USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1009 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 144 HIS : no HE2:sc= -0.277 K(o=0.14,f=-0.71) USER MOD Set 1.2: A 148 CYS SG : rot 87:sc= 0.414 USER MOD Set 2.1: A 128 CYS SG : rot 180:sc= -2.55! USER MOD Set 2.2: A 137 LYS NZ :NH3+ 171:sc= -4.68! (180deg=-5.01!) USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.23 K(o=-0.23,f=-0.98) USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 29:sc= -0.974 USER MOD Single : A 35 GLN : amide:sc= -0.28 K(o=-0.28,f=-3.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 59 THR OG1 : rot 81:sc= -2.63! USER MOD Single : A 64 THR OG1 : rot 77:sc= -5.53! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -5.49! K(o=-5.5!,f=-0.94) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0959 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -10.2! K(o=-10!,f=-2) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -138:sc= -4.32! (180deg=-5.39!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.555 USER MOD Single : A 104 LYS NZ :NH3+ 144:sc= -0.21 (180deg=-1.26!) USER MOD Single : A 106 TYR OH : rot -31:sc= 1.06 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0574 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 116 HIS : no HD1:sc= -3.98 K(o=-4,f=-2.6) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -14.6! C(o=-15!,f=-12!) USER MOD Single : A 132 GLN : amide:sc= -7.54! C(o=-7.5!,f=-5.3!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -150:sc= -0.771 (180deg=-3.77!) USER MOD Single : A 141 GLN : amide:sc= -3.54! K(o=-3.5!,f=-0.34) USER MOD Single : A 145 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.16) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.735 -7.935 5.111 1.00 0.00 N ATOM 87 CA LEU A 8 6.509 -8.358 4.391 1.00 0.00 C ATOM 88 C LEU A 8 5.831 -7.138 3.763 1.00 0.00 C ATOM 89 O LEU A 8 5.782 -6.079 4.354 1.00 0.00 O ATOM 90 CB LEU A 8 5.540 -8.997 5.382 1.00 0.00 C ATOM 91 CG LEU A 8 6.306 -9.659 6.533 1.00 0.00 C ATOM 92 CD1 LEU A 8 6.902 -8.593 7.447 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.339 -10.515 7.341 1.00 0.00 C ATOM 0 HA LEU A 8 6.779 -9.071 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.863 -8.240 5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.926 -9.739 4.872 1.00 0.00 H new ATOM 0 HG LEU A 8 7.109 -10.273 6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.444 -9.074 8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.586 -7.966 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.102 -7.977 7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.874 -10.991 8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.544 -9.886 7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.907 -11.281 6.698 1.00 0.00 H new ATOM 105 N ARG A 9 5.289 -7.284 2.587 1.00 0.00 N ATOM 106 CA ARG A 9 4.592 -6.137 1.946 1.00 0.00 C ATOM 107 C ARG A 9 3.152 -6.102 2.464 1.00 0.00 C ATOM 108 O ARG A 9 2.505 -7.124 2.593 1.00 0.00 O ATOM 109 CB ARG A 9 4.583 -6.314 0.426 1.00 0.00 C ATOM 110 CG ARG A 9 4.186 -4.993 -0.235 1.00 0.00 C ATOM 111 CD ARG A 9 4.000 -5.208 -1.740 1.00 0.00 C ATOM 112 NE ARG A 9 5.274 -5.698 -2.336 1.00 0.00 N ATOM 113 CZ ARG A 9 6.288 -4.887 -2.458 1.00 0.00 C ATOM 114 NH1 ARG A 9 6.184 -3.648 -2.062 1.00 0.00 N ATOM 115 NH2 ARG A 9 7.407 -5.315 -2.977 1.00 0.00 N ATOM 0 H ARG A 9 5.299 -8.147 2.043 1.00 0.00 H new ATOM 0 HA ARG A 9 5.107 -5.207 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.568 -6.626 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.882 -7.100 0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.263 -4.617 0.206 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.954 -4.240 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.202 -5.929 -1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.699 -4.275 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 9 5.353 -6.666 -2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.310 -3.314 -1.657 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.977 -3.014 -2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.488 -6.283 -3.287 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.200 -4.681 -3.073 1.00 0.00 H new ATOM 129 N ALA A 10 2.644 -4.943 2.774 1.00 0.00 N ATOM 130 CA ALA A 10 1.249 -4.863 3.292 1.00 0.00 C ATOM 131 C ALA A 10 0.599 -3.564 2.837 1.00 0.00 C ATOM 132 O ALA A 10 1.266 -2.604 2.503 1.00 0.00 O ATOM 133 CB ALA A 10 1.269 -4.893 4.822 1.00 0.00 C ATOM 0 H ALA A 10 3.131 -4.051 2.692 1.00 0.00 H new ATOM 0 HA ALA A 10 0.682 -5.711 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.248 -4.834 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.729 -5.821 5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.843 -4.045 5.195 1.00 0.00 H new ATOM 139 N CYS A 11 -0.701 -3.519 2.836 1.00 0.00 N ATOM 140 CA CYS A 11 -1.391 -2.275 2.422 1.00 0.00 C ATOM 141 C CYS A 11 -2.735 -2.180 3.149 1.00 0.00 C ATOM 142 O CYS A 11 -3.569 -3.055 3.054 1.00 0.00 O ATOM 143 CB CYS A 11 -1.616 -2.300 0.910 1.00 0.00 C ATOM 144 SG CYS A 11 -0.232 -1.477 0.088 1.00 0.00 S ATOM 0 H CYS A 11 -1.313 -4.290 3.104 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.781 -1.409 2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.702 -3.329 0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.552 -1.799 0.661 1.00 0.00 H new ATOM 0 HG CYS A 11 0.843 -1.613 0.807 1.00 0.00 H new ATOM 150 N GLY A 12 -2.943 -1.115 3.872 1.00 0.00 N ATOM 151 CA GLY A 12 -4.228 -0.942 4.607 1.00 0.00 C ATOM 152 C GLY A 12 -4.923 0.315 4.086 1.00 0.00 C ATOM 153 O GLY A 12 -4.393 1.010 3.242 1.00 0.00 O ATOM 0 H GLY A 12 -2.275 -0.353 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.866 -1.814 4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.043 -0.855 5.678 1.00 0.00 H new ATOM 157 N LEU A 13 -6.099 0.623 4.567 1.00 0.00 N ATOM 158 CA LEU A 13 -6.787 1.848 4.063 1.00 0.00 C ATOM 159 C LEU A 13 -7.139 2.786 5.210 1.00 0.00 C ATOM 160 O LEU A 13 -7.944 2.462 6.062 1.00 0.00 O ATOM 161 CB LEU A 13 -8.095 1.469 3.352 1.00 0.00 C ATOM 162 CG LEU A 13 -8.050 1.907 1.879 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.438 1.772 1.243 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.609 3.367 1.787 1.00 0.00 C ATOM 0 H LEU A 13 -6.605 0.090 5.274 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.104 2.344 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.251 0.392 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.939 1.942 3.853 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.342 1.269 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.392 2.085 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.763 0.733 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.147 2.402 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.579 3.673 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.316 3.995 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.617 3.476 2.226 1.00 0.00 H new ATOM 176 N ILE A 14 -6.607 3.977 5.206 1.00 0.00 N ATOM 177 CA ILE A 14 -7.001 4.938 6.261 1.00 0.00 C ATOM 178 C ILE A 14 -8.254 5.626 5.747 1.00 0.00 C ATOM 179 O ILE A 14 -8.221 6.398 4.811 1.00 0.00 O ATOM 180 CB ILE A 14 -5.886 5.949 6.533 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.724 5.224 7.218 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.411 7.053 7.455 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.525 6.165 7.356 1.00 0.00 C ATOM 0 H ILE A 14 -5.927 4.318 4.527 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.186 4.433 7.209 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.550 6.393 5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.034 4.871 8.202 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.441 4.345 6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.616 7.774 7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.250 7.558 6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.741 6.614 8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.704 5.639 7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.207 6.496 6.367 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.809 7.031 7.955 1.00 0.00 H new ATOM 195 N ILE A 15 -9.366 5.292 6.312 1.00 0.00 N ATOM 196 CA ILE A 15 -10.653 5.850 5.834 1.00 0.00 C ATOM 197 C ILE A 15 -11.063 7.053 6.669 1.00 0.00 C ATOM 198 O ILE A 15 -10.911 7.066 7.872 1.00 0.00 O ATOM 199 CB ILE A 15 -11.684 4.735 5.958 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.326 3.623 4.973 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.095 5.249 5.666 1.00 0.00 C ATOM 202 CD1 ILE A 15 -12.004 2.321 5.396 1.00 0.00 C ATOM 0 H ILE A 15 -9.443 4.646 7.098 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.569 6.193 4.803 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.671 4.356 6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.643 3.899 3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.245 3.487 4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.808 4.430 5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.349 6.037 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.135 5.647 4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.746 1.531 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.665 2.042 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.085 2.460 5.406 1.00 0.00 H new ATOM 214 N PHE A 16 -11.586 8.063 6.033 1.00 0.00 N ATOM 215 CA PHE A 16 -12.012 9.266 6.786 1.00 0.00 C ATOM 216 C PHE A 16 -13.357 9.753 6.252 1.00 0.00 C ATOM 217 O PHE A 16 -13.486 10.095 5.095 1.00 0.00 O ATOM 218 CB PHE A 16 -10.964 10.366 6.609 1.00 0.00 C ATOM 219 CG PHE A 16 -10.961 10.843 5.176 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.193 10.172 4.216 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.723 11.959 4.807 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.189 10.614 2.886 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.718 12.402 3.479 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.952 11.731 2.518 1.00 0.00 C ATOM 0 H PHE A 16 -11.735 8.104 5.025 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.112 9.020 7.843 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.180 11.198 7.279 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.978 9.988 6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.603 9.313 4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.314 12.478 5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.599 10.095 2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.306 13.262 3.195 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.949 12.074 1.494 1.00 0.00 H new ATOM 234 N ARG A 17 -14.354 9.809 7.093 1.00 0.00 N ATOM 235 CA ARG A 17 -15.685 10.296 6.635 1.00 0.00 C ATOM 236 C ARG A 17 -15.678 11.822 6.688 1.00 0.00 C ATOM 237 O ARG A 17 -15.564 12.411 7.744 1.00 0.00 O ATOM 238 CB ARG A 17 -16.774 9.753 7.565 1.00 0.00 C ATOM 239 CG ARG A 17 -18.078 9.570 6.787 1.00 0.00 C ATOM 240 CD ARG A 17 -18.617 10.928 6.342 1.00 0.00 C ATOM 241 NE ARG A 17 -19.964 10.743 5.719 1.00 0.00 N ATOM 242 CZ ARG A 17 -20.182 11.102 4.477 1.00 0.00 C ATOM 243 NH1 ARG A 17 -19.227 11.628 3.762 1.00 0.00 N ATOM 244 NH2 ARG A 17 -21.366 10.933 3.955 1.00 0.00 N ATOM 0 H ARG A 17 -14.304 9.539 8.075 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.885 9.956 5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.458 8.801 7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.930 10.440 8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.906 8.935 5.918 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.815 9.064 7.411 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.688 11.602 7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.933 11.388 5.628 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.721 10.333 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.301 11.763 4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.406 11.904 2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.116 10.524 4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.542 11.210 2.989 1.00 0.00 H new ATOM 258 N ARG A 18 -15.782 12.471 5.561 1.00 0.00 N ATOM 259 CA ARG A 18 -15.765 13.959 5.558 1.00 0.00 C ATOM 260 C ARG A 18 -17.192 14.492 5.706 1.00 0.00 C ATOM 261 O ARG A 18 -18.115 14.010 5.079 1.00 0.00 O ATOM 262 CB ARG A 18 -15.172 14.453 4.238 1.00 0.00 C ATOM 263 CG ARG A 18 -14.897 15.953 4.321 1.00 0.00 C ATOM 264 CD ARG A 18 -14.213 16.410 3.032 1.00 0.00 C ATOM 265 NE ARG A 18 -15.140 16.198 1.881 1.00 0.00 N ATOM 266 CZ ARG A 18 -15.318 17.136 0.992 1.00 0.00 C ATOM 267 NH1 ARG A 18 -14.660 18.261 1.081 1.00 0.00 N ATOM 268 NH2 ARG A 18 -16.151 16.948 0.006 1.00 0.00 N ATOM 0 H ARG A 18 -15.878 12.035 4.644 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.159 14.317 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.248 13.917 4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.861 14.245 3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.830 16.499 4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.263 16.172 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.940 17.463 3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.290 15.851 2.878 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.638 15.313 1.789 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.004 18.409 1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.802 18.992 0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.662 16.069 -0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.291 17.680 -0.690 1.00 0.00 H new ATOM 434 N ILE A 29 -13.750 15.737 10.781 1.00 0.00 N ATOM 435 CA ILE A 29 -13.476 14.478 10.046 1.00 0.00 C ATOM 436 C ILE A 29 -13.312 13.308 11.013 1.00 0.00 C ATOM 437 O ILE A 29 -12.696 13.423 12.055 1.00 0.00 O ATOM 438 CB ILE A 29 -12.193 14.659 9.240 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.491 15.534 8.025 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.671 13.297 8.788 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.204 16.212 7.555 1.00 0.00 C ATOM 0 HA ILE A 29 -14.315 14.257 9.386 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.433 15.138 9.857 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.909 14.928 7.221 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.238 16.286 8.280 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.755 13.431 8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.464 12.679 9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.421 12.808 8.167 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.418 16.836 6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.805 16.831 8.358 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.471 15.452 7.284 1.00 0.00 H new ATOM 453 N GLU A 30 -13.851 12.177 10.656 1.00 0.00 N ATOM 454 CA GLU A 30 -13.730 10.976 11.526 1.00 0.00 C ATOM 455 C GLU A 30 -13.082 9.854 10.714 1.00 0.00 C ATOM 456 O GLU A 30 -13.142 9.853 9.503 1.00 0.00 O ATOM 457 CB GLU A 30 -15.120 10.533 11.980 1.00 0.00 C ATOM 458 CG GLU A 30 -15.829 11.695 12.673 1.00 0.00 C ATOM 459 CD GLU A 30 -17.179 11.215 13.205 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.584 10.123 12.847 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.788 11.952 13.966 1.00 0.00 O ATOM 0 H GLU A 30 -14.374 12.032 9.792 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.123 11.208 12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.704 10.197 11.123 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.038 9.686 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.217 12.075 13.491 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.972 12.518 11.973 1.00 0.00 H new ATOM 469 N PHE A 31 -12.458 8.904 11.360 1.00 0.00 N ATOM 470 CA PHE A 31 -11.804 7.798 10.599 1.00 0.00 C ATOM 471 C PHE A 31 -12.431 6.448 10.966 1.00 0.00 C ATOM 472 O PHE A 31 -12.939 6.265 12.055 1.00 0.00 O ATOM 473 CB PHE A 31 -10.311 7.757 10.941 1.00 0.00 C ATOM 474 CG PHE A 31 -9.647 9.066 