLN A 99 3.843 -7.459 -3.138 1.00 0.00 N ATOM 0 H GLN A 99 -0.495 -11.381 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 99 1.338 -9.825 -0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.107 -10.090 -3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.323 -9.078 -3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.382 -7.602 -3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.169 -7.275 -2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.509 -6.651 -3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.844 -7.605 -3.009 1.00 0.00 H new ATOM 1582 N TYR A 100 -1.713 -8.591 -0.748 1.00 0.00 N ATOM 1583 CA TYR A 100 -2.572 -7.602 -0.109 1.00 0.00 C ATOM 1584 C TYR A 100 -2.425 -7.651 1.409 1.00 0.00 C ATOM 1585 O TYR A 100 -2.239 -6.623 2.059 1.00 0.00 O ATOM 1586 CB TYR A 100 -4.033 -7.836 -0.498 1.00 0.00 C ATOM 1587 CG TYR A 100 -5.021 -7.374 0.550 1.00 0.00 C ATOM 1588 CD1 TYR A 100 -5.346 -6.030 0.682 1.00 0.00 C ATOM 1589 CD2 TYR A 100 -5.629 -8.283 1.407 1.00 0.00 C ATOM 1590 CE1 TYR A 100 -6.247 -5.604 1.638 1.00 0.00 C ATOM 1591 CE2 TYR A 100 -6.532 -7.866 2.366 1.00 0.00 C ATOM 1592 CZ TYR A 100 -6.837 -6.525 2.477 1.00 0.00 C ATOM 1593 OH TYR A 100 -7.737 -6.104 3.430 1.00 0.00 O ATOM 0 H TYR A 100 -2.207 -9.256 -1.343 1.00 0.00 H new ATOM 0 HA TYR A 100 -2.264 -6.615 -0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.239 -7.316 -1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -4.185 -8.899 -0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.886 -5.306 0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -5.392 -9.333 1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.488 -4.555 1.728 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -6.996 -8.585 3.025 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.062 -6.877 3.937 1.00 0.00 H new ATOM 1603 N ALA A 101 -2.508 -8.854 1.966 1.00 0.00 N ATOM 1604 CA ALA A 101 -2.381 -9.040 3.406 1.00 0.00 C ATOM 1605 C ALA A 101 -1.098 -8.403 3.931 1.00 0.00 C ATOM 1606 O ALA A 101 -1.131 -7.585 4.850 1.00 0.00 O ATOM 1607 CB ALA A 101 -2.417 -10.521 3.753 1.00 0.00 C ATOM 0 H ALA A 101 -2.663 -9.715 1.442 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.225 -8.545 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.321 -10.644 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.363 -10.950 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.593 -11.032 3.255 1.00 0.00 H new ATOM 1613 N ARG A 102 0.030 -8.784 3.341 1.00 0.00 N ATOM 1614 CA ARG A 102 1.324 -8.251 3.750 1.00 0.00 C ATOM 1615 C ARG A 102 1.298 -6.725 3.782 1.00 0.00 C ATOM 1616 O ARG A 102 1.447 -6.114 4.840 1.00 0.00 O ATOM 1617 CB ARG A 102 2.422 -8.734 2.801 1.00 0.00 C ATOM 1618 CG ARG A 102 2.810 -10.189 3.008 1.00 0.00 C ATOM 1619 CD ARG A 102 3.546 -10.746 1.801 1.00 0.00 C ATOM 1620 NE ARG A 102 4.204 -12.016 2.099 1.00 0.00 N ATOM 1621 CZ ARG A 102 4.955 -12.677 1.225 1.00 0.00 C ATOM 1622 NH1 ARG A 102 5.143 -12.192 0.006 1.00 0.00 N ATOM 1623 NH2 ARG A 102 5.521 -13.827 1.571 1.00 0.00 N ATOM 0 H ARG A 102 0.074 -9.460 2.578 1.00 0.00 H new ATOM 0 HA ARG A 102 1.537 -8.615 4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.087 -8.599 1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.305 -8.109 2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.441 -10.276 3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.915 -10.782 3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.842 -10.886 0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.289 -10.023 1.464 1.00 0.00 H new ATOM 0 HE ARG A 102 4.080 -12.417 3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.710 -11.308 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 102 5.720 -12.702 -0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.379 -14.203 2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.097 -14.334 0.899 1.00 0.00 H new ATOM 1637 N TRP A 103 1.110 -6.118 2.616 1.00 0.00 N ATOM 1638 CA TRP A 103 1.066 -4.664 2.509 1.00 0.00 C ATOM 1639 C TRP A 103 0.027 -4.080 3.461 1.00 0.00 C ATOM 1640 O TRP A 103 0.365 -3.345 4.387 1.00 0.00 O ATOM 1641 CB TRP A 103 0.751 -4.247 1.072 1.00 0.00 C ATOM 1642 CG TRP A 103 1.966 -4.160 0.199 1.00 0.00 C ATOM 1643 CD1 TRP A 103 2.514 -5.164 -0.546 1.00 0.00 C ATOM 1644 CD2 TRP A 103 2.785 -3.005 -0.017 1.00 0.00 C ATOM 1645 NE1 TRP A 103 3.624 -4.704 -1.213 1.00 0.00 N ATOM 1646 CE2 TRP A 103 3.811 -3.382 -0.906 1.00 0.00 C ATOM 1647 CE3 TRP A 103 2.750 -1.689 0.452 1.00 0.00 C ATOM 1648 CZ2 TRP A 103 4.792 -2.490 -1.332 1.00 0.00 C ATOM 1649 CZ3 TRP A 103 3.724 -0.805 0.028 1.00 0.00 C ATOM 1650 CH2 TRP A 103 4.733 -1.208 -0.857 1.00 0.00 C ATOM 0 H TRP A 103 0.986 -6.610 1.731 1.00 0.00 H new ATOM 0 HA TRP A 103 2.045 -4.274 2.786 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.052 -4.962 0.639 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.251 -3.279 1.084 1.00 0.00 H new ATOM 0 HD1 TRP A 103 2.131 -6.172 -0.603 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.213 -5.257 -1.836 1.00 0.00 H new ATOM 0 HE3 TRP A 103 1.976 -1.369 1.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.571 -2.799 -2.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.707 0.214 0.385 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.479 -0.493 -1.170 1.00 0.00 H new ATOM 1661 N MET A 104 -1.238 -4.413 3.225 1.00 0.00 N ATOM 1662 CA MET A 104 -2.325 -3.922 4.063 1.00 0.00 C ATOM 1663 C MET A 104 -1.892 -3.838 5.523 1.00 0.00 C ATOM 1664 O MET A 104 -1.868 -2.759 6.113 1.00 0.00 O ATOM 1665 CB MET A 104 -3.549 -4.832 3.933 1.00 0.00 C ATOM 1666 CG MET A 104 -4.549 -4.671 5.067 1.00 0.00 C ATOM 1667 SD MET A 104 -5.028 -2.953 5.331 1.00 0.00 S ATOM 1668 CE MET A 104 -6.254 -2.741 4.043 1.00 0.00 C ATOM 0 H MET A 104 -1.535 -5.020 2.461 1.00 0.00 H new ATOM 0 HA MET A 104 -2.588 -2.920 3.723 1.00 0.00 H new ATOM 0 HB2 MET A 104 -4.048 -4.623 2.987 1.00 0.00 H new ATOM 0 HB3 MET A 104 -3.218 -5.870 3.896 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.438 -5.263 4.849 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.118 -5.069 5.986 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.109 -2.194 4.441 1.00 0.00 H new ATOM 0 HE2 MET A 104 -5.819 -2.182 3.215 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.582 -3.718 3.688 1.00 0.00 H new ATOM 1678 N ALA A 105 -1.549 -4.986 6.100 1.00 0.00 N ATOM 1679 CA ALA A 105 -1.115 -5.041 7.491 1.00 0.00 C ATOM 1680 C ALA A 105 -0.132 -3.918 7.804 1.00 0.00 C ATOM 1681 O ALA A 105 -0.183 -3.317 8.876 1.00 0.00 O ATOM 1682 CB ALA A 105 -0.488 -6.394 7.794 1.00 0.00 C ATOM 0 H ALA A 105 -1.563 -5.889 5.626 1.00 0.00 H new ATOM 0 HA ALA A 105 -1.991 -4.908 8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.168 -6.422 8.836 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.220 -7.182 7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.374 -6.549 7.146 1.00 0.00 H new ATOM 1688 N GLY A 106 0.763 -3.641 6.861 1.00 0.00 N ATOM 1689 CA GLY A 106 1.746 -2.591 7.056 1.00 0.00 C ATOM 1690 C GLY A 106 1.108 -1.237 7.295 1.00 0.00 C ATOM 1691 O GLY A 106 1.383 -0.582 8.301 1.00 0.00 O ATOM 0 H GLY A 106 0.825 -4.125 5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.381 -2.845 7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.392 -2.535 6.180 1.00 0.00 H new ATOM 1695 N CYS A 107 0.255 -0.815 6.368 1.00 0.00 N ATOM 1696 CA CYS A 107 -0.422 0.472 6.481 1.00 0.00 C ATOM 1697 C CYS A 107 -1.247 0.542 7.762 1.00 0.00 C ATOM 1698 O CYS A 107 -1.425 1.614 8.339 1.00 0.00 O ATOM 1699 CB CYS A 107 -1.322 0.706 5.267 1.00 0.00 C ATOM 1700 SG CYS A 107 -0.423 0.949 3.717 1.00 0.00 S ATOM 0 H CYS A 107 0.016 -1.345 5.530 1.00 0.00 H new ATOM 0 HA CYS A 107 0.338 1.253 6.517 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.993 -0.146 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -1.946 1.580 5.454 1.00 0.00 H new ATOM 0 HG CYS A 107 -1.270 1.137 2.749 1.00 0.00 H new ATOM 1706 N ARG A 108 -1.748 -0.608 8.200 1.00 0.00 N ATOM 1707 CA ARG A 108 -2.557 -0.677 9.411 1.00 0.00 C ATOM 1708 C ARG A 108 -1.703 -0.425 10.650 1.00 0.00 C ATOM 1709 O ARG A 108 -2.113 0.291 11.565 1.00 0.00 O ATOM 1710 CB ARG A 108 -3.238 -2.043 9.518 1.00 0.00 C ATOM 1711 CG ARG A 108 -4.464 -2.182 8.630 1.00 0.00 C