USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 794 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -18:sc= 0.0919 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.7) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.142) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0647 X(o=-0.065,f=-0.52) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.787 K(o=-0.79,f=-3.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -103:sc= 0.838 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.577 USER MOD Single : A 59 GLN : amide:sc= -8.01! C(o=-8!,f=-14!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.297 K(o=-0.3,f=-2.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.44 USER MOD Single : A 77 SER OG : rot 140:sc= -0.371 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 152:sc= -0.09 (180deg=-0.645) USER MOD Single : A 86 THR OG1 : rot 82:sc= 1.14 USER MOD Single : A 88 LYS NZ :NH3+ 140:sc= -0.558 (180deg=-3.64!) USER MOD Single : A 97 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.2) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0687 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 108 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.21) USER MOD Single : A 109 MET CE :methyl -149:sc= -0.123 (180deg=-0.162) USER MOD Single : A 110 TYR OH : rot -30:sc= -0.341 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ASP A 8 -4.820 9.277 2.761 1.00 12.22 N ATOM 78 CA ASP A 8 -5.134 7.864 2.592 1.00 31.21 C ATOM 79 C ASP A 8 -4.177 6.993 3.400 1.00 4.55 C ATOM 80 O ASP A 8 -4.548 5.921 3.877 1.00 55.30 O ATOM 81 CB ASP A 8 -5.068 7.478 1.113 1.00 2.23 C ATOM 82 CG ASP A 8 -6.338 7.831 0.365 1.00 23.23 C ATOM 83 OD1 ASP A 8 -7.384 8.010 1.023 1.00 11.24 O ATOM 84 OD2 ASP A 8 -6.287 7.930 -0.879 1.00 63.21 O ATOM 0 HA ASP A 8 -6.147 7.697 2.959 1.00 31.21 H new ATOM 0 HB2 ASP A 8 -4.223 7.983 0.646 1.00 2.23 H new ATOM 0 HB3 ASP A 8 -4.886 6.407 1.028 1.00 2.23 H new ATOM 89 N TRP A 9 -2.943 7.462 3.550 1.00 51.02 N ATOM 90 CA TRP A 9 -1.932 6.726 4.300 1.00 42.13 C ATOM 91 C TRP A 9 -2.338 6.578 5.762 1.00 12.44 C ATOM 92 O TRP A 9 -2.398 5.468 6.291 1.00 12.24 O ATOM 93 CB TRP A 9 -0.580 7.435 4.203 1.00 71.15 C ATOM 94 CG TRP A 9 0.448 6.884 5.145 1.00 44.34 C ATOM 95 CD1 TRP A 9 0.667 7.272 6.436 1.00 33.14 C ATOM 96 CD2 TRP A 9 1.397 5.849 4.868 1.00 2.20 C ATOM 97 NE1 TRP A 9 1.695 6.539 6.979 1.00 13.13 N ATOM 98 CE2 TRP A 9 2.159 5.659 6.038 1.00 32.32 C ATOM 99 CE3 TRP A 9 1.676 5.062 3.747 1.00 21.44 C ATOM 100 CZ2 TRP A 9 3.180 4.716 6.115 1.00 25.12 C ATOM 101 CZ3 TRP A 9 2.690 4.127 3.826 1.00 42.04 C ATOM 102 CH2 TRP A 9 3.432 3.959 5.002 1.00 5.55 C ATOM 0 H TRP A 9 -2.619 8.348 3.162 1.00 51.02 H new ATOM 0 HA TRP A 9 -1.845 5.731 3.864 1.00 42.13 H new ATOM 0 HB2 TRP A 9 -0.207 7.354 3.182 1.00 71.15 H new ATOM 0 HB3 TRP A 9 -0.719 8.496 4.408 1.00 71.15 H new ATOM 0 HD1 TRP A 9 0.114 8.042 6.954 1.00 33.14 H new ATOM 0 HE1 TRP A 9 2.054 6.635 7.929 1.00 13.13 H new ATOM 0 HE3 TRP A 9 1.109 5.183 2.836 1.00 21.44 H new ATOM 0 HZ2 TRP A 9 3.753 4.586 7.021 1.00 25.12 H new ATOM 0 HZ3 TRP A 9 2.915 3.514 2.965 1.00 42.04 H new ATOM 0 HH2 TRP A 9 4.218 3.219 5.032 1.00 5.55 H new ATOM 113 N LYS A 10 -2.618 7.704 6.411 