10.567 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.198 9.281 9.254 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.468 10.063 11.536 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.574 10.487 8.917 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.844 11.270 11.194 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.400 11.480 9.886 1.00 0.00 C ATOM 0 H PHE A 31 -12.373 8.846 12.375 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.944 7.981 9.534 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.181 7.567 12.006 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.832 6.934 10.410 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.334 8.516 8.504 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.811 9.901 12.547 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.226 10.651 7.908 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.706 12.038 11.941 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.921 12.412 9.623 1.00 0.00 H new ATOM 489 N LEU A 32 -12.376 5.488 10.070 1.00 0.00 N ATOM 490 CA LEU A 32 -12.942 4.143 10.390 1.00 0.00 C ATOM 491 C LEU A 32 -11.898 3.369 11.186 1.00 0.00 C ATOM 492 O LEU A 32 -10.756 3.261 10.786 1.00 0.00 O ATOM 493 CB LEU A 32 -13.267 3.371 9.102 1.00 0.00 C ATOM 494 CG LEU A 32 -13.689 1.934 9.455 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.872 1.965 10.422 1.00 0.00 C ATOM 496 CD2 LEU A 32 -14.105 1.188 8.182 1.00 0.00 C ATOM 0 H LEU A 32 -11.967 5.579 9.140 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.862 4.262 10.962 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.067 3.872 8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.397 3.355 8.446 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.847 1.423 9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.167 0.945 10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.584 2.490 11.333 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.710 2.482 9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.403 0.171 8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.943 1.705 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.265 1.157 7.488 1.00 0.00 H new ATOM 508 N LEU A 33 -12.274 2.834 12.311 1.00 0.00 N ATOM 509 CA LEU A 33 -11.294 2.073 13.129 1.00 0.00 C ATOM 510 C LEU A 33 -11.872 0.710 13.481 1.00 0.00 C ATOM 511 O LEU A 33 -12.985 0.595 13.950 1.00 0.00 O ATOM 512 CB LEU A 33 -10.987 2.842 14.413 1.00 0.00 C ATOM 513 CG LEU A 33 -9.798 3.776 14.178 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.757 4.836 15.279 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.499 2.969 14.214 1.00 0.00 C ATOM 0 H LEU A 33 -13.216 2.891 12.699 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.375 1.942 12.558 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.860 3.418 14.722 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.762 2.146 15.221 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.905 4.258 13.206 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.910 5.502 15.112 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.681 5.414 15.263 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.650 4.350 16.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.652 3.635 14.047 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.396 2.489 15.187 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.522 2.208 13.434 1.00 0.00 H new ATOM 527 N LEU A 34 -11.117 -0.323 13.259 1.00 0.00 N ATOM 528 CA LEU A 34 -11.606 -1.689 13.579 1.00 0.00 C ATOM 529 C LEU A 34 -10.930 -2.179 14.857 1.00 0.00 C ATOM 530 O LEU A 34 -9.759 -1.947 15.079 1.00 0.00 O ATOM 531 CB LEU A 34 -11.268 -2.619 12.416 1.00 0.00 C ATOM 532 CG LEU A 34 -11.805 -2.012 11.117 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.595 -2.992 9.963 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.298 -1.726 11.271 1.00 0.00 C ATOM 0 H LEU A 34 -10.176 -0.281 12.867 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.685 -1.677 13.731 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.189 -2.759 12.348 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.707 -3.603 12.581 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.272 -1.085 10.905 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.979 -2.556 9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.531 -3.200 9.851 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.126 -3.921 10.173 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.683 -1.294 10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.826 -2.655 11.484 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.451 -1.025 12.091 1.00 0.00 H new ATOM 546 N GLN A 35 -11.659 -2.851 15.703 1.00 0.00 N ATOM 547 CA GLN A 35 -11.059 -3.347 16.967 1.00 0.00 C ATOM 548 C GLN A 35 -10.611 -4.795 16.779 1.00 0.00 C ATOM 549 O GLN A 35 -11.405 -5.665 16.487 1.00 0.00 O ATOM 550 CB GLN A 35 -12.106 -3.274 18.077 1.00 0.00 C ATOM 551 CG GLN A 35 -11.455 -3.573 19.427 1.00 0.00 C ATOM 552 CD GLN A 35 -12.498 -3.412 20.537 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.594 -2.950 20.290 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.202 -3.781 21.752 1.00 0.00 N ATOM 0 H GLN A 35 -12.645 -3.077 15.572 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.198 -2.735 17.235 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.562 -2.284 18.095 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.905 -3.989 17.883 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.053 -4.586 19.434 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.617 -2.897 19.598 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.281 -4.169 21.957 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.891 -3.682 22.497 1.00 0.00 H new ATOM 641 N HIS A 42 -6.194 -3.483 20.164 1.00 0.00 N ATOM 642 CA HIS A 42 -5.795 -2.140 19.667 1.00 0.00 C ATOM 643 C HIS A 42 -6.660 -1.758 18.465 1.00 0.00 C ATOM 644 O HIS A 42 -7.208 -2.607 17.789 1.00 0.00 O ATOM 645 CB HIS A 42 -4.330 -2.184 19.243 1.00 0.00 C ATOM 646 CG HIS A 42 -4.110 -3.382 18.360 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.891 -4.653 18.875 1.00 0.00 N ATOM 648 CD2 HIS A 42 -4.078 -3.520 16.993 1.00 0.00 C ATOM 649 CE1 HIS A 42 -3.733 -5.491 17.833 1.00 0.00 C ATOM 650 NE2 HIS A 42 -3.840 -4.849 16.667 1.00 0.00 N ATOM 0 HA HIS A 42 -5.932 -1.401 20.457 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.065 -1.271 18.711 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.686 -2.240 20.121 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.217 -2.719 16.282 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.543 -6.550 17.928 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.763 -5.251 15.733 1.00 0.00 H new ATOM 659 N TRP A 43 -6.790 -0.488 18.190 1.00 0.00 N ATOM 660 CA TRP A 43 -7.622 -0.064 17.027 1.00 0.00 C ATOM 661 C TRP A 43 -6.713 0.247 15.838 1.00 0.00 C ATOM 662 O TRP A 43 -5.711 0.922 15.971 1.00 0.00 O ATOM 663 CB TRP A 43 -8.404 1.200 17.389 1.00 0.00 C ATOM 664 CG TRP A 43 -9.231 0.959 18.609 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.774 1.008 19.880 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.648 0.647 18.695 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.822 0.749 20.741 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.000 0.523 20.059 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.655 0.474 17.733 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.303 0.220 20.454 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.966 0.170 18.123 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.291 0.050 19.482 1.00 0.00 C ATOM 0 H TRP A 43 -6.358 0.271 18.717 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.313 -0.867 16.770 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.715 2.026 17.565 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.045 1.491 16.557 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.756 1.216 20.174 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.736 0.727 21.757 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.418 0.576 16.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.545 0.118 21.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.730 0.027 17.373 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.306 -0.174 19.777 1.00 0.00 H new ATOM 683 N THR A 44 -7.055 -0.231 14.673 1.00 0.00 N ATOM 684 CA THR A 44 -6.209 0.050 13.480 1.00 0.00 C ATOM 685 C THR A 44 -7.054 -0.106 12.211 1.00 0.00 C ATOM 686 O THR A 44 -7.885 -0.989 12.126 1.00 0.00 O ATOM 687 CB THR A 44 -5.042 -0.942 13.437 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.485 -2.208 13.900 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.904 -0.445 14.329 1.00 0.00 C ATOM 0 H THR A 44 -7.881 -0.802 14.496 1.00 0.00 H new ATOM 0 HA THR A 44 -5.821 1.067 13.540 1.00 0.00 H new ATOM 0 HB THR A 44 -4.682 -1.030 12.412 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.741 -2.845 13.872 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.078 -1.155 14.294 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.562 0.528 13.975 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.260 -0.353 15.355 1.00 0.00 H new ATOM 697 N PRO A 45 -6.844 0.733 11.225 1.00 0.00 N ATOM 698 CA PRO A 45 -7.605 0.658 9.945 1.00 0.00 C ATOM 699 C PRO A 45 -7.482 -0.726 9.300 1.00 0.00 C ATOM 700 O PRO A 45 -6.581 -1.476 9.609 1.00 0.00 O ATOM 701 CB PRO A 45 -6.954 1.719 9.053 1.00 0.00 C ATOM 702 CG PRO A 45 -6.222 2.641 9.973 1.00 0.00 C ATOM 703 CD PRO A 45 -5.869 1.836 11.220 1.00 0.00 C ATOM 0 HA PRO A 45 -8.671 0.826 10.097 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.272 1.261 8.337 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.706 2.259 8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.322 3.028 9.496 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.841 3.501 10.231 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.846 1.463 11.177 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.949 2.443 12.122 1.00 0.00 H new ATOM 711 N PRO A 46 -8.374 -1.062 8.412 1.00 0.00 N ATOM 712 CA PRO A 46 -8.348 -2.382 7.722 1.00 0.00 C ATOM 713 C PRO A 46 -6.949 -2.735 7.209 1.00 0.00 C ATOM 714 O PRO A 46 -6.476 -2.181 6.238 1.00 0.00 O ATOM 715 CB PRO A 46 -9.314 -2.195 6.554 1.00 0.00 C ATOM 716 CG PRO A 46 -10.263 -1.130 6.993 1.00 0.00 C ATOM 717 CD PRO A 46 -9.503 -0.230 7.967 1.00 0.00 C ATOM 0 HA PRO A 46 -8.624 -3.198 8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.784 -1.900 5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.841 -3.122 6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.622 -0.557 6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.138 -1.567 7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.159 0.683 7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.131 0.072 8.805 1.00 0.00 H new ATOM 725 N LYS A 47 -6.288 -3.658 7.853 1.00 0.00 N ATOM 726 CA LYS A 47 -4.924 -4.049 7.398 1.00 0.00 C ATOM 727 C LYS A 47 -5.001 -5.383 6.657 1.00 0.00 C ATOM 728 O LYS A 47 -5.704 -6.289 7.059 1.00 0.00 O ATOM 729 CB LYS A 47 -3.992 -4.193 8.605 1.00 0.00 C ATOM 730 CG LYS A 47 -3.855 -2.844 9.318 1.00 0.00 C ATOM 731 CD LYS A 47 -2.699 -2.905 10.319 1.00 0.00 C ATOM 732 CE LYS A 47 -3.029 -3.903 11.432 1.00 0.00 C ATOM 733 NZ LYS A 47 -2.100 -3.690 12.580 1.00 0.00 N ATOM 0 H LYS A 47 -6.633 -4.157 8.673 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.533 -3.279 6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.386 -4.940 9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.013 -4.544 8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.677 -2.053 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.783 -2.599 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.782 -3.203 9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.522 -1.917 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.062 -3.774 11.757 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.937 -4.923 11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.323 -4.367 13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.120 -3.834 12.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.209 -2.720 12.940 1.00 0.00 H new ATOM 747 N GLY A 48 -4.277 -5.518 5.579 1.00 0.00 N ATOM 748 CA GLY A 48 -4.302 -6.797 4.816 1.00 0.00 C ATOM 749 C GLY A 48 -2.939 -7.016 4.162 1.00 0.00 C ATOM 750 O GLY A 48 -2.061 -6.181 4.248 1.00 0.00 O ATOM 0 H GLY A 48 -3.668 -4.796 5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.537 -7.627 5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.083 -6.766 4.056 1.00 0.00 H new ATOM 754 N HIS A 49 -2.752 -8.129 3.507 1.00 0.00 N ATOM 755 CA HIS A 49 -1.440 -8.392 2.849 1.00 0.00 C ATOM 756 C HIS A 49 -1.625 -8.371 1.333 1.00 0.00 C ATOM 757 O HIS A 49 -2.591 -8.888 0.810 1.00 0.00 O ATOM 758 CB HIS A 49 -0.913 -9.760 3.285 1.00 0.00 C ATOM 759 CG HIS A 49 -0.637 -9.745 4.763 1.00 0.00 C ATOM 760 ND1 HIS A 49 -1.624 -10.019 5.700 1.00 0.00 N ATOM 761 CD2 HIS A 49 0.508 -9.511 5.483 1.00 0.00 C ATOM 762 CE1 HIS A 49 -1.061 -9.945 6.919 1.00 0.00 C ATOM 763 NE2 HIS A 49 0.236 -9.638 6.842 1.00 0.00 N ATOM 0 H HIS A 49 -3.449 -8.866 3.399 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.724 -7.623 3.139 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.643 -10.535 3.049 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.002 -10.002 2.737 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.471 -9.266 5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.592 -10.113 7.845 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.890 -9.521 7.616 1.00 0.00 H new ATOM 772 N VAL A 50 -0.710 -7.771 0.622 1.00 0.00 N ATOM 773 CA VAL A 50 -0.848 -7.711 -0.861 1.00 0.00 C ATOM 774 C VAL A 50 -0.220 -8.951 -1.498 1.00 0.00 C ATOM 775 O VAL A 50 0.846 -9.394 -1.118 1.00 0.00 O ATOM 776 CB VAL A 50 -0.155 -6.455 -1.400 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.659 -5.796 -0.294 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.766 -6.831 -2.564 1.00 0.00 C ATOM 0 H VAL A 50 0.123 -7.322 1.001 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.908 -7.676 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.912 -5.754 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.149 -4.904 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.001 -5.517 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.413 -6.495 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.257 -5.935 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.520 -7.538 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.178 -7.288 -3.360 1.00 0.00 H new ATOM 788 N GLU A 51 -0.874 -9.495 -2.479 1.00 0.00 N ATOM 789 CA GLU A 51 -0.342 -10.692 -3.180 1.00 0.00 C ATOM 790 C GLU A 51 0.857 -10.263 -4.041 1.00 0.00 C ATOM 791 O GLU A 51 1.308 -9.139 -3.951 1.00 0.00 O ATOM 792 CB GLU A 51 -1.459 -11.267 -4.053 1.00 0.00 C ATOM 793 CG GLU A 51 -1.721 -12.729 -3.688 1.00 0.00 C ATOM 794 CD GLU A 51 -2.796 -12.794 -2.607 1.00 0.00 C ATOM 795 OE1 GLU A 51 -2.529 -12.340 -1.508 1.00 0.00 O ATOM 796 OE2 GLU A 51 -3.867 -13.296 -2.898 1.00 0.00 O ATOM 0 H GLU A 51 -1.769 -9.156 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.011 -11.453 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.370 -10.683 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.183 -11.192 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.042 -13.284 -4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.803 -13.197 -3.333 1.00 0.00 H new ATOM 804 N PRO A 52 1.383 -11.140 -4.859 1.00 0.00 N ATOM 805 CA PRO A 52 2.554 -10.818 -5.721 1.00 0.00 C ATOM 806 C PRO A 52 2.175 -9.914 -6.895 1.00 0.00 C ATOM 807 O PRO A 52 2.473 -8.739 -6.904 1.00 0.00 O ATOM 808 CB PRO A 52 3.027 -12.182 -6.222 1.00 0.00 C ATOM 809 CG PRO A 52 1.825 -13.063 -6.165 1.00 0.00 C ATOM 810 CD PRO A 52 0.930 -12.526 -5.053 1.00 0.00 C ATOM 0 HA PRO A 52 3.321 -10.270 -5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.417 -12.114 -7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.831 -12.573 -5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.298 -13.059 -7.119 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.113 -14.095 -5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.122 -12.565 -5.336 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.036 -13.111 -4.139 1.00 0.00 H new ATOM 818 N GLY A 53 1.510 -10.453 -7.879 1.00 0.00 N ATOM 819 CA GLY A 53 1.101 -9.623 -9.046 1.00 0.00 C ATOM 820 C GLY A 53 -0.115 -8.778 -8.661 1.00 0.00 C ATOM 821 O GLY A 53 -0.790 -8.222 -9.502 1.00 0.00 O ATOM 0 H GLY A 53 1.232 -11.433 -7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.924 -8.978 -9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.860 -10.262 -9.896 1.00 0.00 H new ATOM 825 N GLU A 54 -0.398 -8.684 -7.389 1.00 0.00 N ATOM 826 CA GLU A 54 -1.572 -7.883 -6.938 1.00 0.00 C ATOM 827 C GLU A 54 -1.180 -6.413 -6.826 1.00 0.00 C ATOM 828 O GLU A 54 -0.048 -6.079 -6.535 1.00 0.00 O ATOM 829 CB GLU A 54 -2.035 -8.373 -5.567 1.00 0.00 C ATOM 830 CG GLU A 54 -3.326 -7.656 -5.185 1.00 0.00 C ATOM 831 CD GLU A 54 -3.725 -8.034 -3.754 1.00 0.00 C ATOM 832 OE1 GLU A 54 -4.816 -7.668 -3.347 1.00 0.00 O ATOM 833 OE2 GLU A 54 -2.929 -8.675 -3.088 1.00 0.00 O ATOM 0 H GLU A 54 0.135 -9.129 -6.642 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.377 -7.998 -7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.197 -9.451 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.264 -8.181 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.190 -6.577 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.122 -7.927 -5.878 1.00 0.00 H new ATOM 841 N ASP A 55 -2.110 -5.525 -7.049 1.00 0.00 N ATOM 842 CA ASP A 55 -1.789 -4.078 -6.949 1.00 0.00 C ATOM 843 C ASP A 55 -1.629 -3.688 -5.488 1.00 0.00 C ATOM 844 O ASP A 55 -2.059 -4.383 -4.590 1.00 0.00 O ATOM 845 CB ASP A 55 -2.912 -3.242 -7.547 1.00 0.00 C ATOM 846 CG ASP A 55 -2.448 -1.788 -7.667 1.00 0.00 C ATOM 847 OD1 ASP A 55 -3.221 -0.978 -8.148 1.00 0.00 O ATOM 848 OD2 ASP A 55 -1.325 -1.514 -7.275 1.00 0.00 O ATOM 0 H ASP A 55 -3.076 -5.741 -7.296 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.864 -3.894 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.188 -3.630 -8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.801 -3.302 -6.919 1.00 0.00 H new ATOM 854 N ASP A 56 -1.011 -2.568 -5.254 1.00 0.00 N ATOM 855 CA ASP A 56 -0.808 -2.103 -3.862 1.00 0.00 C ATOM 856 C ASP A 56 -2.115 -1.531 -3.304 1.00 0.00 C ATOM 857 O ASP A 56 -2.606 -1.959 -2.277 1.00 0.00 O ATOM 858 CB ASP A 56 0.267 -1.019 -3.857 1.00 0.00 C ATOM 859 CG ASP A 56 1.572 -1.599 -4.407 1.00 0.00 C ATOM 860 OD1 ASP A 56 1.706 -2.810 -4.400 1.00 0.00 O ATOM 861 OD2 ASP A 56 2.413 -0.820 -4.826 1.00 0.00 O ATOM 0 H ASP A 56 -0.636 -1.951 -5.975 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.496 -2.941 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.052 -0.171 -4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.419 -0.646 -2.844 1.00 0.00 H new ATOM 867 N LEU A 57 -2.681 -0.556 -3.968 1.00 0.00 N ATOM 868 CA LEU A 57 -3.948 0.047 -3.462 1.00 0.00 C ATOM 869 C LEU A 57 -5.063 -0.997 -3.459 1.00 0.00 C ATOM 870 O LEU A 57 -5.826 -1.102 -2.517 1.00 0.00 O ATOM 871 CB LEU A 57 -4.349 1.223 -4.360 1.00 0.00 C ATOM 872 CG LEU A 57 -5.686 1.797 -3.885 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.577 2.215 -2.419 1.00 0.00 C ATOM 874 CD2 LEU A 57 -6.038 3.018 -4.734 1.00 0.00 C ATOM 0 H LEU A 57 -2.322 -0.154 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.791 0.401 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.580 1.995 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.431 0.892 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.463 1.039 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.531 2.623 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.321 1.347 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.801 2.973 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.990 3.431 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.258 3.772 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.118 2.723 -5.780 1.00 0.00 H new ATOM 886 N GLU A 58 -5.159 -1.778 -4.496 1.00 0.00 N ATOM 887 CA GLU A 58 -6.225 -2.815 -4.553 1.00 0.00 C ATOM 888 C GLU A 58 -6.158 -3.667 -3.289 1.00 0.00 C ATOM 889 O GLU A 58 -7.167 -4.011 -2.707 1.00 0.00 O ATOM 890 CB GLU A 58 -6.004 -3.697 -5.780 1.00 0.00 C ATOM 891 CG GLU A 58 -6.377 -2.922 -7.052 1.00 0.00 C ATOM 892 CD GLU A 58 -5.624 -1.589 -7.106 1.00 0.00 C ATOM 893 OE1 GLU A 58 -4.596 -1.477 -6.460 1.00 0.00 O ATOM 894 OE2 GLU A 58 -6.088 -0.697 -7.799 1.00 0.00 O ATOM 0 H GLU A 58 -4.544 -1.743 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.204 -2.340 -4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.962 -4.014 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.609 -4.601 -5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.137 -3.518 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.452 -2.741 -7.073 1.00 0.00 H new ATOM 902 N THR A 59 -4.976 -3.988 -2.841 1.00 0.00 N ATOM 903 CA THR A 59 -4.864 -4.789 -1.595 1.00 0.00 C ATOM 904 C THR A 59 -5.551 -4.017 -0.475 1.00 0.00 C ATOM 905 O THR A 59 -6.286 -4.575 0.317 1.00 0.00 O ATOM 906 CB THR A 59 -3.391 -5.015 -1.264 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.802 -5.768 -2.312 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.266 -5.780 0.057 1.00 0.00 C ATOM 0 H THR A 59 -4.092 -3.732 -3.280 1.00 0.00 H new ATOM 0 HA THR A 59 -5.340 -5.762 -1.717 1.00 0.00 H new ATOM 0 HB THR A 59 -2.882 -4.056 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.584 -5.173 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.212 -5.938 0.288 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.730 -5.203 0.857 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.767 -6.744 -0.032 1.00 0.00 H new ATOM 916 N ALA A 60 -5.350 -2.728 -0.422 1.00 0.00 N ATOM 917 CA ALA A 60 -6.029 -1.919 0.620 1.00 0.00 C ATOM 918 C ALA A 60 -7.529 -1.974 0.342 1.00 0.00 C ATOM 919 O ALA A 60 -8.336 -2.131 1.235 1.00 0.00 O ATOM 920 CB ALA A 60 -5.540 -0.471 0.546 1.00 0.00 C ATOM 0 H ALA A 60 -4.746 -2.205 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.810 -2.308 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.040 0.121 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.463 -0.442 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.768 -0.060 -0.437 1.00 0.00 H new ATOM 926 N LEU A 61 -7.900 -1.860 -0.907 1.00 0.00 N ATOM 927 CA LEU A 61 -9.342 -1.919 -1.278 1.00 0.00 C ATOM 928 C LEU A 61 -9.919 -3.270 -0.863 1.00 0.00 C ATOM 929 O LEU A 61 -10.924 -3.353 -0.188 1.00 0.00 O ATOM 930 CB LEU A 61 -9.451 -1.811 -2.797 1.00 0.00 C ATOM 931 CG LEU A 61 -8.819 -0.509 -3.275 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.908 -0.445 -4.801 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.575 0.675 -2.664 1.00 0.00 C ATOM 0 H LEU A 61 -7.260 -1.728 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.882 -1.112 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.954 -2.660 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.498 -1.848 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.774 -0.466 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.458 0.483 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.375 -1.293 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.954 -0.480 -5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.126 1.608 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.619 0.640 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.519 0.620 -1.577 1.00 0.00 H new ATOM 945 N ARG A 62 -9.281 -4.330 -1.276 1.00 0.00 N ATOM 946 CA ARG A 62 -9.775 -5.691 -0.929 1.00 0.00 C ATOM 947 C ARG A 62 -9.804 -5.860 0.588 1.00 0.00 C ATOM 948 O ARG A 62 -10.726 -6.424 1.146 1.00 0.00 O ATOM 949 CB ARG A 62 -8.838 -6.735 -1.539 1.00 0.00 C ATOM 950 CG ARG A 62 -9.367 -8.138 -1.234 1.00 0.00 C ATOM 951 CD ARG A 62 -8.437 -9.185 -1.857 1.00 0.00 C ATOM 952 NE ARG A 62 -7.136 -9.199 -1.131 1.00 0.00 N ATOM 953 CZ ARG A 62 -6.143 -9.904 -1.594 1.00 0.00 C ATOM 954 NH1 ARG A 62 -6.300 -10.609 -2.679 1.00 0.00 N ATOM 955 NH2 ARG A 62 -4.995 -9.908 -0.974 1.00 0.00 N ATOM 0 H ARG A 62 -8.433 -4.311 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.783 -5.823 -1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.766 -6.589 -2.617 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.833 -6.618 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.429 -8.288 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.376 -8.251 -1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.901 -10.170 -1.811 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.274 -8.959 -2.911 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.023 -8.658 -0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.198 -10.608 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.525 -11.162 -3.044 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.873 -9.358 -0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.220 -10.461 -1.340 1.00 0.00 H new ATOM 969 N ALA A 63 -8.799 -5.384 1.263 1.00 0.00 N ATOM 970 CA ALA A 63 -8.766 -5.523 2.742 1.00 0.00 C ATOM 971 C ALA A 63 -9.813 -4.595 3.369 1.00 0.00 C ATOM 972 O ALA A 63 -10.407 -4.900 4.384 1.00 0.00 O ATOM 973 CB ALA A 63 -7.375 -5.146 3.257 1.00 0.00 C ATOM 0 H ALA A 63 -7.998 -4.904 0.854 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.988 -6.555 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.349 -5.247 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.631 -5.807 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.153 -4.114 2.984 1.00 0.00 H new ATOM 979 N THR A 64 -10.033 -3.454 2.771 1.00 0.00 N ATOM 980 CA THR A 64 -11.027 -2.494 3.327 1.00 0.00 C ATOM 981 C THR A 64 -12.409 -3.146 3.410 1.00 0.00 C ATOM 982 O THR A 64 -13.086 -3.060 4.416 1.00 0.00 O ATOM 983 CB THR A 64 -11.098 -1.275 2.404 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.789 -0.772 2.194 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.954 -0.185 3.045 1.00 0.00 C ATOM 0 H THR A 64 -9.565 -3.146 1.919 1.00 0.00 H new ATOM 0 HA THR A 64 -10.720 -2.196 4.330 1.00 0.00 H new ATOM 0 HB THR A 64 -11.542 -1.571 1.454 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.318 -1.344 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.999 0.679 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.961 -0.566 3.214 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.513 0.111 3.997 1.00 0.00 H new ATOM 993 N GLN A 65 -12.844 -3.790 2.360 1.00 0.00 N ATOM 994 CA GLN A 65 -14.191 -4.430 2.390 1.00 0.00 C ATOM 995 C GLN A 65 -14.124 -5.772 3.125 1.00 0.00 C ATOM 996 O GLN A 65 -15.028 -6.134 3.853 1.00 0.00 O ATOM 997 CB GLN A 65 -14.699 -4.627 0.954 1.00 0.00 C ATOM 998 CG GLN A 65 -15.165 -6.071 0.752 1.00 0.00 C ATOM 999 CD GLN A 65 -15.721 -6.234 -0.662 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -14.992 -6.117 -1.626 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -16.984 -6.504 -0.830 1.00 0.00 N ATOM 0 H GLN A 65 -12.328 -3.900 1.487 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.885 -3.782 2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.522 -3.940 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.906 -4.390 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.333 -6.758 0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.930 -6.324 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -17.597 -6.602 -0.020 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.361 -6.617 -1.771 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.071 -6.511 2.942 1.00 0.00 N ATOM 1011 CA GLU A 66 -12.957 -7.828 3.630 1.00 0.00 C ATOM 1012 C GLU A 66 -12.940 -7.628 5.148 1.00 0.00 C ATOM 1013 O GLU A 66 -13.531 -8.391 5.887 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.662 -8.514 3.195 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.794 -8.984 1.745 1.00 0.00 C ATOM 1016 CD GLU A 66 -12.816 -10.121 1.672 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -13.128 -10.676 2.712 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -13.265 -10.416 0.576 1.00 0.00 O ATOM 0 H GLU A 66 -12.282 -6.263 2.346 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.813 -8.447 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.823 -7.824 3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.452 -9.363 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.108 -8.156 1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.828 -9.324 1.371 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.267 -6.616 5.623 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.214 -6.383 7.096 1.00 0.00 C ATOM 1028 C GLU A 67 -13.170 -5.257 7.498 1.00 0.00 C ATOM 1029 O GLU A 67 -13.285 -4.921 8.664 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.794 -5.994 7.499 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.840 -7.147 7.199 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.437 -6.782 7.685 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.581 -7.652 7.675 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -8.244 -5.638 8.061 1.00 0.00 O ATOM 0 H GLU A 67 -11.752 -5.941 5.057 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.511 -7.301 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.483 -5.101 6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.761 -5.749 8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.183 -8.056 7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.825 -7.352 6.129 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.843 -4.660 6.561 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.771 -3.551 6.924 1.00 0.00 C ATOM 1044 C ALA A 68 -16.044 -3.645 6.092 1.00 0.00 C ATOM 1045 O ALA A 68 -17.078 -3.145 6.475 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.088 -2.206 6.657 1.00 0.00 C ATOM 0 H ALA A 68 -13.795 -4.886 5.568 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.026 -3.630 7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.766 -1.395 6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.182 -2.133 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.830 -2.132 5.601 1.00 0.00 H new ATOM 1052 N GLY A 69 -15.982 -4.271 4.956 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.201 -4.377 4.111 1.00 0.00 C ATOM 1054 C GLY A 69 -17.266 -3.177 3.172 1.00 0.00 C ATOM 1055 O GLY A 69 -18.085 -3.121 2.277 1.00 0.00 O ATOM 0 H GLY A 69 -15.145 -4.713 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.180 -5.303 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.091 -4.411 4.739 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.407 -2.218 3.364 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.426 -1.031 2.480 1.00 0.00 C ATOM 1061 C ILE A 70 -15.342 -1.191 1.412 1.00 0.00 C ATOM 1062 O ILE A 70 -14.198 -1.473 1.711 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.146 0.232 3.295 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.969 0.226 4.584 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.557 1.444 2.463 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.290 1.119 5.632 1.00 0.00 C ATOM 0 H ILE A 70 -15.695 -2.208 4.094 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.406 -0.944 2.011 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.086 0.270 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.979 0.585 4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.062 -0.792 4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.365 2.356 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.981 1.462 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.619 1.380 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.878 1.114 6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.289 0.740 5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.220 