ATOM 1712 CD ARG A 108 -4.823 -3.642 8.402 1.00 0.00 C ATOM 1713 NE ARG A 108 -5.122 -4.335 9.653 1.00 0.00 N ATOM 1714 CZ ARG A 108 -6.315 -4.315 10.237 1.00 0.00 C ATOM 1715 NH1 ARG A 108 -7.315 -3.642 9.686 1.00 0.00 N ATOM 1716 NH2 ARG A 108 -6.509 -4.970 11.374 1.00 0.00 N ATOM 0 H ARG A 108 -1.608 -1.505 7.735 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.320 0.099 9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.520 -2.820 9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.529 -2.215 10.554 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.307 -1.666 9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.277 -1.698 7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.686 -3.704 7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.997 -4.144 7.898 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.374 -4.863 10.102 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.170 -3.138 8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.230 -3.628 10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.742 -5.490 11.801 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.425 -4.954 11.822 1.00 0.00 H new ATOM 1730 N LEU A 109 -0.514 -1.017 10.673 1.00 0.00 N ATOM 1731 CA LEU A 109 0.399 -0.857 11.800 1.00 0.00 C ATOM 1732 C LEU A 109 0.934 0.570 11.869 1.00 0.00 C ATOM 1733 O LEU A 109 0.797 1.246 12.889 1.00 0.00 O ATOM 1734 CB LEU A 109 1.561 -1.844 11.684 1.00 0.00 C ATOM 1735 CG LEU A 109 1.187 -3.327 11.707 1.00 0.00 C ATOM 1736 CD1 LEU A 109 2.230 -4.152 10.969 1.00 0.00 C ATOM 1737 CD2 LEU A 109 1.033 -3.816 13.140 1.00 0.00 C ATOM 0 H LEU A 109 -0.159 -1.612 9.924 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.154 -1.063 12.716 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.095 -1.639 10.756 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.257 -1.653 12.501 1.00 0.00 H new ATOM 0 HG LEU A 109 0.231 -3.449 11.198 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.947 -5.204 10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.291 -3.819 9.933 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.201 -4.025 11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.767 -4.873 13.137 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.974 -3.680 13.674 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.248 -3.246 13.637 1.00 0.00 H new ATOM 1749 N ALA A 110 1.541 1.022 10.777 1.00 0.00 N ATOM 1750 CA ALA A 110 2.092 2.370 10.713 1.00 0.00 C ATOM 1751 C ALA A 110 1.009 3.418 10.945 1.00 0.00 C ATOM 1752 O ALA A 110 1.289 4.520 11.417 1.00 0.00 O ATOM 1753 CB ALA A 110 2.771 2.599 9.370 1.00 0.00 C ATOM 0 H ALA A 110 1.664 0.475 9.925 1.00 0.00 H new ATOM 0 HA ALA A 110 2.834 2.470 11.505 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.178 3.610 9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.579 1.878 9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.043 2.474 8.568 1.00 0.00 H new ATOM 1759 N SER A 111 -0.228 3.067 10.610 1.00 0.00 N ATOM 1760 CA SER A 111 -1.353 3.980 10.778 1.00 0.00 C ATOM 1761 C SER A 111 -1.475 4.431 12.231 1.00 0.00 C ATOM 1762 O SER A 111 -1.866 5.564 12.512 1.00 0.00 O ATOM 1763 CB SER A 111 -2.653 3.309 10.330 1.00 0.00 C ATOM 1764 OG SER A 111 -3.783 3.989 10.848 1.00 0.00 O ATOM 0 H SER A 111 -0.477 2.158 10.221 1.00 0.00 H new ATOM 0 HA SER A 111 -1.172 4.858 10.157 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.701 3.294 9.241 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.664 2.272 10.664 1.00 0.00 H new ATOM 0 HG SER A 111 -4.601 3.542 10.546 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.136 3.535 13.152 1.00 0.00 N ATOM 1771 CA LYS A 112 -1.205 3.838 14.576 1.00 0.00 C ATOM 1772 C LYS A 112 0.190 4.048 15.156 1.00 0.00 C ATOM 1773 O LYS A 112 0.342 4.352 16.338 1.00 0.00 O ATOM 1774 CB LYS A 112 -1.915 2.708 15.325 1.00 0.00 C ATOM 1775 CG LYS A 112 -3.354 2.498 14.887 1.00 0.00 C ATOM 1776 CD LYS A 112 -4.281 3.534 15.501 1.00 0.00 C ATOM 1777 CE LYS A 112 -5.730 3.073 15.470 1.00 0.00 C ATOM 1778 NZ LYS A 112 -6.626 4.013 16.199 1.00 0.00 N ATOM 0 H LYS A 112 -0.811 2.593 12.937 