1.00 65.14 N ATOM 114 CA LYS A 10 -3.021 7.700 7.812 1.00 3.11 C ATOM 115 C LYS A 10 -4.342 6.962 7.996 1.00 11.23 C ATOM 116 O LYS A 10 -4.485 6.141 8.901 1.00 41.24 O ATOM 117 CB LYS A 10 -3.147 9.134 8.331 1.00 54.00 C ATOM 118 CG LYS A 10 -2.797 9.282 9.802 1.00 43.34 C ATOM 119 CD LYS A 10 -3.748 10.232 10.509 1.00 42.41 C ATOM 120 CE LYS A 10 -3.139 10.777 11.791 1.00 3.52 C ATOM 121 NZ LYS A 10 -3.999 11.823 12.413 1.00 20.33 N ATOM 0 H LYS A 10 -2.573 8.631 5.988 1.00 65.14 H new ATOM 0 HA LYS A 10 -2.253 7.180 8.384 1.00 3.11 H new ATOM 0 HB2 LYS A 10 -2.496 9.782 7.744 1.00 54.00 H new ATOM 0 HB3 LYS A 10 -4.168 9.480 8.173 1.00 54.00 H new ATOM 0 HG2 LYS A 10 -2.831 8.305 10.285 1.00 43.34 H new ATOM 0 HG3 LYS A 10 -1.775 9.650 9.899 1.00 43.34 H new ATOM 0 HD2 LYS A 10 -4.000 11.058 9.844 1.00 42.41 H new ATOM 0 HD3 LYS A 10 -4.679 9.713 10.739 1.00 42.41 H new ATOM 0 HE2 LYS A 10 -2.991 9.961 12.498 1.00 3.52 H new ATOM 0 HE3 LYS A 10 -2.156 11.196 11.577 1.00 3.52 H new ATOM 0 HZ1 LYS A 10 -3.549 12.169 13.284 1.00 20.33 H new ATOM 0 HZ2 LYS A 10 -4.120 12.614 11.748 1.00 20.33 H new ATOM 0 HZ3 LYS A 10 -4.929 11.417 12.641 1.00 20.33 H new ATOM 135 N MET A 11 -5.306 7.260 7.131 1.00 12.11 N ATOM 136 CA MET A 11 -6.616 6.623 7.197 1.00 60.22 C ATOM 137 C MET A 11 -6.503 5.120 6.955 1.00 1.55 C ATOM 138 O MET A 11 -7.292 4.337 7.481 1.00 21.12 O ATOM 139 CB MET A 11 -7.563 7.246 6.170 1.00 53.25 C ATOM 140 CG MET A 11 -8.286 8.481 6.681 1.00 3.42 C ATOM 141 SD MET A 11 -10.004 8.151 7.117 1.00 52.43 S ATOM 142 CE MET A 11 -10.768 9.715 6.692 1.00 3.10 C ATOM 0 H MET A 11 -5.205 7.939 6.376 1.00 12.11 H new ATOM 0 HA MET A 11 -7.020 6.783 8.197 1.00 60.22 H new ATOM 0 HB2 MET A 11 -6.995 7.511 5.278 1.00 53.25 H new ATOM 0 HB3 MET A 11 -8.300 6.502 5.869 1.00 53.25 H new ATOM 0 HG2 MET A 11 -7.762 8.868 7.555 1.00 3.42 H new ATOM 0 HG3 MET A 11 -8.252 9.259 5.918 1.00 3.42 H new ATOM 0 HE1 MET A 11 -11.836 9.668 6.906 1.00 3.10 H new ATOM 0 HE2 MET A 11 -10.315 10.513 7.280 1.00 3.10 H new ATOM 0 HE3 MET A 11 -10.619 9.916 5.631 1.00 3.10 H new ATOM 152 N ALA A 12 -5.516 4.728 6.155 1.00 33.34 N ATOM 153 CA ALA A 12 -5.299 3.320 5.846 1.00 54.21 C ATOM 154 C ALA A 12 -4.865 2.546 7.086 1.00 72.45 C ATOM 155 O ALA A 12 -5.477 1.540 7.447 1.00 71.54 O ATOM 156 CB ALA A 12 -4.263 3.177 4.742 1.00 70.13 C ATOM 0 H ALA A 12 -4.855 5.365 5.710 1.00 33.34 H new ATOM 0 HA ALA A 12 -6.243 2.899 5.500 1.00 54.21 H new ATOM 0 HB1 ALA A 12 -4.110 2.121 4.521 1.00 70.13 H new ATOM 0 HB2 ALA A 12 -4.614 3.688 3.846 1.00 70.13 H new ATOM 0 HB3 ALA A 12 -3.321 3.619 5.067 1.00 70.13 H new ATOM 162 N ILE A 13 -3.807 3.021 7.733 1.00 43.11 N ATOM 163 CA ILE A 13 -3.291 2.373 8.933 1.00 32.15 C ATOM 164 C ILE A 13 -4.234 2.574 10.115 1.00 71.42 C ATOM 165 O ILE A 13 -4.363 1.704 10.977 1.00 54.20 O ATOM 166 CB ILE A 13 -1.897 2.907 9.307 1.00 63.31 C ATOM 167 CG1 ILE A 13 -0.913 2.676 8.157 1.00 5.33 C ATOM 168 CG2 ILE A 13 -1.397 2.240 10.580 1.00 33.22 C ATOM 169 CD1 ILE A 13 0.487 3.166 8.454 1.00 60.32 C ATOM 0 H ILE A 13 -3.290 3.852 7.447 1.00 43.11 H new ATOM 0 HA ILE A 13 -3.215 1.309 8.708 1.00 32.15 H new ATOM 0 HB ILE A 13 -1.972 3.979 9.487 1.00 63.31 H new ATOM 0 HG12 