2.138 5.252 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.692 -1.013 0.167 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.682 -1.150 -0.921 1.00 0.00 C ATOM 1080 C GLU A 71 -14.510 0.198 -1.618 1.00 0.00 C ATOM 1081 O GLU A 71 -15.266 1.121 -1.387 1.00 0.00 O ATOM 1082 CB GLU A 71 -15.150 -2.200 -1.929 1.00 0.00 C ATOM 1083 CG GLU A 71 -16.350 -1.661 -2.705 1.00 0.00 C ATOM 1084 CD GLU A 71 -16.861 -2.734 -3.665 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -17.034 -3.859 -3.229 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -17.067 -2.410 -4.822 1.00 0.00 O ATOM 0 H GLU A 71 -16.635 -0.778 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.728 -1.465 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.340 -2.447 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.421 -3.121 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.141 -1.369 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.066 -0.767 -3.260 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.530 0.325 -2.470 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.322 1.626 -3.174 1.00 0.00 C ATOM 1096 C ALA A 72 -14.643 2.092 -3.770 1.00 0.00 C ATOM 1097 O ALA A 72 -14.960 3.266 -3.752 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.285 1.462 -4.281 1.00 0.00 C ATOM 0 H ALA A 72 -12.866 -0.411 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.961 2.368 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.140 2.416 -4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.340 1.134 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.633 0.719 -4.998 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.428 1.190 -4.276 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.733 1.599 -4.847 1.00 0.00 C ATOM 1106 C GLY A 73 -17.550 2.273 -3.745 1.00 0.00 C ATOM 1107 O GLY A 73 -18.453 3.041 -4.007 1.00 0.00 O ATOM 0 H GLY A 73 -15.224 0.192 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.584 2.284 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.265 0.731 -5.237 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.244 1.975 -2.507 1.00 0.00 N ATOM 1112 CA GLN A 74 -18.007 2.585 -1.382 1.00 0.00 C ATOM 1113 C GLN A 74 -17.201 3.711 -0.714 1.00 0.00 C ATOM 1114 O GLN A 74 -17.723 4.435 0.109 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.348 1.507 -0.354 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.309 0.498 -0.985 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.796 -0.483 0.080 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -20.520 -1.413 -0.218 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -19.442 -0.310 1.322 1.00 0.00 N ATOM 0 H GLN A 74 -16.499 1.336 -2.230 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.925 3.017 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.440 1.004 -0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.803 1.959 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -20.157 1.018 -1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.809 -0.042 -1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -18.835 0.469 1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -19.772 -0.954 2.041 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.953 3.899 -1.069 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.182 5.025 -0.450 1.00 0.00 C ATOM 1130 C LEU A 75 -14.559 5.873 -1.549 1.00 0.00 C ATOM 1131 O LEU A 75 -14.861 5.722 -2.716 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.055 4.556 0.493 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.971 3.030 0.589 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.707 2.544 -0.118 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.879 2.617 2.057 1.00 0.00 C ATOM 0 H LEU A 75 -15.442 3.334 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.895 5.593 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.102 4.948 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.220 4.971 1.487 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.857 2.596 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.647 1.458 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.740 2.841 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.831 2.986 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.819 1.531 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.988 3.059 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.764 2.966 2.589 1.00 0.00 H new ATOM 1147 N THR A 76 -13.683 6.759 -1.178 1.00 0.00 N ATOM 1148 CA THR A 76 -13.013 7.623 -2.183 1.00 0.00 C ATOM 1149 C THR A 76 -11.534 7.725 -1.818 1.00 0.00 C ATOM 1150 O THR A 76 -11.164 8.401 -0.882 1.00 0.00 O ATOM 1151 CB THR A 76 -13.644 9.015 -2.166 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.971 8.939 -2.666 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.818 9.964 -3.032 1.00 0.00 C ATOM 0 H THR A 76 -13.400 6.923 -0.212 1.00 0.00 H new ATOM 0 HA THR A 76 -13.126 7.197 -3.180 1.00 0.00 H new ATOM 0 HB THR A 76 -13.665 9.392 -1.143 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.377 9.831 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.270 10.956 -3.018 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.802 10.023 -2.641 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.791 9.592 -4.056 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.692 7.050 -2.544 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.239 7.094 -2.230 1.00 0.00 C ATOM 1163 C ILE A 77 -8.678 8.455 -2.639 1.00 0.00 C ATOM 1164 O ILE A 77 -8.874 8.910 -3.747 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.519 5.988 -3.003 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.363 4.708 -2.975 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.158 5.715 -2.355 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.389 4.129 -1.560 1.00 0.00 C ATOM 0 H ILE A 77 -10.947 6.469 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.088 6.944 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.374 6.304 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.378 4.925 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.951 3.976 -3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.644 4.927 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.556 6.624 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.304 5.400 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.991 3.220 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.372 3.895 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.822 4.859 -0.876 1.00 0.00 H new ATOM 1180 N ILE A 78 -7.992 9.112 -1.751 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.430 10.446 -2.092 1.00 0.00 C ATOM 1182 C ILE A 78 -6.045 10.278 -2.706 1.00 0.00 C ATOM 1183 O ILE A 78 -5.256 9.454 -2.287 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.360 11.312 -0.833 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.368 12.459 -0.966 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -5.951 11.888 -0.662 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.790 11.892 -0.949 1.00 0.00 C ATOM 0 H ILE A 78 -7.796 8.785 -0.805 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.075 10.940 -2.819 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.596 10.702 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.238 13.168 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.194 13.005 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.916 12.502 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.233 11.073 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.700 12.500 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.508 12.707 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.916 11.199 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.961 11.365 -0.010 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.761 11.050 -3.715 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.447 10.953 -4.400 1.00 0.00 C ATOM 1201 C GLU A 79 -3.515 12.063 -3.912 1.00 0.00 C ATOM 1202 O GLU A 79 -3.949 13.127 -3.518 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.669 11.090 -5.905 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.583 9.959 -6.379 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.796 10.075 -7.886 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.428 11.097 -8.438 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.325 9.141 -8.464 1.00 0.00 O ATOM 0 H GLU A 79 -6.393 11.753 -4.098 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.987 9.990 -4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.118 12.057 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.715 11.049 -6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.140 8.993 -6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.541 10.009 -5.861 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.235 11.821 -3.944 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.266 12.856 -3.489 1.00 0.00 C ATOM 1217 C GLY A 80 -0.755 12.485 -2.098 1.00 0.00 C ATOM 1218 O GLY A 80 0.320 12.883 -1.697 1.00 0.00 O ATOM 0 H GLY A 80 -1.817 10.948 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.434 12.925 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.745 13.835 -3.465 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.511 11.718 -1.364 1.00 0.00 N ATOM 1223 CA PHE A 81 -1.054 11.320 -0.006 1.00 0.00 C ATOM 1224 C PHE A 81 -0.606 9.862 -0.010 1.00 0.00 C ATOM 1225 O PHE A 81 -1.364 8.971 -0.335 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.192 11.470 0.998 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.700 11.008 2.346 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.801 9.658 2.703 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.132 11.926 3.236 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.334 9.227 3.951 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.668 11.496 4.483 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.768 10.147 4.841 1.00 0.00 C ATOM 0 H PHE A 81 -2.421 11.352 -1.644 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.222 11.966 0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.519 12.509 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.054 10.880 0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.239 8.949 2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.052 12.967 2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.411 8.186 4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.232 12.206 5.170 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.408 9.816 5.804 1.00 0.00 H new ATOM 1242 N LYS A 82 0.612 9.609 0.379 1.00 0.00 N ATOM 1243 CA LYS A 82 1.093 8.203 0.423 1.00 0.00 C ATOM 1244 C LYS A 82 2.151 8.064 1.512 1.00 0.00 C ATOM 1245 O LYS A 82 3.121 8.792 1.549 1.00 0.00 O ATOM 1246 CB LYS A 82 1.714 7.802 -0.911 1.00 0.00 C ATOM 1247 CG LYS A 82 1.367 6.341 -1.198 1.00 0.00 C ATOM 1248 CD LYS A 82 1.975 5.922 -2.534 1.00 0.00 C ATOM 1249 CE LYS A 82 3.484 5.729 -2.375 1.00 0.00 C ATOM 1250 NZ LYS A 82 4.200 6.617 -3.332 1.00 0.00 N ATOM 0 H LYS A 82 1.292 10.313 0.667 1.00 0.00 H new ATOM 0 HA LYS A 82 0.242 7.555 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.339 8.443 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.796 7.933 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.745 5.703 -0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.285 6.212 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.515 4.997 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.773 6.680 -3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.785 5.959 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.750 4.688 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.226 6.487 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.920 6.377 -4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.954 7.608 -3.136 1.00 0.00 H new ATOM 1264 N ARG A 83 1.979 7.120 2.385 1.00 0.00 N ATOM 1265 CA ARG A 83 2.976 6.906 3.462 1.00 0.00 C ATOM 1266 C ARG A 83 2.845 5.472 3.961 1.00 0.00 C ATOM 1267 O ARG A 83 1.749 4.976 4.143 1.00 0.00 O ATOM 1268 CB ARG A 83 2.707 7.877 4.615 1.00 0.00 C ATOM 1269 CG ARG A 83 3.776 7.713 5.701 1.00 0.00 C ATOM 1270 CD ARG A 83 5.065 8.421 5.277 1.00 0.00 C ATOM 1271 NE ARG A 83 6.117 8.209 6.314 1.00 0.00 N ATOM 1272 CZ ARG A 83 6.253 9.063 7.294 1.00 0.00 C ATOM 1273 NH1 ARG A 83 5.455 10.093 7.384 1.00 0.00 N ATOM 1274 NH2 ARG A 83 7.187 8.885 8.188 1.00 0.00 N ATOM 0 H ARG A 83 1.184 6.481 2.399 1.00 0.00 H new ATOM 0 HA ARG A 83 3.982 7.081 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.707 8.902 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.719 7.690 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.416 8.128 6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.972 6.655 5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.405 8.035 4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.880 9.487 5.145 1.00 0.00 H new ATOM 0 HE ARG A 83 6.731 7.396 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.723 10.233 6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.564 10.757 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.810 8.080 8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.294 9.551 8.953 1.00 0.00 H new ATOM 1288 N GLU A 84 3.934 4.793 4.185 1.00 0.00 N ATOM 1289 CA GLU A 84 3.823 3.394 4.675 1.00 0.00 C ATOM 1290 C GLU A 84 4.438 3.272 6.059 1.00 0.00 C ATOM 1291 O GLU A 84 5.460 3.861 6.349 1.00 0.00 O ATOM 1292 CB GLU A 84 4.528 2.425 3.724 1.00 0.00 C ATOM 1293 CG GLU A 84 5.947 2.909 3.422 1.00 0.00 C ATOM 1294 CD GLU A 84 5.892 4.185 2.584 1.00 0.00 C ATOM 1295 OE1 GLU A 84 4.845 4.460 2.025 1.00 0.00 O ATOM 1296 OE2 GLU A 84 6.901 4.866 2.516 1.00 0.00 O ATOM 0 H GLU A 84 4.884 5.141 4.052 1.00 0.00 H new ATOM 0 HA GLU A 84 2.764 3.138 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.563 1.431 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.961 2.339 2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.482 3.097 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.499 2.136 2.888 1.00 0.00 H new ATOM 1304 N LEU A 85 3.830 2.503 6.916 1.00 0.00 N ATOM 1305 CA LEU A 85 4.397 2.337 8.272 1.00 0.00 C ATOM 1306 C LEU A 85 5.221 1.049 8.286 1.00 0.00 C ATOM 1307 O LEU A 85 4.709 -0.031 8.070 1.00 0.00 O ATOM 1308 CB LEU A 85 3.264 2.260 9.303 1.00 0.00 C ATOM 1309 CG LEU A 85 2.281 3.414 9.068 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.370 3.584 10.286 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.047 4.717 8.829 1.00 0.00 C ATOM 0 H LEU A 85 2.970 1.986 6.734 1.00 0.00 H new ATOM 0 HA LEU A 85 5.031 3.186 8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.746 1.304 9.220 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.672 2.315 10.312 1.00 0.00 H new ATOM 0 HG LEU A 85 1.677 3.181 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.676 4.406 10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.809 2.664 10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.975 3.803 11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.340 5.530 8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.662 4.943 9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.686 4.608 7.953 1.00 0.00 H new ATOM 1323 N ASN A 86 6.502 1.160 8.512 1.00 0.00 N ATOM 1324 CA ASN A 86 7.359 -0.056 8.506 1.00 0.00 C ATOM 1325 C ASN A 86 7.855 -0.361 9.917 1.00 0.00 C ATOM 1326 O ASN A 86 8.492 0.451 10.555 1.00 0.00 O ATOM 1327 CB ASN A 86 8.571 0.179 7.601 1.00 0.00 C ATOM 1328 CG ASN A 86 8.125 0.784 6.271 1.00 0.00 C ATOM 1329 OD1 ASN A 86 8.944 1.230 5.490 1.00 0.00 O ATOM 1330 ND2 ASN A 86 6.856 0.830 5.975 1.00 0.00 N ATOM 0 H ASN A 86 6.989 2.037 8.700 1.00 0.00 H new ATOM 0 HA ASN A 86 6.770 -0.896 8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.278 0.846 8.094 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.091 -0.763 7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.553 1.239 5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.166 