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.773 4.760 14.698 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.360 1.781 15.178 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.897 2.924 16.393 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.416 2.552 13.800 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.681 1.499 15.176 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -3.981 3.727 16.531 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.186 4.475 14.960 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.061 2.984 14.435 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.805 2.081 15.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.605 3.664 16.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.326 4.078 17.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.574 4.954 15.759 1.00 0.00 H new ATOM 1792 N GLY A 113 1.207 3.885 14.315 1.00 0.00 N ATOM 1793 CA GLY A 113 2.576 4.062 14.762 1.00 0.00 C ATOM 1794 C GLY A 113 3.388 2.787 14.661 1.00 0.00 C ATOM 1795 O GLY A 113 4.527 2.803 14.192 1.00 0.00 O ATOM 0 H GLY A 113 1.107 3.633 13.332 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.052 4.840 14.166 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.576 4.408 15.796 1.00 0.00 H new ATOM 1799 N ARG A 114 2.804 1.678 15.104 1.00 0.00 N ATOM 1800 CA ARG A 114 3.483 0.388 15.064 1.00 0.00 C ATOM 1801 C ARG A 114 4.171 0.178 13.718 1.00 0.00 C ATOM 1802 O ARG A 114 3.725 0.693 12.692 1.00 0.00 O ATOM 1803 CB ARG A 114 2.488 -0.744 15.322 1.00 0.00 C ATOM 1804 CG ARG A 114 1.921 -0.747 16.732 1.00 0.00 C ATOM 1805 CD ARG A 114 0.809 -1.773 16.884 1.00 0.00 C ATOM 1806 NE ARG A 114 -0.006 -1.526 18.071 1.00 0.00 N ATOM 1807 CZ ARG A 114 -1.210 -2.054 18.258 1.00 0.00 C ATOM 1808 NH1 ARG A 114 -1.736 -2.855 17.341 1.00 0.00 N ATOM 1809 NH2 ARG A 114 -1.890 -1.783 19.364 1.00 0.00 N ATOM 0 H ARG A 114 1.862 1.647 15.495 1.00 0.00 H new ATOM 0 HA ARG A 114 4.242 0.380 15.846 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.667 -0.664 14.610 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.980 -1.698 15.135 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.717 -0.963 17.445 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.538 0.245 16.973 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.174 -1.753 15.998 1.00 0.00 H new ATOM 0 HD3 ARG A 114 1.243 -2.771 16.943 1.00 0.00 H new ATOM 0 HE ARG A 114 0.370 -0.915 18.796 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -1.215 -3.067 16.490 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -2.661 -3.259 17.487 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.488 -1.168 20.072 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.815 -2.189 19.507 1.00 0.00 H new ATOM 1823 N THR A 115 5.262 -0.583 13.729 1.00 0.00 N ATOM 1824 CA THR A 115 6.013 -0.860 12.511 1.00 0.00 C ATOM 1825 C THR A 115 6.182 -2.360 12.299 1.00 0.00 C ATOM 1826 O THR A 115 6.050 -3.147 13.236 1.00 0.00 O ATOM 1827 CB THR A 115 7.403 -0.198 12.545 1.00 0.00 C ATOM 1828 OG1 THR A 115 8.317 -1.015 13.286 1.00 0.00 O ATOM 1829 CG2 THR A 115 7.328 1.186 13.173 1.00 0.00 C ATOM 0 H THR A 115 5.645 -1.018 14.568 1.00 0.00 H new ATOM 0 HA THR A 115 5.440 -0.441 11.684 1.00 0.00 H new ATOM 0 HB THR A 115 7.758 -0.096 11.519 1.00 0.00 H new ATOM 0 HG1 THR A 115 9.199 -0.588 13.302 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.322 1.634 13.186 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.654 1.814 12.590 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.954 1.103 14.193 1.00 0.00 H new ATOM 1837 N MET A 116 6.475 -2.749 11.063 1.00 0.00 N ATOM 1838 CA MET A 116 6.664 -4.156 10.729 1.00 0.00 C ATOM 1839 C MET A 116 7.486 -4.863 11.802 1.00 0.00 C ATOM 1840 O MET A 116 7.159 -5.975 12.214 1.00 0.00 O ATOM 1841 CB MET A 116 7.353 -4.291 9.370 1.00 0.00 C ATOM 1842 CG MET A 116 7.019 -5.585 8.645 1.00 0.00 C ATOM 1843 SD MET A 116 8.038 -5.844 7.181 1.00 0.00 S ATOM 1844 CE MET A 116 8.196 -4.166 6.576 1.00 0.00 C ATOM 0 H MET A 116 6.587 -2.110 10.276 1.00 0.00 H new ATOM 0 HA MET A 116 5.683 -4.628 10.679 