ILE A 13 -0.876 1.611 7.929 1.00 5.33 H new ATOM 0 HG13 ILE A 13 -1.284 3.180 7.265 1.00 5.33 H new ATOM 0 HG21 ILE A 13 -0.410 2.629 10.831 1.00 33.22 H new ATOM 0 HG22 ILE A 13 -2.088 2.450 11.396 1.00 33.22 H new ATOM 0 HG23 ILE A 13 -1.334 1.163 10.426 1.00 33.22 H new ATOM 0 HD11 ILE A 13 1.131 2.970 7.596 1.00 60.32 H new ATOM 0 HD12 ILE A 13 0.463 4.237 8.653 1.00 60.32 H new ATOM 0 HD13 ILE A 13 0.878 2.644 9.327 1.00 60.32 H new ATOM 181 N LYS A 14 -4.894 3.726 10.147 1.00 5.24 N ATOM 182 CA LYS A 14 -5.829 4.043 11.221 1.00 25.02 C ATOM 183 C LYS A 14 -6.989 3.053 11.243 1.00 62.33 C ATOM 184 O LYS A 14 -7.445 2.640 12.309 1.00 11.41 O ATOM 185 CB LYS A 14 -6.364 5.468 11.057 1.00 62.43 C ATOM 186 CG LYS A 14 -7.235 5.928 12.213 1.00 62.34 C ATOM 187 CD LYS A 14 -7.333 7.443 12.268 1.00 1.54 C ATOM 188 CE LYS A 14 -8.689 7.895 12.788 1.00 4.30 C ATOM 189 NZ LYS A 14 -9.747 7.788 11.745 1.00 44.51 N ATOM 0 H LYS A 14 -4.799 4.457 9.441 1.00 5.24 H new ATOM 0 HA LYS A 14 -5.293 3.969 12.167 1.00 25.02 H new ATOM 0 HB2 LYS A 14 -5.523 6.153 10.952 1.00 62.43 H new ATOM 0 HB3 LYS A 14 -6.940 5.527 10.133 1.00 62.43 H new ATOM 0 HG2 LYS A 14 -8.233 5.501 12.110 1.00 62.34 H new ATOM 0 HG3 LYS A 14 -6.824 5.555 13.151 1.00 62.34 H new ATOM 0 HD2 LYS A 14 -6.546 7.837 12.911 1.00 1.54 H new ATOM 0 HD3 LYS A 14 -7.168 7.856 11.273 1.00 1.54 H new ATOM 0 HE2 LYS A 14 -8.967 7.290 13.651 1.00 4.30 H new ATOM 0 HE3 LYS A 14 -8.621 8.927 13.131 1.00 4.30 H new ATOM 0 HZ1 LYS A 14 -10.656 8.105 12.139 1.00 44.51 H new ATOM 0 HZ2 LYS A 14 -9.495 8.385 10.932 1.00 44.51 H new ATOM 0 HZ3 LYS A 14 -9.830 6.799 11.435 1.00 44.51 H new ATOM 203 N ARG A 15 -7.460 2.675 10.059 1.00 42.52 N ATOM 204 CA ARG A 15 -8.566 1.732 9.942 1.00 0.55 C ATOM 205 C ARG A 15 -8.054 0.296 9.904 1.00 72.43 C ATOM 206 O ARG A 15 -8.722 -0.624 10.377 1.00 34.31 O ATOM 207 CB ARG A 15 -9.384 2.028 8.684 1.00 21.31 C ATOM 208 CG ARG A 15 -10.455 3.087 8.888 1.00 73.32 C ATOM 209 CD ARG A 15 -11.690 2.799 8.048 1.00 35.14 C ATOM 210 NE ARG A 15 -12.757 3.765 8.295 1.00 1.21 N ATOM 211 CZ ARG A 15 -13.558 3.721 9.354 1.00 75.12 C ATOM 212 NH1 ARG A 15 -13.413 2.763 10.259 1.00 74.21 N ATOM 213 NH2 ARG A 15 -14.506 4.636 9.509 1.00 2.42 N ATOM 0 H ARG A 15 -7.093 3.007 9.167 1.00 42.52 H new ATOM 0 HA ARG A 15 -9.205 1.848 10.818 1.00 0.55 H new ATOM 0 HB2 ARG A 15 -8.710 2.353 7.891 1.00 21.31 H new ATOM 0 HB3 ARG A 15 -9.856 1.107 8.343 1.00 21.31 H new ATOM 0 HG2 ARG A 15 -10.732 3.128 9.942 1.00 73.32 H new ATOM 0 HG3 ARG A 15 -10.055 4.066 8.625 1.00 73.32 H new ATOM 0 HD2 ARG A 15 -11.422 2.817 6.992 1.00 35.14 H new ATOM 0 HD3 ARG A 15 -12.052 1.795 8.268 1.00 35.14 H new ATOM 0 HE ARG A 15 -12.895 4.515 7.617 1.00 1.21 H new ATOM 0 HH11 ARG A 15 -12.685 2.058 10.143 1.00 74.21 H new ATOM 0 HH12 ARG A 15 -14.029 2.731 11.071 1.00 74.21 H new ATOM 0 HH21 ARG A 15 -14.621 5.374 8.815 1.00 2.42 H new ATOM 0 HH22 ARG A 15 -15.120 4.601 10.322 1.00 2.42 H new ATOM 227 N CYS A 16 -6.867 0.111 9.338 1.00 21.13 N ATOM 228 CA CYS A 16 -6.266 -1.214 9.236 1.00 22.34 C ATOM 229 C CYS A 16 -5.946 -1.773 10.619 1.00 21.21 C ATOM 230 O CYS A 16 -5.888 -2.988 10.811 1.00 43.31 O ATOM 231 CB CYS A 16 -4.995 -1.157 