0.457 6.627 1.00 0.00 H new ATOM 1337 N TYR A 87 7.578 -1.540 10.395 1.00 0.00 N ATOM 1338 CA TYR A 87 8.046 -1.927 11.751 1.00 0.00 C ATOM 1339 C TYR A 87 7.922 -3.434 11.915 1.00 0.00 C ATOM 1340 O TYR A 87 7.135 -4.082 11.255 1.00 0.00 O ATOM 1341 CB TYR A 87 7.205 -1.234 12.824 1.00 0.00 C ATOM 1342 CG TYR A 87 5.743 -1.516 12.587 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.162 -2.691 13.080 1.00 0.00 C ATOM 1344 CD2 TYR A 87 4.962 -0.598 11.875 1.00 0.00 C ATOM 1345 CE1 TYR A 87 3.805 -2.948 12.859 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.606 -0.854 11.654 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.026 -2.028 12.146 1.00 0.00 C ATOM 1348 OH TYR A 87 1.686 -2.278 11.929 1.00 0.00 O ATOM 0 H TYR A 87 7.045 -2.256 9.901 1.00 0.00 H new ATOM 0 HA TYR A 87 9.086 -1.622 11.864 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.497 -1.587 13.813 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.386 -0.159 12.803 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.762 -3.399 13.631 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.408 0.310 11.496 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.358 -3.855 13.238 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.006 -0.145 11.103 1.00 0.00 H new ATOM 0 HH TYR A 87 1.294 -1.539 11.419 1.00 0.00 H new ATOM 1444 N PRO A 93 9.282 -7.483 9.859 1.00 0.00 N ATOM 1445 CA PRO A 93 9.039 -6.066 9.454 1.00 0.00 C ATOM 1446 C PRO A 93 7.995 -5.939 8.359 1.00 0.00 C ATOM 1447 O PRO A 93 8.124 -6.513 7.303 1.00 0.00 O ATOM 1448 CB PRO A 93 10.384 -5.598 8.924 1.00 0.00 C ATOM 1449 CG PRO A 93 11.086 -6.836 8.479 1.00 0.00 C ATOM 1450 CD PRO A 93 10.556 -7.984 9.331 1.00 0.00 C ATOM 0 HA PRO A 93 8.661 -5.481 10.293 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.259 -4.899 8.097 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.952 -5.080 9.697 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.901 -7.024 7.421 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.164 -6.732 8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.413 -8.887 8.738 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.248 -8.236 10.134 1.00 0.00 H new ATOM 1458 N LYS A 94 6.975 -5.180 8.595 1.00 0.00 N ATOM 1459 CA LYS A 94 5.923 -5.019 7.562 1.00 0.00 C ATOM 1460 C LYS A 94 5.899 -3.602 7.025 1.00 0.00 C ATOM 1461 O LYS A 94 5.789 -2.649 7.769 1.00 0.00 O ATOM 1462 CB LYS A 94 4.558 -5.282 8.183 1.00 0.00 C ATOM 1463 CG LYS A 94 4.363 -6.766 8.490 1.00 0.00 C ATOM 1464 CD LYS A 94 3.011 -6.957 9.183 1.00 0.00 C ATOM 1465 CE LYS A 94 1.917 -6.243 8.379 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.851 -4.808 8.789 1.00 0.00 N ATOM 0 H LYS A 94 6.821 -4.661 9.460 1.00 0.00 H new ATOM 0 HA LYS A 94 6.141 -5.721 6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.456 -4.702 9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.776 -4.943 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.400 -7.349 7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.168 -7.127 9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.781 -8.019 9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.051 -6.558 10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.128 -6.318 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.954 -6.725 8.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.856 -4.516 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.324 -4.687 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.327 -4.221 8.075 1.00 0.00 H new ATOM 1480 N THR A 95 5.906 -3.454 5.732 1.00 0.00 N ATOM 1481 CA THR A 95 5.787 -2.095 5.161 1.00 0.00 C ATOM 1482 C THR A 95 4.307 -1.907 4.861 1.00 0.00 C ATOM 1483 O THR A 95 3.734 -2.621 4.060 1.00 0.00 O ATOM 1484 CB THR A 95 6.598 -1.970 3.868 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.977 -1.835 4.179 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.127 -0.734 3.099 1.00 0.00 C ATOM 0 H THR A 95 5.988 -4.211 5.054 1.00 0.00 H new ATOM 0 HA THR A 95 6.169 -1.343 5.851 1.00 0.00 H new ATOM 0 HB THR A 95 6.453 -2.862 3.259 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.493 -1.757 3.350 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.700 -0.639 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.069 -0.836 2.859 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.276 0.155 3.712 1.00 0.00 H new ATOM 1494 N VAL A 96 3.670 -0.989 5.515 1.00 0.00 N ATOM 1495 CA VAL A 96 2.217 -0.803 5.282 1.00 0.00 C ATOM 1496 C VAL A 96 1.976 0.534 4.593 1.00 0.00 C ATOM 1497 O VAL A 96 2.286 1.568 5.129 1.00 0.00 O ATOM 1498 CB VAL A 96 1.505 -0.811 6.636 1.00 0.00 C ATOM 1499 CG1 VAL A 96 0.003 -0.648 6.428 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.781 -2.137 7.354 1.00 0.00 C ATOM 0 H VAL A 96 4.089 -0.359 6.200 1.00 0.00 H new ATOM 0 HA VAL A 96 1.835 -1.604 4.649 1.00 0.00 H new ATOM 0 HB VAL A 96 1.877 0.015 7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.501 -0.654 7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.194 0.297 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.371 -1.470 5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.273 -2.141 8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.412 -2.963 6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.854 -2.251 7.509 1.00 0.00 H new ATOM 1510 N ILE A 97 1.405 0.518 3.417 1.00 0.00 N ATOM 1511 CA ILE A 97 1.131 1.796 2.694 1.00 0.00 C ATOM 1512 C ILE A 97 -0.317 2.198 2.968 1.00 0.00 C ATOM 1513 O ILE A 97 -1.230 1.422 2.771 1.00 0.00 O ATOM 1514 CB ILE A 97 1.346 1.585 1.189 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.764 1.048 0.946 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.150 2.909 0.445 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.702 2.179 0.506 1.00 0.00 C ATOM 0 H ILE A 97 1.116 -0.327 2.925 1.00 0.00 H new ATOM 0 HA ILE A 97 1.804 2.583 3.036 1.00 0.00 H new ATOM 0 HB ILE A 97 0.620 0.862 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.145 0.586 1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.738 0.271 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.304 2.753 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.138 3.276 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.868 3.642 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.702 1.778 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.330 2.622 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.742 2.942 1.284 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.537 3.395 3.446 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.929 3.814 3.761 1.00 0.00 C ATOM 1531 C TYR A 98 -2.403 4.930 2.829 1.00 0.00 C ATOM 1532 O TYR A 98 -1.750 5.938 2.653 1.00 0.00 O ATOM 1533 CB TYR A 98 -1.995 4.339 5.195 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.970 3.194 6.182 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.063 2.324 6.277 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.858 3.013 7.010 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.041 1.272 7.201 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.837 1.959 7.935 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.930 1.094 8.031 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.909 0.058 8.944 1.00 0.00 O ATOM 0 H TYR A 98 0.183 4.094 3.630 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.571 2.942 3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.154 5.007 5.383 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.904 4.925 5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.922 2.464 5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.015 3.685 6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.882 0.598 7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.023 1.816 8.572 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.064 0.076 9.440 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.570 4.760 2.275 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.158 5.803 1.397 1.00 0.00 C ATOM 1552 C TRP A 99 -5.380 6.368 2.122 1.00 0.00 C ATOM 1553 O TRP A 99 -6.091 5.646 2.789 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.590 5.186 0.061 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.419 5.090 -0.863 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.933 6.113 -1.602 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.591 3.935 -1.166 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.857 5.657 -2.339 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.605 4.321 -2.103 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.596 2.602 -0.718 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.664 3.414 -2.585 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.645 1.690 -1.202 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.681 2.095 -2.131 1.00 0.00 C ATOM 0 H TRP A 99 -4.148 3.929 2.397 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.429 6.586 1.190 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.013 4.195 0.229 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.373 5.794 -0.393 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.322 7.120 -1.614 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.315 6.237 -2.979 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.334 2.279 0.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.075 3.730 -3.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.658 0.668 -0.854 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.049 1.388 -2.496 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.639 7.639 2.015 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.824 8.192 2.727 1.00 0.00 C ATOM 1576 C LEU A 100 -8.081 7.833 1.936 1.00 0.00 C ATOM 1577 O LEU A 100 -8.095 7.887 0.722 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.701 9.711 2.840 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.225 10.112 2.826 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -5.094 11.591 3.188 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.450 9.276 3.847 1.00 0.00 C ATOM 0 H LEU A 100 -5.093 8.310 1.475 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.882 7.770 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.226 10.190 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.173 10.056 3.760 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.818 9.938 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.042 11.876 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.640 12.193 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.506 11.760 4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.399 9.566 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.860 9.446 4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.538 8.219 3.594 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.136 7.454 2.607 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.377 7.084 1.874 1.00 0.00 C ATOM 1595 C ALA A 101 -11.597 7.680 2.577 1.00 0.00 C ATOM 1596 O ALA A 101 -11.585 7.922 3.764 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.508 5.558 1.831 1.00 0.00 C ATOM 0 H ALA A 101 -9.191 7.386 3.623 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.323 7.477 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.417 5.286 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.644 5.133 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.557 5.168 2.848 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.653 7.919 1.847 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.875 8.498 2.466 1.00 0.00 C ATOM 1605 C GLU A 102 -15.093 7.657 2.076 1.00 0.00 C ATOM 1606 O GLU A 102 -15.425 7.539 0.915 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.064 9.933 1.961 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.310 10.546 2.600 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.576 11.919 1.985 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.751 12.368 1.204 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.602 12.497 2.297 1.00 0.00 O ATOM 0 H GLU A 102 -12.720 7.737 0.846 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.769 8.501 3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.187 10.533 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.161 9.937 0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.169 9.894 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.171 10.639 3.677 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.765 7.079 3.035 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.962 6.250 2.712 1.00 0.00 C ATOM 1621 C VAL A 103 -18.154 7.174 2.428 1.00 0.00 C ATOM 1622 O VAL A 103 -18.388 8.143 3.124 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.253 5.300 3.879 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.950 4.643 4.307 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.813 6.066 5.072 1.00 0.00 C ATOM 0 H VAL A 103 -15.537 7.145 4.027 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.778 5.647 1.823 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.983 4.558 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.141 3.963 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.532 4.084 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.242 5.410 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -18.012 5.372 5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.088 6.812 5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.739 6.562 4.783 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.879 6.903 1.377 1.00 0.00 N ATOM 1636 CA LYS A 104 -20.027 7.780 0.999 1.00 0.00 C ATOM 1637 C LYS A 104 -21.079 7.838 2.101 1.00 0.00 C ATOM 1638 O LYS A 104 -21.664 8.876 2.348 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.695 7.235 -0.267 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.721 6.343 -1.035 1.00 0.00 C ATOM 1641 CD LYS A 104 -18.380 7.059 -1.200 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.069 7.224 -2.687 1.00 0.00 C ATOM 1643 NZ LYS A 104 -19.218 7.896 -3.358 1.00 0.00 N ATOM 0 H LYS A 104 -18.725 6.106 0.759 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.631 8.782 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -21.587 6.668 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.020 8.061 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.578 5.403 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.134 6.096 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.414 8.034 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.589 6.488 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.161 7.813 -2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -17.885 6.251 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.863 8.532 -4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.839 7.179 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -19.755 8.447 -2.658 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.367 6.746 2.742 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.423 6.793 3.786 1.00 0.00 C ATOM 1659 C ASP A 105 -21.815 6.907 5.173 1.00 0.00 C ATOM 1660 O ASP A 105 -20.875 6.230 5.515 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.281 5.534 3.720 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.758 5.933 3.775 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.568 5.219 3.208 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.052 6.950 4.384 1.00 0.00 O ATOM 0 H ASP A 105 -20.927 5.838 2.594 1.00 0.00 H new ATOM 0 HA ASP A 105 -23.039 7.672 3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -23.073 4.985 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.039 4.870 4.550 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.374 7.752 5.983 1.00 0.00 N ATOM 1671 CA TYR A 106 -21.868 7.909 7.367 1.00 0.00 C ATOM 1672 C TYR A 106 -22.126 6.603 8.114 1.00 0.00 C ATOM 1673 O TYR A 106 -21.318 6.140 8.896 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.618 9.054 8.040 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.026 