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.067 -3.448 8.741 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.432 -4.231 9.511 1.00 0.00 H new ATOM 0 HG2 MET A 116 7.151 -6.424 9.328 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.969 -5.573 8.354 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.846 -4.154 5.701 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.213 -3.784 6.303 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.626 -3.537 7.356 1.00 0.00 H new ATOM 1854 N ALA A 117 8.554 -4.211 12.248 1.00 0.00 N ATOM 1855 CA ALA A 117 9.422 -4.777 13.274 1.00 0.00 C ATOM 1856 C ALA A 117 8.615 -5.563 14.302 1.00 0.00 C ATOM 1857 O ALA A 117 9.065 -6.595 14.801 1.00 0.00 O ATOM 1858 CB ALA A 117 10.220 -3.677 13.957 1.00 0.00 C ATOM 0 H ALA A 117 8.839 -3.290 11.915 1.00 0.00 H new ATOM 0 HA ALA A 117 10.115 -5.465 12.790 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.863 -4.115 14.720 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.833 -3.160 13.219 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.536 -2.967 14.422 1.00 0.00 H new ATOM 1864 N ASP A 118 7.422 -5.069 14.614 1.00 0.00 N ATOM 1865 CA ASP A 118 6.552 -5.726 15.583 1.00 0.00 C ATOM 1866 C ASP A 118 6.091 -7.085 15.066 1.00 0.00 C ATOM 1867 O ASP A 118 5.727 -7.225 13.898 1.00 0.00 O ATOM 1868 CB ASP A 118 5.340 -4.846 15.891 1.00 0.00 C ATOM 1869 CG ASP A 118 4.723 -5.162 17.239 1.00 0.00 C ATOM 1870 OD1 ASP A 118 4.419 -6.347 17.489 1.00 0.00 O ATOM 1871 OD2 ASP A 118 4.542 -4.225 18.044 1.00 0.00 O ATOM 0 H ASP A 118 7.035 -4.216 14.210 1.00 0.00 H new ATOM 0 HA ASP A 118 7.122 -5.880 16.499 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.640 -3.798 15.869 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.590 -4.979 15.111 1.00 0.00 H new ATOM 1876 N SER A 119 6.111 -8.084 15.943 1.00 0.00 N ATOM 1877 CA SER A 119 5.700 -9.434 15.573 1.00 0.00 C ATOM 1878 C SER A 119 4.264 -9.443 15.059 1.00 0.00 C ATOM 1879 O SER A 119 3.917 -10.216 14.166 1.00 0.00 O ATOM 1880 CB SER A 119 5.831 -10.376 16.772 1.00 0.00 C ATOM 1881 OG SER A 119 5.534 -11.712 16.405 1.00 0.00 O ATOM 0 H SER A 119 6.407 -7.984 16.914 1.00 0.00 H new ATOM 0 HA SER A 119 6.355 -9.781 14.774 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.843 -10.322 17.172 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.157 -10.055 17.566 1.00 0.00 H new ATOM 0 HG SER A 119 5.626 -12.294 17.188 1.00 0.00 H new ATOM 1887 N SER A 120 3.432 -8.577 15.630 1.00 0.00 N ATOM 1888 CA SER A 120 2.032 -8.486 15.234 1.00 0.00 C ATOM 1889 C SER A 120 1.901 -8.410 13.716 1.00 0.00 C ATOM 1890 O SER A 120 0.942 -8.922 13.138 1.00 0.00 O ATOM 1891 CB SER A 120 1.376 -7.262 15.876 1.00 0.00 C ATOM 1892 OG SER A 120 0.941 -7.549 17.194 1.00 0.00 O ATOM 0 H SER A 120 3.704 -7.928 16.369 1.00 0.00 H new ATOM 0 HA SER A 120 1.523 -9.385 15.581 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.085 -6.434 15.896 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.528 -6.941 15.271 1.00 0.00 H new ATOM 0 HG SER A 120 0.527 -6.750 17.583 1.00 0.00 H new ATOM 1898 N TYR A 121 2.872 -7.768 13.076 1.00 0.00 N ATOM 1899 CA TYR A 121 2.865 -7.622 11.626 1.00 0.00 C ATOM 1900 C TYR A 121 2.348 -8.889 10.953 1.00 0.00 C ATOM 1901 O TYR A 121 1.251 -8.907 10.392 1.00 0.00 O ATOM 1902 CB TYR A 121 4.272 -7.299 11.118 1.00 0.00 C ATOM 1903 CG TYR A 121 4.444 -7.517 9.632 1.00 0.00 C ATOM 1904 CD1 TYR A 121 3.745 -6.748 8.711 1.00 0.00 C ATOM 1905 CD2 TYR A 121 5.307 -8.493 9.149 1.00 0.00 C ATOM 1906 CE1 TYR A 121 3.898 -6.944 7.352 1.00 0.00 C ATOM 1907 CE2 TYR A 121 5.469 -8.696 7.792 1.00 0.00 C ATOM 1908 CZ TYR A 121 4.762 -7.919 6.898 1.00 0.00 C ATOM 1909 OH TYR A 121 4.919 -8.117 5.545 1.00 0.00 O ATOM 0 H TYR A 121 3.674 -7.340 13.539 1.00 0.00 H new ATOM 0 HA TYR A 121 2.196 -6.799 11.373 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.505 -6.261 11.354 1.00 0.00 H new ATOM 0 HB3 TYR A 121 4.993 -7.917 11.653 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.069 -5.983 9.063 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.861 -9.104 9.847 1.00 0.00 H new ATOM 0 HE1 TYR A 