8.388 1.00 33.43 C ATOM 232 SG CYS A 16 -4.172 -2.754 8.185 1.00 72.22 S ATOM 0 H CYS A 16 -6.301 0.862 8.942 1.00 21.13 H new ATOM 0 HA CYS A 16 -6.985 -1.876 8.754 1.00 22.34 H new ATOM 0 HB2 CYS A 16 -5.245 -0.761 7.404 1.00 33.43 H new ATOM 0 HB3 CYS A 16 -4.297 -0.456 8.845 1.00 33.43 H new ATOM 0 HG CYS A 16 -4.599 -3.581 9.093 1.00 72.22 H new ATOM 238 N SER A 17 -5.736 -0.878 11.579 1.00 44.22 N ATOM 239 CA SER A 17 -5.415 -1.281 12.944 1.00 74.12 C ATOM 240 C SER A 17 -6.510 -2.176 13.517 1.00 62.35 C ATOM 241 O SER A 17 -6.271 -2.952 14.441 1.00 70.32 O ATOM 242 CB SER A 17 -5.229 -0.050 13.831 1.00 32.04 C ATOM 243 OG SER A 17 -3.857 0.277 13.971 1.00 32.12 O ATOM 0 H SER A 17 -5.782 0.131 11.437 1.00 44.22 H new ATOM 0 HA SER A 17 -4.483 -1.846 12.921 1.00 74.12 H new ATOM 0 HB2 SER A 17 -5.765 0.796 13.401 1.00 32.04 H new ATOM 0 HB3 SER A 17 -5.663 -0.237 14.813 1.00 32.04 H new ATOM 0 HG SER A 17 -3.766 1.069 14.541 1.00 32.12 H new ATOM 249 N ASN A 18 -7.711 -2.061 12.961 1.00 24.41 N ATOM 250 CA ASN A 18 -8.844 -2.859 13.417 1.00 50.42 C ATOM 251 C ASN A 18 -9.013 -4.106 12.554 1.00 3.12 C ATOM 252 O ASN A 18 -10.112 -4.648 12.438 1.00 32.30 O ATOM 253 CB ASN A 18 -10.126 -2.025 13.385 1.00 22.14 C ATOM 254 CG ASN A 18 -11.194 -2.572 14.314 1.00 71.13 C ATOM 255 OD1 ASN A 18 -11.103 -3.707 14.781 1.00 34.31 O ATOM 256 ND2 ASN A 18 -12.212 -1.765 14.585 1.00 12.41 N ATOM 0 H ASN A 18 -7.925 -1.423 12.194 1.00 24.41 H new ATOM 0 HA ASN A 18 -8.648 -3.173 14.442 1.00 50.42 H new ATOM 0 HB2 ASN A 18 -9.895 -0.997 13.666 1.00 22.14 H new ATOM 0 HB3 ASN A 18 -10.513 -1.998 12.366 1.00 22.14 H new ATOM 0 HD21 ASN A 18 -12.960 -2.078 15.203 1.00 12.41 H new ATOM 0 HD22 ASN A 18 -12.246 -0.832 14.175 1.00 12.41 H new ATOM 263 N VAL A 19 -7.917 -4.555 11.952 1.00 41.42 N ATOM 264 CA VAL A 19 -7.942 -5.739 11.101 1.00 33.02 C ATOM 265 C VAL A 19 -7.366 -6.949 11.826 1.00 25.23 C ATOM 266 O VAL A 19 -6.198 -6.955 12.214 1.00 53.03 O ATOM 267 CB VAL A 19 -7.154 -5.511 9.797 1.00 23.55 C ATOM 268 CG1 VAL A 19 -7.154 -6.772 8.947 1.00 62.34 C ATOM 269 CG2 VAL A 19 -7.733 -4.336 9.024 1.00 32.32 C ATOM 0 H VAL A 19 -7.000 -4.117 12.038 1.00 41.42 H new ATOM 0 HA VAL A 19 -8.987 -5.930 10.856 1.00 33.02 H new ATOM 0 HB VAL A 19 -6.121 -5.274 10.053 1.00 23.55 H new ATOM 0 HG11 VAL A 19 -6.593 -6.593 8.030 1.00 62.34 H new ATOM 0 HG12 VAL A 19 -6.689 -7.586 9.503 1.00 62.34 H new ATOM 0 HG13 VAL A 19 -8.180 -7.043 8.698 1.00 62.34 H new ATOM 0 HG21 VAL A 19 -7.164 -4.189 8.106 1.00 32.32 H new ATOM 0 HG22 VAL A 19 -8.775 -4.541 8.777 1.00 32.32 H new ATOM 0 HG23 VAL A 19 -7.675 -3.435 9.635 1.00 32.32 H new ATOM 279 N ALA A 20 -8.193 -7.974 12.006 1.00 72.13 N ATOM 280 CA ALA A 20 -7.764 -9.192 12.683 1.00 51.13 C ATOM 281 C ALA A 20 -6.901 -10.053 11.768 1.00 64.22 C ATOM 282 O ALA A 20 -7.413 -10.848 10.979 1.00 1.43 O ATOM 283 CB ALA A 20 -8.973 -9.981 13.167 1.00 40.52 C ATOM 0 H ALA A 20 -9.164 -7.985 11.692 1.00 72.13 H new ATOM 0 HA ALA A 20 -7.161 -8.906 13.545 1.00 51.13 H new ATOM 0 HB1 ALA A 20 -8.638 -10.888 13.671 1.00 40.52 H new ATOM 0 HB2 ALA A 20 -9.550 -9.372 13.863 1.00 40.52 H new ATOM 0 HB3 ALA A 20 -9.598 -10.249 12.315 1.00 40.52 H new ATOM 289 N VAL A 21 -5.585 -9.890 11.877 1.00 30.02 N ATOM 290 CA VAL A 21 -4.650 -10.653 11.059 1.00 14.41 C ATOM 291 C VAL A 21 -4.862 -12.152 11.236 1.00 74.13 C ATOM 292 O VAL A 21 -4.523 -12.945 10.359 1.00 61.11 O ATOM 293 CB VAL A 21 -3.190 -10.307 11.407 1.00 72.35 C ATOM 294 CG1 VAL A 21 -2.237 -10.955 10.414 1.00 22.44 C ATOM 295 CG2 VAL A 21 -2.993 -8.800 11.442 1.00 54.13 C ATOM 0 H VAL A 21 -5.143 -9.236 12.524 1.00 30.02 H new ATOM 0 HA VAL A 21 -4.843 -10.382 10.021 1.00 14.41 H new ATOM 0 HB VAL A 21 -2.968 -10.702 12.398 1.00 72.35 H new ATOM 0 HG11 VAL A 21 -1.210 -10.700 10.675 1.00 22.44 H new ATOM 0 HG12 VAL A 21 -2.361 -12.038 10.444 1.00 22.44 H new ATOM 0 HG13 VAL A 21 -2.456 -10.593 9.410 1.00 22.44 H new ATOM 0 HG21 VAL A 21 -1.956 -8.574 11.689 1.00 54.13 H new ATOM 0 HG22 VAL A 21 -3.233 -8.379 10.466 1.00 54.13 H new ATOM 0 HG23 VAL A 21 -3.649 -8.365 12.196 1.00 54.13 H new ATOM 375 N LYS A 28 -4.729 -10.742 17.364 1.00 42.43 N ATOM 376 CA LYS A 28 -3.595 -10.066 16.742 1.00 25.34 C ATOM 377 C LYS A 28 -4.060 -9.141 15.624 1.00 54.11 C ATOM 378 O LYS A 28 -4.442 -9.596 14.545 1.00 15.22 O ATOM 379 CB LYS A 28 -2.603 -11.093 16.190 1.00 31.04 C ATOM 380 CG LYS A 28 -1.152 -10.758 16.488 1.00 23.14 C ATOM 381 CD LYS A 28 -0.291 -10.851 15.239 1.00 24.34 C ATOM 382 CE LYS A 28 1.177 -11.043 15.589 1.00 12.13 C ATOM 383 NZ LYS A 28 1.655 -10.020 16.559 1.00 12.10 N ATOM 0 HA LYS A 28 -3.100 -9.465 17.504 1.00 25.34 H new ATOM 0 HB2 LYS A 28 -2.835 -12.072 16.610 1.00 31.04 H new ATOM 0 HB3 LYS A 28 -2.735 -11.170 15.111 1.00 31.04 H new ATOM 0 HG2 LYS A 28 -1.087 -9.752 16.902 1.00 23.14 H new ATOM 0 HG3 LYS A 28 -0.769 -11.440 17.247 1.00 23.14 H new ATOM 0 HD2 LYS A 28 -0.631 -11.683 14.622 1.00 24.34 H new ATOM 0 HD3 LYS A 28 -0.409 -9.944 14.645 1.00 24.34 H new ATOM 0 HE2 LYS A 28 1.323 -12.038 16.009 1.00 12.13 H new ATOM 0 HE3 LYS A 28 1.777 -10.990 14.680 1.00 12.13 H new ATOM 0 HZ1 LYS A 28 2.694 -10.032 16.592 1.00 12.10 H new ATOM 0 HZ2 LYS A 28 1.329 -9.079 16.260 1.00 12.10 H new ATOM 0 HZ3 LYS A 28 1.276 -10.234 17.504 1.00 12.10 H new ATOM 397 N LYS A 29 -4.026 -7.839 15.885 1.00 2.24 N ATOM 398 CA LYS A 29 -4.441 -6.847 14.901 1.00 70.13 C ATOM 399 C LYS A 29 -3.233 -6.259 14.178 1.00 35.21 C ATOM 400 O LYS A 29 -2.120 -6.264 14.704 1.00 61.21 O ATOM 401 CB LYS A 29 -5.238 -5.729 15.576 1.00 71.42 C ATOM 402 CG LYS A 29 -4.380 -4.776 16.388 1.00 0.34 C ATOM 403 CD LYS A 29 -5.186 -4.092 17.479 1.00 25.24 C ATOM 404 CE LYS A 29 -4.411 -2.945 18.109 1.00 23.05 C ATOM 405 NZ LYS A 29 -4.229 -3.137 19.576 1.00 53.23 N ATOM 0 H LYS A 29 -3.714 -7.445 16.773 1.00 2.24 H new ATOM 0 HA LYS A 29 -5.075 -7.344 14.167 1.00 70.13 H new ATOM 0 HB2 LYS A 29 -5.772 -5.163 14.813 1.00 71.42 H new ATOM 0 HB3 LYS A 29 -5.990 -6.173 16.228 1.00 71.42 H new ATOM 0 HG2 LYS A 29 -3.551 -5.323 16.836 1.00 0.34 H new ATOM 0 HG3 LYS A 29 -3.946 -4.024 15.729 1.00 0.34 H new ATOM 0 HD2 LYS A 29 -6.120 -3.715 17.061 1.00 25.24 H new ATOM 0 HD3 LYS A 29 -5.451 -4.819 18.247 1.00 25.24 H new ATOM 0 HE2 LYS A 29 -3.436 -2.860 17.630 1.00 23.05 H new ATOM 0 HE3 LYS A 29 -4.938 -2.008 17.928 1.00 23.05 H new ATOM 0 HZ1 LYS A 29 -3.696 -2.334 19.968 1.00 53.23 H new ATOM 0 HZ2 LYS A 29 -5.160 -3.193 20.037 1.00 53.23 H new ATOM 0 HZ3 LYS A 29 -3.704 -4.018 19.748 1.00 53.23 H new ATOM 419 N PHE A 30 -3.460 -5.753 12.971 1.00 54.42 N ATOM 420 CA PHE A 30 -2.391 -5.160 12.176 1.00 72.51 C ATOM 421 C PHE A 30 -1.816 -3.929 12.869 1.00 11.15 C ATOM 422 O PHE A 30 -2.218 -3.583 13.980 1.00 31.50 O ATOM 423 CB PHE A 30 -2.908 -4.782 10.787 1.00 10.11 C ATOM 424 CG PHE A 30 -2.365 -5.650 9.688 1.00 44.43 C ATOM 425 CD1 PHE A 30 -0.999 -5.838 9.547 1.00 23.43 C ATOM 426 CD2 PHE A 30 -3.219 -6.276 8.795 1.00 22.41 C ATOM 427 CE1 PHE A 30 -0.495 -6.636 8.538 1.00 54.35 C ATOM 428 CE2 PHE A 30 -2.720 -7.076 7.784 1.00 14.21 C ATOM 429 CZ PHE A 30 -1.357 -7.255 7.654 1.00 13.13 C ATOM 0 H PHE A 30 -4.375 -5.742 12.521 1.00 54.42 H new ATOM 0 HA PHE A 30 -1.598 -5.900 12.071 1.00 72.51 H new ATOM 0 HB2 PHE A 30 -3.996 -4.844 10.784 1.00 10.11 H new ATOM 0 HB3 PHE A 30 -2.647 -3.744 10.581 1.00 10.11 H new ATOM 0 HD1 PHE A 30 -0.320 -5.355 10.234 1.00 23.43 H new ATOM 0 HD2 PHE A 30 -4.286 -6.138 8.890 1.00 22.41 H new ATOM 0 HE1 PHE A 30 0.572 -6.776 8.441 1.00 54.35 H new ATOM 0 HE2 PHE A 30 -3.396 -7.561 7.096 1.00 14.21 H new ATOM 0 HZ PHE A 30 -0.966 -7.878 6.863 1.00 13.13 H new ATOM 439 N GLY A 31 -0.871 -3.270 12.206 1.00 50.15 N ATOM 440 CA GLY A 31 -0.255 -2.085 12.773 1.00 3.02 C ATOM 441 C GLY A 31 0.732 -1.433 11.825 1.00 72.55 C ATOM 442 O GLY A 31 1.095 -2.014 10.803 1.00 20.42 O ATOM 0 H GLY A 31 -0.521 -3.536 11.286 1.00 50.15 H new ATOM 0 HA2 GLY A 31 -1.031 -1.366 13.035 1.00 3.02 H new ATOM 0 HA3 GLY A 31 0.257 -2.353 13.697 1.00 3.02 H new ATOM 446 N GLU A 32 1.165 -0.223 12.164 1.00 74.32 N ATOM 447 CA GLU A 32 2.114 0.508 11.332 1.00 20.31 C ATOM 448 C GLU A 32 3.401 -0.291 11.145 1.00 54.24 C ATOM 449 O GLU A 32 3.974 -0.318 10.056 1.00 24.21 O ATOM 450 CB GLU A 32 2.431 1.868 11.956 1.00 22.32 C ATOM 451 CG GLU A 32 3.330 2.739 11.095 1.00 24.51 C ATOM 452 CD GLU A 32 2.889 4.189 11.071 1.00 13.52 C ATOM 453 OE1 GLU A 32 2.892 4.791 9.976 1.00 1.12 O ATOM 454 OE2 GLU A 32 2.540 4.722 12.145 1.00 54.21 O ATOM 0 H GLU A 32 0.874 0.271 13.008 1.00 74.32 H new ATOM 0 HA GLU A 32 1.657 0.663 10.354 1.00 20.31 H new ATOM 0 HB2 GLU A 32 1.497 2.398 12.144 1.00 22.32 H new ATOM 0 HB3 GLU A 32 2.909 1.712 12.923 1.00 22.32 H new ATOM 0 HG2 GLU A 32 4.352 2.680 11.469 1.00 24.51 H new ATOM 0 HG3 GLU A 32 3.340 2.349 10.077 1.00 24.51 H new ATOM 461 N GLY A 33 3.849 -0.939 12.215 1.00 22.22 N ATOM 462 CA GLY A 33 5.065 -1.729 12.150 1.00 50.12 C ATOM 463 C GLY A 33 4.932 -2.921 11.224 1.00 72.24 C ATOM 464 O GLY A 33 5.729 -3.093 10.302 1.00 21.45 O ATOM 0 H GLY A 33 3.392 -0.931 13.127 1.00 22.22 H new ATOM 0 HA2 GLY A 33 5.887 -1.099 11.810 1.00 50.12 H new ATOM 0 HA3 GLY A 33 5.323 -2.077 13.150 1.00 50.12 H new ATOM 468 N ASN A 34 3.922 -3.750 11.471 1.00 60.21 N ATOM 469 CA ASN A 34 3.690 -4.935 10.653 1.00 33.44 C ATOM 470 C ASN A 34 3.536 -4.561 9.182 1.00 5.21 C ATOM 471 O ASN A 34 4.133 -5.187 8.307 1.00 53.52 O ATOM 472 CB ASN A 34 2.440 -5.675 11.136 1.00 75.03 C ATOM 473 CG ASN A 34 2.460 -5.932 12.630 1.00 2.34 C ATOM 474 OD1 ASN A 34 2.003 -5.105 13.420 1.00 64.33 O ATOM 475 ND2 ASN A 34 2.992 -7.083 13.025 1.00 4.11 N ATOM 0 H ASN A 34 3.252 -3.623 12.230 1.00 60.21 H new ATOM 0 HA ASN A 34 4.555 -5.590 10.753 1.00 33.44 H new ATOM 0 HB2 ASN A 34 1.555 -5.091 10.883 1.00 75.03 H new ATOM 0 HB3 ASN A 34 2.357 -6.625 10.608 1.00 75.03 H new ATOM 0 HD21 ASN A 34 3.034 -7.311 14.018 1.00 4.11 H new ATOM 0 HD22 ASN A 34 3.359 -7.739 12.335 1.00 4.11 H new ATOM 482 N PHE A 35 2.734 -3.535 8.920 1.00 13.33 N ATOM 483 CA PHE A 35 2.502 -3.076 7.555 1.00 31.22 C ATOM 484 C PHE A 35 3.821 -2.759 6.856 1.00 11.13 C ATOM 485 O PHE A 35 4.038 -3.152 5.709 1.00 4.05 O ATOM 486 CB PHE A 35 1.602 -1.838 7.557 1.00 41.50 C ATOM 487 CG PHE A 35 1.484 -1.181 6.211 1.00 35.23 C ATOM 488 CD1 PHE A 35 1.218 -1.935 5.079 1.00 14.23 C ATOM 489 CD2 PHE A 35 1.638 0.189 6.078 1.00 62.01 C ATOM 490 CE1 PHE A 35 1.107 -1.334 3.839 1.00 41.34 C ATOM 491 CE2 PHE A 35 1.528 0.795 4.840 1.00 24.12 C ATOM 492 CZ PHE A 35 1.264 0.033 3.720 1.00 73.04 C ATOM 0 H PHE A 35 2.234 -3.006 9.634 1.00 13.33 H new ATOM 0 HA PHE A 35 2.005 -3.877 7.008 1.00 31.22 H new ATOM 0 HB2 PHE A 35 0.608 -2.122 7.902 1.00 41.50 H new ATOM 0 HB3 PHE A 35 1.994 -1.115 8.272 1.00 41.50 H new ATOM 0 HD1 PHE A 35 1.096 -3.005 5.167 1.00 14.23 H new ATOM 0 HD2 PHE A 35 1.846 0.790 6.951 1.00 62.01 H new ATOM 0 HE1 PHE A 35 0.898 -1.933 2.965 1.00 41.34 H new ATOM 0 HE2 PHE A 35 1.649 1.864 4.750 1.00 24.12 H new ATOM 0 HZ PHE A 35 1.180 0.505 2.752 1.00 73.04 H new ATOM 502 N ARG A 36 4.697 -2.046 7.556 1.00 51.35 N ATOM 503 CA ARG A 36 5.994 -1.674 7.001 1.00 22.53 C ATOM 504 C ARG A 36 6.820 -2.915 6.672 1.00 1.31 C ATOM 505 O ARG A 36 7.441 -2.994 5.613 1.00 73.43 O ATOM 506 CB ARG A 36 6.758 -0.787 7.987 1.00 30.05 C ATOM 507 CG ARG A 36 6.099 0.561 8.229 1.00 43.30 C ATOM 508 CD ARG A 36 6.452 1.115 9.601 1.00 50.24 C ATOM 509 NE ARG A 36 7.287 2.310 9.508 1.00 23.11 N ATOM 510 CZ ARG A 36 8.601 2.276 9.317 1.00 51.32 C ATOM 511 NH1 ARG A 36 9.227 1.113 9.197 1.00 14.34 N ATOM 512 NH2 ARG A 36 9.293 3.406 9.245 1.00 34.04 N ATOM 0 H ARG A 36 4.533 -1.715 8.507 1.00 51.35 H new ATOM 0 HA ARG A 36 5.822 -1.118 6.080 1.00 22.53 H new ATOM 0 HB2 ARG A 36 6.852 -1.312 8.938 1.00 30.05 H new ATOM 0 HB3 ARG A 36 7.768 -0.626 7.611 1.00 30.05 H new ATOM 0 HG2 ARG A 36 6.414 1.265 7.459 1.00 43.30 H new ATOM 0 HG3 ARG A 36 5.017 0.459 8.144 1.00 43.30 H new ATOM 0 HD2 ARG A 36 5.537 1.353 10.143 1.00 50.24 H new ATOM 0 HD3 ARG A 36 6.974 0.351 10.177 1.00 50.24 H new ATOM 0 HE ARG A 36 6.836 3.221 9.595 1.00 23.11 H new ATOM 0 HH11 ARG A 36 8.699 0.242 9.251 1.00 14.34 H new ATOM 0 HH12 ARG A 36 10.236 1.090 9.050 1.00 14.34 H new ATOM 0 HH21 ARG A 36 8.816 4.303 9.336 1.00 34.04 H new ATOM 0 HH22 ARG A 36 10.302 3.378 9.098 1.00 34.04 H new ATOM 526 N TRP A 37 6.822 -3.878 7.586 1.00 0.12 N ATOM 527 CA TRP A 37 7.572 -5.114 7.393 1.00 40.51 C ATOM 528 C TRP A 37 7.135 -5.821 6.115 1.00 11.14 C ATOM 529 O TRP A 37 7.947 -6.440 5.428 1.00 2.25 O ATOM 530 CB TRP A 37 7.384 -6.041 8.594 1.00 23.41 C ATOM 531 CG TRP A 37 7.945 -7.415 8.378 1.00 13.50 C ATOM 532 CD1 TRP A 37 9.153 -7.883 8.806 1.00 44.04 C ATOM 533 CD2 TRP A 37 7.318 -8.496 7.678 1.00 43.33 C ATOM 534 NE1 TRP A 37 9.316 -9.190 8.414 1.00 61.53 N ATOM 535 CE2 TRP A 37 8.204 -9.589 7.722 1.00 63.33 C ATOM 536 CE3 