9.319 9.401 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -20.798 9.982 9.508 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -22.700 8.897 10.554 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -20.242 10.225 10.769 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -22.142 9.141 11.814 1.00 0.00 C ATOM 1680 CZ TYR A 106 -20.914 9.805 11.922 1.00 0.00 C ATOM 1681 OH TYR A 106 -20.366 10.044 13.164 1.00 0.00 O ATOM 0 H TYR A 106 -23.167 8.346 5.743 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.801 8.133 7.371 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.557 9.952 7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -23.675 8.803 8.135 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.280 10.306 8.618 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -23.647 8.385 10.471 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.294 10.737 10.852 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.660 8.817 12.705 1.00 0.00 H new ATOM 0 HH TYR A 106 -19.388 10.029 13.098 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.255 6.005 7.857 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.603 4.720 8.517 1.00 0.00 C ATOM 1693 C ASP A 107 -23.290 3.578 7.556 1.00 0.00 C ATOM 1694 O ASP A 107 -23.775 2.473 7.705 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.091 4.711 8.860 1.00 0.00 C ATOM 1696 CG ASP A 107 -25.371 5.795 9.898 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -24.421 6.278 10.490 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -26.530 6.128 10.080 1.00 0.00 O ATOM 0 H ASP A 107 -23.959 6.358 7.209 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.026 4.601 9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.685 4.887 7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.382 3.735 9.248 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.478 3.843 6.569 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.113 2.788 5.587 1.00 0.00 C ATOM 1706 C VAL A 108 -21.977 1.463 6.328 1.00 0.00 C ATOM 1707 O VAL A 108 -21.676 1.429 7.504 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.785 3.176 4.935 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.795 3.565 6.031 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.217 2.003 4.132 1.00 0.00 C ATOM 0 H VAL A 108 -22.050 4.753 6.401 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.876 2.687 4.815 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.950 4.013 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.843 3.844 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.190 4.410 6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.644 2.719 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.272 2.298 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.050 1.155 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.924 1.720 3.352 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.224 0.370 5.670 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.139 -0.934 6.367 1.00 0.00 C ATOM 1722 C GLU A 109 -20.708 -1.228 6.773 1.00 0.00 C ATOM 1723 O GLU A 109 -19.757 -0.874 6.104 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.661 -2.055 5.468 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.511 -2.986 5.074 1.00 0.00 C ATOM 1726 CD GLU A 109 -22.000 -3.973 4.015 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -21.164 -4.627 3.412 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -23.200 -4.059 3.822 1.00 0.00 O ATOM 0 H GLU A 109 -22.480 0.324 4.684 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.757 -0.881 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.435 -2.619 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.120 -1.632 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.674 -2.405 4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.148 -3.525 5.949 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.567 -1.888 7.874 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.224 -2.250 8.373 1.00 0.00 C ATOM 1738 C ILE A 110 -19.148 -3.759 8.567 1.00 0.00 C ATOM 1739 O ILE A 110 -19.824 -4.324 9.406 1.00 0.00 O ATOM 1740 CB ILE A 110 -18.979 -1.538 9.699 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.854 -0.033 9.443 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.695 -2.066 10.336 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.649 0.235 8.535 1.00 0.00 C ATOM 0 H ILE A 110 -21.340 -2.199 8.462 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.463 -1.946 7.654 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.812 -1.724 10.377 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.764 0.344 8.977 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.736 0.498 10.387 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.522 -1.555 11.283 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.791 -3.137 10.513 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.855 -1.883 9.667 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.561 1.306 8.354 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.742 -0.127 9.018 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.786 -0.284 7.586 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.324 -4.417 7.804 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.194 -5.887 7.949 1.00 0.00 C ATOM 1757 C ARG A 111 -16.842 -6.191 8.563 1.00 0.00 C ATOM 1758 O ARG A 111 -15.805 -5.938 7.979 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.319 -6.551 6.584 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.755 -6.366 6.095 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.875 -6.784 4.633 1.00 0.00 C ATOM 1762 NE ARG A 111 -19.444 -8.201 4.486 1.00 0.00 N ATOM 1763 CZ ARG A 111 -19.084 -8.653 3.316 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -19.135 -7.872 2.273 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -18.676 -9.884 3.192 1.00 0.00 N ATOM 0 H ARG A 111 -17.734 -3.997 7.085 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.983 -6.275 8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.617 -6.106 5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -18.074 -7.611 6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.434 -6.960 6.707 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.053 -5.324 6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.904 -6.669 4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.259 -6.138 4.007 1.00 0.00 H new ATOM 0 HE ARG A 111 -19.430 -8.818 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -19.456 -6.909 2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -18.854 -8.224 1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -18.638 -10.493 4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -18.394 -10.238 2.278 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.847 -6.709 9.750 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.570 -7.008 10.428 1.00 0.00 C ATOM 1781 C LEU A 112 -15.260 -8.495 10.303 1.00 0.00 C ATOM 1782 O LEU A 112 -16.114 -9.337 10.487 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.693 -6.640 11.904 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.321 -5.251 12.044 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.162 -4.771 13.486 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.635 -4.268 11.093 1.00 0.00 C ATOM 0 H LEU A 112 -17.686 -6.939 10.282 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.767 -6.432 9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.304 -7.379 12.422 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.710 -6.653 12.374 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.380 -5.305 11.790 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.608 -3.782 13.591 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.662 -5.468 14.159 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.103 -4.720 13.738 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.088 -3.282 11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.574 -4.208 11.335 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.753 -4.613 10.066 1.00 0.00 H new ATOM 1798 N SER A 113 -14.039 -8.823 10.012 1.00 0.00 N ATOM 1799 CA SER A 113 -13.666 -10.253 9.896 1.00 0.00 C ATOM 1800 C SER A 113 -13.220 -10.753 11.269 1.00 0.00 C ATOM 1801 O SER A 113 -13.050 -9.981 12.193 1.00 0.00 O ATOM 1802 CB SER A 113 -12.519 -10.400 8.894 1.00 0.00 C ATOM 1803 OG SER A 113 -11.302 -9.988 9.508 1.00 0.00 O ATOM 0 H SER A 113 -13.281 -8.161 9.849 1.00 0.00 H new ATOM 0 HA SER A 113 -14.518 -10.837 9.549 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.440 -11.436 8.563 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.715 -9.796 8.008 1.00 0.00 H new ATOM 0 HG SER A 113 -10.565 -10.083 8.869 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.028 -12.032 11.418 1.00 0.00 N ATOM 1810 CA HIS A 114 -12.593 -12.559 12.740 1.00 0.00 C ATOM 1811 C HIS A 114 -11.445 -11.694 13.265 1.00 0.00 C ATOM 1812 O HIS A 114 -11.290 -11.505 14.455 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.117 -14.006 12.579 1.00 0.00 C ATOM 1814 CG HIS A 114 -13.290 -14.877 12.215 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -13.567 -15.239 10.903 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -14.270 -15.463 12.981 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -14.675 -16.006 10.920 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -15.138 -16.170 12.158 1.00 0.00 N ATOM 0 H HIS A 114 -13.152 -12.732 10.687 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.425 -12.532 13.444 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.351 -14.065 11.806 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -11.662 -14.357 13.505 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -14.352 -15.386 14.055 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -15.131 -16.434 10.039 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -15.959 -16.704 12.443 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.649 -11.165 12.380 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.511 -10.304 12.810 1.00 0.00 C ATOM 1829 C GLU A 115 -10.025 -9.127 13.641 1.00 0.00 C ATOM 1830 O GLU A 115 -9.360 -8.658 14.543 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.794 -9.768 11.568 1.00 0.00 C ATOM 1832 CG GLU A 115 -7.584 -8.934 11.990 1.00 0.00 C ATOM 1833 CD GLU A 115 -6.532 -9.843 12.621 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -5.744 -9.347 13.404 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -6.535 -11.021 12.313 1.00 0.00 O ATOM 0 H GLU A 115 -10.737 -11.292 11.372 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.824 -10.894 13.416 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.474 -10.596 10.935 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.478 -9.160 10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.164 -8.420 11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.889 -8.166 12.700 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.199 -8.633 13.342 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.741 -7.474 14.113 1.00 0.00 C ATOM 1845 C HIS A 116 -13.087 -7.849 14.741 1.00 0.00 C ATOM 1846 O HIS A 116 -13.856 -8.597 14.172 1.00 0.00 O ATOM 1847 CB HIS A 116 -11.923 -6.282 13.170 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.575 -5.814 12.687 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -10.058 -6.191 11.453 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -9.628 -4.996 13.253 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.851 -5.606 11.322 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.545 -4.868 12.391 1.00 0.00 N ATOM 0 H HIS A 116 -11.805 -8.981 12.599 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.043 -7.208 14.907 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.546 -6.567 12.322 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.438 -5.472 13.686 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -9.712 -4.524 14.221 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.211 -5.720 10.459 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -7.695 -4.325 12.543 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.376 -7.342 15.915 1.00 0.00 N ATOM 1862 CA GLN A 117 -14.669 -7.683 16.576 1.00 0.00 C ATOM 1863 C GLN A 117 -15.587 -6.453 16.637 1.00 0.00 C ATOM 1864 O GLN A 117 -16.795 -6.579 16.623 1.00 0.00 O ATOM 1865 CB GLN A 117 -14.404 -8.198 17.997 1.00 0.00 C ATOM 1866 CG GLN A 117 -13.841 -7.067 18.867 1.00 0.00 C ATOM 1867 CD GLN A 117 -13.522 -7.607 20.266 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -12.431 -8.071 20.516 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -14.439 -7.569 21.192 1.00 0.00 N ATOM 0 H GLN A 117 -12.773 -6.709 16.441 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.163 -8.459 15.991 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -15.328 -8.578 18.433 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.700 -9.030 17.966 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.940 -6.657 18.410 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.563 -6.253 18.936 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -15.358 -7.179 20.984 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -14.237 -7.929 22.125 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.040 -5.265 16.710 1.00 0.00 N ATOM 1879 CA ALA A 118 -15.918 -4.056 16.775 1.00 0.00 C ATOM 1880 C ALA A 118 -15.208 -2.838 16.172 1.00 0.00 C ATOM 1881 O ALA A 118 -13.995 -2.768 16.129 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.276 -3.764 18.231 1.00 0.00 C ATOM 0 H ALA A 118 -14.037 -5.081 16.727 1.00 0.00 H new ATOM 0 HA ALA A 118 -16.824 -4.253 16.201 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -16.916 -2.883 18.279 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.803 -4.619 18.654 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.365 -3.582 18.800 1.00 0.00 H new ATOM 1888 N TYR A 119 -15.964 -1.875 15.711 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.354 -0.655 15.109 1.00 0.00 C ATOM 1890 C TYR A 119 -16.028 0.597 15.680 1.00 0.00 C ATOM 1891 O TYR A 119 -17.128 0.540 16.195 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.567 -0.680 13.597 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.026 -0.452 13.297 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.908 -1.538 13.260 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.499 0.844 13.057 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.261 -1.329 12.983 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.856 1.053 12.781 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.737 -0.033 12.744 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.074 0.176 12.472 1.00 0.00 O ATOM 0 H TYR A 119 -16.984 -1.883 15.727 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.289 -0.636 15.339 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.961 0.090 13.120 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.245 -1.638 13.188 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.543 -2.537 13.446 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.818 1.682 13.085 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -19.941 -2.167 12.953 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.222 2.052 12.597 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.234 1.133 12.332 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.383 1.732 15.578 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.998 2.990 16.098 1.00 0.00 C ATOM 1911 C ARG A 120 -15.669 4.153 15.163 1.00 0.00 C ATOM 1912 O ARG A 120 -14.615 4.199 14.561 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.436 3.322 17.486 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.819 2.234 18.485 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.390 2.666 19.891 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.515 1.509 20.821 1.00 0.00 N ATOM 1917 CZ ARG A 120 -15.487 1.695 22.111 