121 3.345 -6.338 6.650 1.00 0.00 H new ATOM 0 HE2 TYR A 121 6.145 -9.458 7.433 1.00 0.00 H new ATOM 0 HH TYR A 121 5.563 -8.839 5.393 1.00 0.00 H new ATOM 1919 N THR A 122 3.145 -9.952 11.013 1.00 0.00 N ATOM 1920 CA THR A 122 2.770 -11.224 10.410 1.00 0.00 C ATOM 1921 C THR A 122 1.437 -11.721 10.959 1.00 0.00 C ATOM 1922 O THR A 122 0.664 -12.364 10.249 1.00 0.00 O ATOM 1923 CB THR A 122 3.845 -12.300 10.653 1.00 0.00 C ATOM 1924 OG1 THR A 122 3.731 -13.337 9.673 1.00 0.00 O ATOM 1925 CG2 THR A 122 3.711 -12.895 12.047 1.00 0.00 C ATOM 0 H THR A 122 4.055 -9.956 11.474 1.00 0.00 H new ATOM 0 HA THR A 122 2.677 -11.050 9.338 1.00 0.00 H new ATOM 0 HB THR A 122 4.824 -11.828 10.570 1.00 0.00 H new ATOM 0 HG1 THR A 122 4.419 -14.016 9.834 1.00 0.00 H new ATOM 0 HG21 THR A 122 4.481 -13.652 12.195 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.829 -12.108 12.792 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.727 -13.352 12.155 1.00 0.00 H new ATOM 1933 N SER A 123 1.175 -11.419 12.226 1.00 0.00 N ATOM 1934 CA SER A 123 -0.064 -11.838 12.872 1.00 0.00 C ATOM 1935 C SER A 123 -1.277 -11.367 12.075 1.00 0.00 C ATOM 1936 O SER A 123 -2.311 -12.033 12.049 1.00 0.00 O ATOM 1937 CB SER A 123 -0.132 -11.289 14.298 1.00 0.00 C ATOM 1938 OG SER A 123 -1.028 -12.045 15.093 1.00 0.00 O ATOM 0 H SER A 123 1.804 -10.886 12.826 1.00 0.00 H new ATOM 0 HA SER A 123 -0.075 -12.927 12.909 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.861 -11.308 14.746 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.452 -10.247 14.275 1.00 0.00 H new ATOM 0 HG SER A 123 -1.052 -11.675 16.000 1.00 0.00 H new ATOM 1944 N GLU A 124 -1.141 -10.215 11.427 1.00 0.00 N ATOM 1945 CA GLU A 124 -2.226 -9.655 10.630 1.00 0.00 C ATOM 1946 C GLU A 124 -2.327 -10.355 9.278 1.00 0.00 C ATOM 1947 O GLU A 124 -3.418 -10.698 8.823 1.00 0.00 O ATOM 1948 CB GLU A 124 -2.015 -8.153 10.424 1.00 0.00 C ATOM 1949 CG GLU A 124 -2.612 -7.297 11.529 1.00 0.00 C ATOM 1950 CD GLU A 124 -4.128 -7.293 11.509 1.00 0.00 C ATOM 1951 OE1 GLU A 124 -4.707 -7.105 10.418 1.00 0.00 O ATOM 1952 OE2 GLU A 124 -4.736 -7.479 12.584 1.00 0.00 O ATOM 0 H GLU A 124 -0.291 -9.651 11.438 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.158 -9.813 11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.946 -7.951 10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.455 -7.860 9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.266 -7.664 12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -2.248 -6.274 11.428 1.00 0.00 H new ATOM 1959 N VAL A 125 -1.179 -10.565 8.640 1.00 0.00 N ATOM 1960 CA VAL A 125 -1.137 -11.225 7.341 1.00 0.00 C ATOM 1961 C VAL A 125 -1.874 -12.559 7.378 1.00 0.00 C ATOM 1962 O VAL A 125 -2.628 -12.887 6.463 1.00 0.00 O ATOM 1963 CB VAL A 125 0.313 -11.464 6.880 1.00 0.00 C ATOM 1964 CG1 VAL A 125 0.336 -12.166 5.531 1.00 0.00 C ATOM 1965 CG2 VAL A 125 1.077 -10.150 6.820 1.00 0.00 C ATOM 0 H VAL A 125 -0.267 -10.288 9.002 1.00 0.00 H new ATOM 0 HA VAL A 125 -1.631 -10.561 6.632 1.00 0.00 H new ATOM 0 HB VAL A 125 0.805 -12.110 7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.369 -12.326 5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.172 -13.127 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.173 -11.548 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.099 -10.338 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.588 -9.477 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.091 -9.692 7.809 1.00 0.00 H new ATOM 1975 N GLN A 126 -1.649 -13.323 8.441 1.00 0.00 N ATOM 1976 CA GLN A 126 -2.293 -14.623 8.597 1.00 0.00 C ATOM 1977 C GLN A 126 -3.789 -14.463 8.842 1.00 0.00 C ATOM 1978 O GLN A 126 -4.611 -14.998 8.097 1.00 0.00 O ATOM 1979 CB GLN A 126 -1.654 -15.396 9.752 1.00 0.00 C ATOM 1980 CG GLN A 126 -0.134 -15.376 9.731 1.00 0.00 C ATOM 1981 CD GLN A 126 0.454 -16.529 8.943 1.00 0.00 C ATOM 1982 OE1 GLN A 126 0.019 -17.673 9.076 1.00 0.00 O ATOM 1983 NE2 GLN A 126 1.450 -16.234 8.116 1.00 0.00 N ATOM 0 H GLN A 126 -1.026 -13.066 9.207 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.153 -15.184 