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -15.341 2.896 22.596 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.607 0.674 22.916 1.00 0.00 N ATOM 0 H ARG A 120 -14.460 1.841 15.158 1.00 0.00 H new ATOM 0 HA ARG A 120 -17.076 2.843 16.158 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.351 3.413 17.435 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.821 4.285 17.821 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.895 2.061 18.457 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.338 1.293 18.218 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.361 3.025 19.875 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -16.011 3.493 20.235 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.623 0.566 20.447 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -15.248 3.693 21.966 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -15.319 3.039 23.606 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.722 -0.265 22.535 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.586 0.816 23.926 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.547 5.112 15.072 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.270 6.297 14.217 1.00 0.00 C ATOM 1935 C TRP A 121 -15.898 7.456 15.145 1.00 0.00 C ATOM 1936 O TRP A 121 -16.727 7.983 15.857 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.513 6.651 13.395 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.589 5.746 12.208 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.336 4.621 12.124 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.901 5.878 10.935 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -18.143 4.049 10.879 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.271 4.793 10.107 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -16.004 6.832 10.422 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.758 4.653 8.819 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.488 6.695 9.126 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.867 5.609 8.325 1.00 0.00 C ATOM 0 H TRP A 121 -17.446 5.125 15.554 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.456 6.090 13.522 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.410 6.546 14.006 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.467 7.691 13.072 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.978 4.233 12.901 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.589 3.185 10.569 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.711 7.675 11.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -17.047 3.811 8.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.795 7.430 8.743 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.470 5.511 7.325 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.648 7.826 15.173 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.218 8.914 16.096 1.00 0.00 C ATOM 1959 C LEU A 122 -13.415 9.970 15.347 1.00 0.00 C ATOM 1960 O LEU A 122 -13.121 9.834 14.178 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.327 8.344 17.199 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.685 6.881 17.477 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.601 5.971 16.892 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.778 6.662 18.989 1.00 0.00 C ATOM 0 H LEU A 122 -13.907 7.424 14.599 1.00 0.00 H new ATOM 0 HA LEU A 122 -15.116 9.362 16.521 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.280 8.418 16.904 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.444 8.932 18.109 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.643 6.644 17.015 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.855 4.929 17.089 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.534 6.131 15.816 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.642 6.204 17.354 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -14.033 5.622 19.191 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.819 6.897 19.450 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.549 7.311 19.404 1.00 0.00 H new ATOM 1976 N GLY A 123 -13.049 11.022 16.032 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.250 12.094 15.389 1.00 0.00 C ATOM 1978 C GLY A 123 -10.768 11.723 15.463 1.00 0.00 C ATOM 1979 O GLY A 123 -10.405 10.668 15.943 1.00 0.00 O ATOM 0 H GLY A 123 -13.273 11.181 17.014 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.555 12.219 14.350 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.425 13.046 15.890 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.911 12.581 14.985 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.454 12.286 15.019 1.00 0.00 C ATOM 1985 C LEU A 124 -7.984 12.059 16.458 1.00 0.00 C ATOM 1986 O LEU A 124 -7.174 11.195 16.723 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.700 13.478 14.426 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.188 13.269 14.545 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.807 11.881 14.030 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.476 14.330 13.703 1.00 0.00 C ATOM 0 H LEU A 124 -10.160 13.479 14.570 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.258 11.382 14.442 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.974 13.605 13.379 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.989 14.393 14.944 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.892 13.354 15.591 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.729 11.743 14.119 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.320 11.121 14.619 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.099 11.788 12.984 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.398 14.192 13.780 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.781 14.233 12.661 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.741 15.322 14.068 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.459 12.845 17.386 1.00 0.00 N ATOM 2003 CA GLU A 125 -7.997 12.686 18.794 1.00 0.00 C ATOM 2004 C GLU A 125 -8.291 11.275 19.325 1.00 0.00 C ATOM 2005 O GLU A 125 -7.391 10.586 19.754 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.685 13.722 19.687 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.137 13.917 19.244 1.00 0.00 C ATOM 2008 CD GLU A 125 -10.797 14.979 20.125 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -10.159 15.417 21.069 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -11.927 15.337 19.838 1.00 0.00 O ATOM 0 H GLU A 125 -9.143 13.586 17.231 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.918 12.840 18.812 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.655 13.395 20.726 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.150 14.670 19.635 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.172 14.223 18.198 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.682 12.976 19.319 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.524 10.825 19.307 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.796 9.453 19.833 1.00 0.00 C ATOM 2020 C GLU A 126 -9.109 8.446 18.934 1.00 0.00 C ATOM 2021 O GLU A 126 -8.504 7.491 19.384 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.290 9.143 19.821 1.00 0.00 C ATOM 2023 CG GLU A 126 -12.103 10.429 19.904 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.624 11.266 21.088 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.990 12.426 21.149 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -10.898 10.733 21.908 1.00 0.00 O ATOM 0 H GLU A 126 -10.335 11.336 18.959 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.427 9.399 20.857 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.548 8.601 18.911 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.539 8.493 20.660 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.999 10.997 18.979 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -13.162 10.195 20.017 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.188 8.660 17.657 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.532 7.734 16.717 1.00 0.00 C ATOM 2036 C ALA A 127 -7.054 7.697 17.083 1.00 0.00 C ATOM 2037 O ALA A 127 -6.370 6.716 16.872 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.731 8.245 15.289 1.00 0.00 C ATOM 0 H ALA A 127 -9.682 9.441 17.226 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.954 6.731 16.776 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.248 7.564 14.588 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.797 8.298 15.067 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.290 9.237 15.193 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.567 8.768 17.656 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.142 8.812 18.072 1.00 0.00 C ATOM 2046 C CYS A 128 -4.969 8.009 19.363 1.00 0.00 C ATOM 2047 O CYS A 128 -4.164 7.100 19.429 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.730 10.263 18.316 1.00 0.00 C ATOM 2049 SG CYS A 128 -3.985 10.413 19.957 1.00 0.00 S ATOM 0 H CYS A 128 -7.101 9.615 17.852 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.517 8.384 17.288 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -4.021 10.584 17.553 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.599 10.916 18.239 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.633 11.647 20.163 1.00 0.00 H new ATOM 2055 N GLN A 129 -5.713 8.323 20.399 1.00 0.00 N ATOM 2056 CA GLN A 129 -5.554 7.536 21.658 1.00 0.00 C ATOM 2057 C GLN A 129 -5.849 6.080 21.333 1.00 0.00 C ATOM 2058 O GLN A 129 -5.095 5.190 21.674 1.00 0.00 O ATOM 2059 CB GLN A 129 -6.502 7.985 22.785 1.00 0.00 C ATOM 2060 CG GLN A 129 -7.470 9.072 22.335 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.882 8.545 22.560 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -9.728 9.225 23.105 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.165 7.342 22.155 1.00 0.00 N ATOM 0 H GLN A 129 -6.406 9.071 20.426 1.00 0.00 H new ATOM 0 HA GLN A 129 -4.537 7.690 22.019 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -7.068 7.125 23.144 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -5.913 8.352 23.626 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -7.308 9.989 22.901 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.314 9.314 21.284 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -8.450 6.776 21.698 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.102 6.964 22.294 1.00 0.00 H new ATOM 2072 N LEU A 130 -6.936 5.825 20.649 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.254 4.419 20.280 1.00 0.00 C ATOM 2074 C LEU A 130 -6.077 3.874 19.482 1.00 0.00 C ATOM 2075 O LEU A 130 -5.567 2.804 19.745 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.513 4.388 19.408 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.727 4.839 20.221 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.809 5.324 19.262 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.276 3.665 21.036 1.00 0.00 C ATOM 0 H LEU A 130 -7.609 6.524 20.334 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.428 3.820 21.174 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.382 5.039 18.544 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.675 3.380 19.026 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.432 5.641 20.898 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.680 5.648 19.831 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.427 6.159 18.675 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -11.094 4.511 18.594 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.140 3.995 21.612 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.574 2.862 20.362 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.505 3.301 21.715 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.624 4.634 18.524 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.456 4.206 17.713 1.00 0.00 C ATOM 2093 C ALA A 131 -3.192 4.517 18.510 1.00 0.00 C ATOM 2094 O ALA A 131 -2.291 5.178 18.038 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.450 4.973 16.393 1.00 0.00 C ATOM 0 H ALA A 131 -6.018 5.540 18.268 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.505 3.139 17.494 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.594 4.661 15.795 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.370 4.764 15.847 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.382 6.042 16.594 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.141 4.053 19.726 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.973 4.315 20.611 1.00 0.00 C ATOM 2103 C GLN A 132 -0.672 4.292 19.808 1.00 0.00 C ATOM 2104 O GLN A 132 0.253 5.023 20.097 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.892 3.230 21.691 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.994 2.179 21.485 1.00 0.00 C ATOM 2107 CD GLN A 132 -4.260 2.581 22.253 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -5.348 2.188 21.889 1.00 0.00 O ATOM 2109 NE2 GLN A 132 -4.166 3.345 23.307 1.00 0.00 N ATOM 0 H GLN A 132 -3.877 3.490 20.153 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.103 5.297 21.065 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.914 2.750 21.660 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.993 3.683 22.677 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.220 2.081 20.423 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.646 1.205 21.828 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -3.253 3.677 23.616 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -5.006 3.610 23.822 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.578 3.453 18.820 1.00 0.00 N ATOM 2119 CA PHE A 133 0.683 3.390 18.031 1.00 0.00 C ATOM 2120 C PHE A 133 0.965 4.750 17.393 1.00 0.00 C ATOM 2121 O PHE A 133 0.134 5.319 16.714 1.00 0.00 O ATOM 2122 CB PHE A 133 0.543 2.320 16.949 1.00 0.00 C ATOM 2123 CG PHE A 133 0.447 0.971 17.616 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -0.794 0.496 18.055 1.00 0.00 C ATOM 2125 CD2 PHE A 133 1.600 0.205 17.816 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.883 -0.748 18.689 1.00 0.00 C ATOM 2127 CE2 PHE A 133 1.510 -1.040 18.451 1.00 0.00 C ATOM 2128 CZ PHE A 133 0.268 -1.518 18.886 1.00 0.00 C ATOM 0 H PHE A 133 -1.313 2.811 18.524 1.00 0.00 H new ATOM 0 HA PHE A 133 1.515 3.134 18.688 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.345 2.507 16.345 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.399 2.349 16.275 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.683 1.090 17.904 1.00 0.00 H new ATOM 0 HD2 PHE A 133 2.559 0.573 17.481 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.841 -1.114 19.027 1.00 0.00 H new ATOM 0 HE2 PHE A 133 2.400 -1.632 18.605 1.00 0.00 H new ATOM 0 HZ PHE A 133 0.199 -2.480 19.373 1.00 0.00 H new ATOM 2138 N LYS A 134 2.139 5.272 17.618 1.00 0.00 N ATOM 2139 CA LYS A 134 2.499 6.597 17.043 1.00 0.00 C ATOM 2140 C LYS A 134 2.375 6.561 15.517 1.00 0.00 C ATOM 2141 O LYS A 134 1.951 7.513 14.896 1.00 0.00 O ATOM 2142 CB LYS A 134 3.941 6.925 17.423 1.00 0.00 C ATOM 2143 CG LYS A 134 4.320 8.287 16.847 1.00 0.00 C ATOM 2144 CD LYS A 134 5.773 8.606 17.204 1.00 0.00 C ATOM 2145 CE LYS A 134 6.143 9.973 16.634 1.00 0.00 C ATOM 2146 NZ LYS A 134 6.231 10.963 17.744 1.00 0.00 N ATOM 0 H LYS A 134 2.869 4.834 18.180 1.00 0.00 H new ATOM 0 HA LYS A 134 1.823 7.357 17.436 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.050 6.933 18.508 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.613 6.157 17.041 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.193 8.284 15.764 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.659 9.058 17.244 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.903 8.603 18.286 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.435 7.840 16.801 1.00 0.00 H new ATOM 0 HE2 LYS A 134 7.096 9.914 16.108 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.396 10.291 15.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 6.483 11.895 17.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.312 11.025 18.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 6.959 10.661 18.422 1.00 0.00 H new ATOM 2160 N GLU A 135 2.752 5.474 14.918 1.00 0.00 N ATOM 2161 CA GLU A 135 2.677 5.367 13.436 1.00 0.00 C ATOM 2162 C GLU A 135 1.264 5.710 12.984 1.00 0.00 C ATOM 2163 O GLU A 135 1.054 6.403 12.011 1.00 0.00 O ATOM 2164 CB GLU A 135 2.977 3.923 13.043 1.00 0.00 C ATOM 2165 CG GLU A 135 4.113 3.399 13.916 1.00 0.00 C ATOM 2166 CD GLU A 135 4.433 1.957 13.531 1.00 0.00 C ATOM 2167 OE1 GLU A 135 3.703 1.406 12.726 1.00 0.00 O ATOM 2168 OE2 GLU A 135 5.398 1.424 14.053 1.00 0.00 O ATOM 0 H GLU A 135 3.112 4.646 15.393 1.00 0.00 H new ATOM 0 HA GLU A 135 3.391 6.048 12.973 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.088 3.305 13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.255 3.869 11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.998 4.024 13.792 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.830 3.451 14.967 1.00 0.00 H new ATOM 2176 N MET A 136 0.294 5.217 13.693 1.00 0.00 N ATOM 2177 CA MET A 136 -1.113 5.487 13.321 1.00 0.00 C ATOM 2178 C MET A 136 -1.515 6.878 13.800 1.00 0.00 C ATOM 2179 O MET A 136 -2.014 7.682 13.038 1.00 0.00 O ATOM 2180 CB MET A 136 -1.983 4.436 13.986 1.00 0.00 C ATOM 2181 CG MET A 136 -1.427 3.050 13.662 1.00 0.00 C ATOM 2182 SD MET A 136 -1.153 2.900 11.879 1.00 0.00 S ATOM 2183 CE MET A 136 -2.796 3.425 11.320 1.00 0.00 C ATOM 0 H MET A 136 0.418 4.634 14.521 1.00 0.00 H new ATOM 0 HA MET A 136 -1.236 5.447 12.239 1.00 0.00 H new ATOM 0 HB2 MET A 136 -2.002 4.591 15.065 1.00 0.00 H new ATOM 0 HB3 MET A 136 -3.011 4.521 13.634 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.491 2.889 14.198 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.123 2.281 13.998 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.035 2.931 10.378 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.539 3.155 12.070 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.803 4.505 11.175 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.277 7.183 15.044 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.626 8.539 15.523 1.00 0.00 C ATOM 2195 C LYS A 137 -1.005 9.520 14.543 1.00 0.00 C ATOM 2196 O LYS A 137 -1.532 10.583 14.289 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.060 8.756 16.930 1.00 0.00 C ATOM 2198 CG LYS A 137 -1.994 8.099 17.949 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.190 7.274 18.955 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.389 8.183 19.890 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.381 9.574 19.365 1.00 0.00 N ATOM 0 H LYS A 137 -0.862 6.560 15.737 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.706 8.676 15.577 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.061 8.327 17.004 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -0.966 9.822 17.138 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.567 8.864 18.472 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.711 7.459 17.435 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.864 6.648 19.539 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.513 6.605 18.424 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -0.825 8.165 20.889 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.633 7.814 19.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.031 10.211 20.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.187 9.613 18.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -1.355 9.872 19.156 1.00 0.00 H new ATOM 2215 N ALA A 138 0.106 9.136 13.971 1.00 0.00 N ATOM 2216 CA ALA A 138 0.787 9.996 12.968 1.00 0.00 C ATOM 2217 C ALA A 138 0.082 9.845 11.613 1.00 0.00 C ATOM 2218 O ALA A 138 -0.277 10.813 10.972 1.00 0.00 O ATOM 2219 CB ALA A 138 2.239 9.551 12.831 1.00 0.00 C ATOM 0 H ALA A 138 0.574 8.250 14.161 1.00 0.00 H new ATOM 0 HA ALA A 138 0.750 11.037 13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.744 10.178 12.096 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.741 9.645 13.794 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.272 8.512 12.504 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.119 8.625 11.174 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.800 8.397 9.864 1.00 0.00 C ATOM 2227 C ALA A 139 -2.144 9.106 9.887 1.00 0.00 C ATOM 2228 O ALA A 139 -2.466 9.885 9.013 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.020 6.898 9.663 1.00 0.00 C ATOM 0 H ALA A 139 0.160 7.778 11.669 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.187 8.784 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.517 6.728 8.708 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.058 6.385 9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.642 6.510 10.470 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.918 8.856 10.901 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.229 9.533 11.015 1.00 0.00 C ATOM 2237 C LEU A 140 -3.954 11.028 11.119 1.00 0.00 C ATOM 2238 O LEU A 140 -4.737 11.857 10.697 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.928 9.049 12.289 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.996 7.520 12.286 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.875 7.000 13.719 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.332 7.066 11.695 1.00 0.00 C ATOM 0 H LEU A 140 -2.696 8.209 11.658 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.865 9.316 10.157 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.386 9.398 13.168 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.933 9.468 12.347 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.178 7.125 11.683 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.924 5.911 13.716 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.923 7.320 14.143 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.692 7.398 14.321 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.378 5.977 11.694 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.150 7.463 12.296 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.422 7.434 10.673 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.832 11.363 11.697 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.452 12.790 11.872 1.00 0.00 C ATOM 2256 C GLN A 141 -2.081 13.419 10.529 1.00 0.00 C ATOM 2257 O GLN A 141 -2.611 14.444 10.150 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.233 12.844 12.787 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.623 13.408 14.149 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.691 14.930 14.063 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -1.092 15.620 14.860 1.00 0.00 O ATOM 2262 NE2 GLN A 141 -2.389 15.488 13.117 1.00 0.00 N ATOM 0 H GLN A 141 -2.153 10.695 12.061 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.293 13.338 12.296 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.813 11.845 12.905 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.458 13.464 12.337 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.588 13.006 14.459 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.895 13.107 14.902 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.893 14.909 12.446 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.432 16.505 13.047 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.172 12.821 9.802 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.786 13.411 8.489 1.00 0.00 C ATOM 2273 C GLU A 142 -1.966 13.297 7.530 1.00 0.00 C ATOM 2274 O GLU A 142 -2.229 14.187 6.746 1.00 0.00 O ATOM 2275 CB GLU A 142 0.421 12.669 7.916 1.00 0.00 C ATOM 2276 CG GLU A 142 1.627 12.866 8.834 1.00 0.00 C ATOM 2277 CD GLU A 142 2.011 14.349 8.860 1.00 0.00 C ATOM 2278 OE1 GLU A 142 2.631 14.764 9.824 1.00 0.00 O ATOM 2279 OE2 GLU A 142 1.689 15.040 7.908 1.00 0.00 O ATOM 0 H GLU A 142 -0.687 11.961 10.058 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.519 14.459 8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.195 11.607 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.648 13.040 6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.391 12.523 9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 142 2.467 12.268 8.482 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.690 12.211 7.590 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.859 12.059 6.683 1.00 0.00 C ATOM 2289 C GLY A 143 -4.801 13.239 6.907 1.00 0.00 C ATOM 2290 O GLY A 143 -5.245 13.878 5.973 1.00 0.00 O ATOM 0 H GLY A 143 -2.522 11.429 8.224 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.531 12.028 5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.374 11.119 6.883 1.00 0.00 H new ATOM 2294 N HIS A 144 -5.091 13.551 8.143 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.983 14.706 8.430 1.00 0.00 C ATOM 2296 C HIS A 144 -5.296 15.984 7.952 1.00 0.00 C ATOM 2297 O HIS A 144 -5.905 16.859 7.366 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.224 14.812 9.937 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.383 15.733 10.194 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -7.215 17.091 10.425 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -8.736 15.503 10.270 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -8.436 17.623 10.627 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -9.393 16.698 10.545 1.00 0.00 N ATOM 0 H HIS A 144 -4.747 13.054 8.965 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.935 14.568 7.918 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.430 13.826 10.354 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.330 15.188 10.434 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -6.328 17.595 10.439 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -9.214 14.544 10.137 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -8.617 18.668 10.830 1.00 0.00 H new ATOM 2312 N GLN A 145 -4.025 16.089 8.222 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.255 17.298 7.817 1.00 0.00 C ATOM 2314 C GLN A 145 -3.241 17.441 6.293 1.00 0.00 C ATOM 2315 O GLN A 145 -3.389 18.524 5.759 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.819 17.146 8.321 1.00 0.00 C ATOM 2317 CG GLN A 145 -1.048 18.448 8.103 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.555 19.514 9.074 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.399 19.384 10.272 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -2.156 20.573 8.604 1.00 0.00 N ATOM 0 H GLN A 145 -3.480 15.380 8.712 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.723 18.185 8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.822 16.888 9.380 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.325 16.329 7.796 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.018 18.281 8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -1.173 18.789 7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -2.286 20.681 7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -2.495 21.292 9.243 1.00 0.00 H new ATOM 2329 N PHE A 146 -3.044 16.361 5.591 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.992 16.435 4.104 1.00 0.00 C ATOM 2331 C PHE A 146 -4.359 16.809 3.527 1.00 0.00 C ATOM 2332 O PHE A 146 -4.476 17.721 2.732 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.568 15.072 3.553 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.477 15.150 2.048 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.647 15.136 1.283 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.229 15.243 1.423 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.573 15.214 -0.110 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.153 15.321 0.027 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.327 15.307 -0.739 1.00 0.00 C ATOM 0 H PHE A 146 -2.916 15.428 5.983 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.274 17.203 3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.605 14.781 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.288 14.308 3.846 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.609 15.065 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.326 15.255 2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.477 15.203 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.191 15.392 -0.459 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.269 15.368 -1.816 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.395 16.105 3.897 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.741 16.417 3.340 1.00 0.00 C ATOM 2351 C LEU A 147 -7.081 17.886 3.589 1.00 0.00 C ATOM 2352 O LEU A 147 -7.643 18.554 2.741 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.790 15.513 3.994 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.460 14.053 3.677 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.495 13.141 4.328 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.493 13.830 2.163 1.00 0.00 C ATOM 0 H LEU A 147 -5.367 15.330 4.559 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.737 16.237 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.802 15.670 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.785 15.763 3.624 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.466 13.824 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.258 12.102 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.482 13.289 5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.485 13.380 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.257 12.789 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.487 14.065 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.758 14.477 1.684 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.735 18.406 4.731 1.00 0.00 N ATOM 2369 CA CYS A 148 -7.029 19.840 5.004 1.00 0.00 C ATOM 2370 C CYS A 148 -6.152 20.693 4.092 1.00 0.00 C ATOM 2371 O CYS A 148 -6.327 21.891 3.977 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.720 20.169 6.469 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.896 19.317 7.548 1.00 0.00 S ATOM 0 H CYS A 148 -6.264 17.905 5.484 1.00 0.00 H new ATOM 0 HA CYS A 148 -8.083 20.045 4.815 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.702 19.865 6.713 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.778 21.245 6.630 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.458 18.121 7.808 1.00 0.00 H new ATOM 2379 N SER A 149 -5.195 20.077 3.454 1.00 0.00 N ATOM 2380 CA SER A 149 -4.276 20.824 2.551 1.00 0.00 C ATOM 2381 C SER A 149 -4.841 20.861 1.135 1.00 0.00 C ATOM 2382 O SER A 149 -4.380 21.610 0.297 1.00 0.00 O ATOM 2383 CB SER A 149 -2.928 20.105 2.511 1.00 0.00 C ATOM 2384 OG SER A 149 -1.882 21.058 2.630 1.00 0.00 O ATOM 0 H SER A 149 -5.009 19.076 3.521 1.00 0.00 H new ATOM 0 HA SER A 149 -4.163 21.842 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 149 -2.867 19.378 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.826 19.551 1.578 1.00 0.00 H new ATOM 0 HG SER A 149 -1.017 20.599 2.606 1.00 0.00 H new ATOM 2390 N ILE A 150 -5.816 20.048 0.850 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.380 20.032 -0.526 1.00 0.00 C ATOM 2392 C ILE A 150 -7.318 21.220 -0.721 1.00 0.00 C ATOM 2393 O ILE A 150 -6.955 22.362 -0.519 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.169 18.742 -0.747 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.499 17.580 -0.018 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.214 18.429 -2.240 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.405 16.348 -0.100 1.00 0.00 C ATOM 0 H ILE A 150 -6.246 19.396 1.507 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.558 20.092 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.179 18.875 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.529 17.364 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.317 17.844 1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.776 17.509 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.699 19.249 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.199 18.305 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -6.933 15.514 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.364 16.570 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.564 16.082 -1.145 1.00 0.00 H new