7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.001 -14.976 10.696 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.996 -16.430 9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 126 0.207 -14.435 9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.240 -15.412 10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.779 -15.272 8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 126 1.886 -16.970 7.560 1.00 0.00 H new ATOM 1992 N ALA A 127 -4.137 -13.725 9.891 1.00 0.00 N ATOM 1993 CA ALA A 127 -5.535 -13.494 10.233 1.00 0.00 C ATOM 1994 C ALA A 127 -6.344 -13.102 9.001 1.00 0.00 C ATOM 1995 O ALA A 127 -7.482 -13.540 8.830 1.00 0.00 O ATOM 1996 CB ALA A 127 -5.646 -12.418 11.303 1.00 0.00 C ATOM 0 H ALA A 127 -3.470 -13.277 10.519 1.00 0.00 H new ATOM 0 HA ALA A 127 -5.946 -14.425 10.625 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.696 -12.256 11.549 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.109 -12.737 12.197 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.213 -11.489 10.931 1.00 0.00 H new ATOM 2002 N ILE A 128 -5.750 -12.276 8.147 1.00 0.00 N ATOM 2003 CA ILE A 128 -6.417 -11.827 6.931 1.00 0.00 C ATOM 2004 C ILE A 128 -6.660 -12.990 5.975 1.00 0.00 C ATOM 2005 O ILE A 128 -7.794 -13.248 5.570 1.00 0.00 O ATOM 2006 CB ILE A 128 -5.595 -10.745 6.205 1.00 0.00 C ATOM 2007 CG1 ILE A 128 -5.477 -9.493 7.077 1.00 0.00 C ATOM 2008 CG2 ILE A 128 -6.231 -10.406 4.866 1.00 0.00 C ATOM 2009 CD1 ILE A 128 -4.341 -8.580 6.672 1.00 0.00 C ATOM 0 H ILE A 128 -4.809 -11.904 8.274 1.00 0.00 H new ATOM 0 HA ILE A 128 -7.374 -11.403 7.235 1.00 0.00 H new ATOM 0 HB ILE A 128 -4.593 -11.133 6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.414 -8.937 7.030 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.338 -9.795 8.115 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -5.639 -9.640 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -6.268 -11.300 4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.243 -10.034 5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.317 -7.714 7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.397 -9.119 6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.489 -8.248 5.644 1.00 0.00 H new ATOM 2021 N LEU A 129 -5.589 -13.691 5.620 1.00 0.00 N ATOM 2022 CA LEU A 129 -5.686 -14.830 4.713 1.00 0.00 C ATOM 2023 C LEU A 129 -6.772 -15.798 5.169 1.00 0.00 C ATOM 2024 O LEU A 129 -7.476 -16.387 4.350 1.00 0.00 O ATOM 2025 CB LEU A 129 -4.342 -15.555 4.630 1.00 0.00 C ATOM 2026 CG LEU A 129 -3.383 -15.069 3.542 1.00 0.00 C ATOM 2027 CD1 LEU A 129 -3.507 -13.565 3.355 1.00 0.00 C ATOM 2028 CD2 LEU A 129 -1.950 -15.449 3.886 1.00 0.00 C ATOM 0 H LEU A 129 -4.643 -13.491 5.946 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.952 -14.455 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -3.842 -15.463 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -4.534 -16.616 4.470 1.00 0.00 H new ATOM 0 HG LEU A 129 -3.651 -15.555 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -2.817 -13.237 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.528 -13.318 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.265 -13.061 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.281 -15.095 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.670 -14.991 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.871 -16.533 3.969 1.00 0.00 H new ATOM 2040 N ALA A 130 -6.904 -15.956 6.482 1.00 0.00 N ATOM 2041 CA ALA A 130 -7.907 -16.849 7.047 1.00 0.00 C ATOM 2042 C ALA A 130 -9.308 -16.265 6.899 1.00 0.00 C ATOM 2043 O ALA A 130 -10.154 -16.825 6.202 1.00 0.00 O ATOM 2044 CB ALA A 130 -7.602 -17.128 8.512 1.00 0.00 C ATOM 0 H ALA A 130 -6.328 -15.477 7.174 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.872 -17.788 6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -8.360 -17.797 8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.621 -17.596 8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -7.606 -16.191 9.069 1.00 0.00 H new ATOM 2050 N PHE A 131 -9.547 -15.138 7.560 1.00 0.00 N ATOM 2051 CA PHE A 131 -10.847 -14.478 7.503 1.00 0.00 C ATOM 2052 C PHE A 131 -11.397 -14.484 6.080 1.00 0.00 C ATOM 2053 O PHE A 131 -12.578 -14.757 5.860 1.00 0.00 O ATOM 2054 CB PHE A 131 -10.735 -13.040 8.014 1.00 0.00 C ATOM 2055 CG PHE A 131 -11.972 -12.222 7.776 1.00 0.00 C ATOM 2056 CD1 PHE A 131 -13.147 -12.504 8.455 1.00 0.00 C ATOM 2057 CD2 PHE A 131 -11.961 -11.172 6.872 1.00 0.00 C ATOM 2058 CE1 PHE A 131 -14.287 -11.753 8.238 1.00 0.00 C ATOM 2059 CE2 PHE A 131 -13.097 -10.418 6.651 1.00 0.00 C ATOM 2060 CZ PHE A 131 -14.262 -10.709 7.334 1.00 0.00 C ATOM 0 H PHE A 131 -8.858 -14.662 8.142 1.00 0.00 H new ATOM 0 HA PHE A 131 -11.536 -15.030 8.142 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -10.521 -13.058 9.083 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -9.889 -12.555 7.528 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -13.172 -13.320 9.162 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -11.054 -10.940 6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -15.196 -11.982 8.774 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -13.074 -9.601 5.945 1.00 0.00 H new ATOM 0 HZ PHE A 131 -15.152 -10.121 7.161 1.00 0.00 H new ATOM 2070 N LEU A 132 -10.534 -14.179 5.118 1.00 0.00 N ATOM 2071 CA LEU A 132 -10.932 -14.148 3.715 1.00 0.00 C ATOM 2072 C LEU A 132 -11.538 -15.482 3.291 1.00 0.00 C ATOM 2073 O LEU A 132 -12.607 -15.524 2.682 1.00 0.00 O ATOM 2074 CB LEU A 132 -9.729 -13.817 2.830 1.00 0.00 C ATOM 2075 CG LEU A 132 -9.179 -12.396 2.949 1.00 0.00 C ATOM 2076 CD1 LEU A 132 -7.808 -12.297 2.299 1.00 0.00 C ATOM 2077 CD2 LEU A 132 -10.141 -11.397 2.323 1.00 0.00 C ATOM 0 H LEU A 132 -9.554 -13.950 5.283 1.00 0.00 H new ATOM 0 HA LEU A 132 -11.688 -13.372 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -8.927 -14.516 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -10.009 -13.991 1.791 1.00 0.00 H new ATOM 0 HG LEU A 132 -9.075 -12.156 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.433 -11.278 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -7.121 -12.984 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -7.886 -12.558 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -9.733 -10.391 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -10.278 -11.636 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -11.102 -11.448 2.834 1.00 0.00 H new ATOM 2089 N SER A 133 -10.849 -16.570 3.619 1.00 0.00 N ATOM 2090 CA SER A 133 -11.318 -17.906 3.271 1.00 0.00 C ATOM 2091 C SER A 133 -12.666 -18.196 3.923 1.00 0.00 C ATOM 2092 O SER A 133 -13.519 -18.868 3.341 1.00 0.00 O ATOM 2093 CB SER A 133 -10.294 -18.958 3.702 1.00 0.00 C ATOM 2094 OG SER A 133 -10.427 -20.143 2.937 1.00 0.00 O ATOM 0 H SER A 133 -9.964 -16.553 4.125 1.00 0.00 H new ATOM 0 HA SER A 133 -11.440 -17.950 2.189 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.287 -18.558 3.586 1.00 0.00 H new ATOM 0 HB3 SER A 133 -10.427 -19.187 4.759 1.00 0.00 H new ATOM 0 HG SER A 133 -9.760 -20.799 3.231 1.00 0.00 H new ATOM 2100 N LEU A 134 -12.853 -17.683 5.134 1.00 0.00 N ATOM 2101 CA LEU A 134 -14.098 -17.885 5.867 1.00 0.00 C ATOM 2102 C LEU A 134 -15.285 -17.326 5.089 1.00 0.00 C ATOM 2103 O LEU A 134 -16.414 -17.787 5.247 1.00 0.00 O ATOM 2104 CB LEU A 134 -14.016 -17.220 7.242 1.00 0.00 C ATOM 2105 CG LEU A 134 -12.792 -17.576 8.088 1.00 0.00 C ATOM 2106 CD1 LEU A 134 -12.869 -16.900 9.448 1.00 0.00 C ATOM 2107 CD2 LEU A 134 -12.673 -19.085 8.246 1.00 0.00 C ATOM 0 H LEU A 134 -12.158 -17.124 5.629 1.00 0.00 H new ATOM 0 HA LEU A 134 -14.245 -18.957 5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -14.034 -16.139 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -14.911 -17.484 7.805 1.00 0.00 H new ATOM 0 HG LEU A 134 -11.901 -17.214 7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -11.990 -17.165 10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -12.905 -15.819 9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -13.767 -17.232 9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -11.797 -19.320 8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -13.566 -19.471 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -12.570 -19.547 7.264 1.00 0.00 H new