TRP A 37 6.094 -8.646 7.020 1.00 25.34 C ATOM 537 CZ2 TRP A 37 7.904 -10.814 7.133 1.00 54.22 C ATOM 538 CZ3 TRP A 37 5.797 -9.862 6.436 1.00 64.33 C ATOM 539 CH2 TRP A 37 6.699 -10.934 6.495 1.00 13.05 C ATOM 0 H TRP A 37 6.313 -3.827 8.468 1.00 0.12 H new ATOM 0 HA TRP A 37 8.628 -4.859 7.302 1.00 40.51 H new ATOM 0 HB2 TRP A 37 7.861 -5.595 9.467 1.00 23.41 H new ATOM 0 HB3 TRP A 37 6.320 -6.122 8.819 1.00 23.41 H new ATOM 0 HD1 TRP A 37 9.875 -7.311 9.370 1.00 44.04 H new ATOM 0 HE1 TRP A 37 10.133 -9.769 8.607 1.00 61.53 H new ATOM 0 HE3 TRP A 37 5.393 -7.826 6.969 1.00 25.34 H new ATOM 0 HZ2 TRP A 37 8.598 -11.641 7.178 1.00 54.22 H new ATOM 0 HZ3 TRP A 37 4.854 -9.989 5.925 1.00 64.33 H new ATOM 0 HH2 TRP A 37 6.438 -11.872 6.028 1.00 13.05 H new ATOM 550 N ALA A 38 5.847 -5.725 5.801 1.00 22.43 N ATOM 551 CA ALA A 38 5.303 -6.355 4.605 1.00 61.44 C ATOM 552 C ALA A 38 5.786 -5.646 3.344 1.00 24.25 C ATOM 553 O ALA A 38 6.400 -6.261 2.472 1.00 45.22 O ATOM 554 CB ALA A 38 3.783 -6.364 4.658 1.00 34.15 C ATOM 0 H ALA A 38 5.161 -5.217 6.359 1.00 22.43 H new ATOM 0 HA ALA A 38 5.660 -7.384 4.572 1.00 61.44 H new ATOM 0 HB1 ALA A 38 3.390 -6.838 3.758 1.00 34.15 H new ATOM 0 HB2 ALA A 38 3.453 -6.921 5.535 1.00 34.15 H new ATOM 0 HB3 ALA A 38 3.415 -5.340 4.719 1.00 34.15 H new ATOM 560 N ILE A 39 5.504 -4.351 3.255 1.00 52.11 N ATOM 561 CA ILE A 39 5.910 -3.560 2.099 1.00 4.13 C ATOM 562 C ILE A 39 7.424 -3.589 1.919 1.00 71.00 C ATOM 563 O ILE A 39 7.923 -3.667 0.796 1.00 22.11 O ATOM 564 CB ILE A 39 5.448 -2.095 2.230 1.00 63.51 C ATOM 565 CG1 ILE A 39 5.929 -1.278 1.030 1.00 64.11 C ATOM 566 CG2 ILE A 39 5.962 -1.493 3.529 1.00 13.32 C ATOM 567 CD1 ILE A 39 5.502 0.172 1.077 1.00 43.44 C ATOM 0 H ILE A 39 4.997 -3.827 3.968 1.00 52.11 H new ATOM 0 HA ILE A 39 5.434 -4.007 1.226 1.00 4.13 H new ATOM 0 HB ILE A 39 4.358 -2.072 2.248 1.00 63.51 H new ATOM 0 HG12 ILE A 39 7.017 -1.327 0.980 1.00 64.11 H new ATOM 0 HG13 ILE A 39 5.547 -1.731 0.115 1.00 64.11 H new ATOM 0 HG21 ILE A 39 5.628 -0.458 3.608 1.00 13.32 H new ATOM 0 HG22 ILE A 39 5.575 -2.064 4.373 1.00 13.32 H new ATOM 0 HG23 ILE A 39 7.052 -1.524 3.538 1.00 13.32 H new ATOM 0 HD11 ILE A 39 5.878 0.691 0.195 1.00 43.44 H new ATOM 0 HD12 ILE A 39 4.414 0.230 1.096 1.00 43.44 H new ATOM 0 HD13 ILE A 39 5.906 0.641 1.974 1.00 43.44 H new ATOM 579 N ARG A 40 8.149 -3.528 3.031 1.00 31.23 N ATOM 580 CA ARG A 40 9.606 -3.549 2.995 1.00 41.53 C ATOM 581 C ARG A 40 10.115 -4.826 2.334 1.00 44.12 C ATOM 582 O ARG A 40 10.936 -4.778 1.418 1.00 2.23 O ATOM 583 CB ARG A 40 10.175 -3.433 4.411 1.00 14.33 C ATOM 584 CG ARG A 40 10.265 -2.002 4.915 1.00 53.14 C ATOM 585 CD ARG A 40 11.686 -1.645 5.327 1.00 33.14 C ATOM 586 NE ARG A 40 12.612 -1.700 4.200 1.00 32.40 N ATOM 587 CZ ARG A 40 12.683 -0.765 3.260 1.00 54.23 C ATOM 588 NH1 ARG A 40 11.885 0.293 3.312 1.00 54.34 N ATOM 589 NH2 ARG A 40 13.553 -0.887 2.265 1.00 11.44 N ATOM 0 H ARG A 40 7.751 -3.464 3.968 1.00 31.23 H new ATOM 0 HA ARG A 40 9.942 -2.696 2.405 1.00 41.53 H new ATOM 0 HB2 ARG A 40 9.551 -4.011 5.093 1.00 14.33 H new ATOM 0 HB3 ARG A 40 11.169 -3.880 4.432 1.00 14.33 H new ATOM 0 HG2 ARG A 40 9.928 -1.319 4.135 1.00 53.14 H new ATOM 0 HG3 ARG A 40 9.595 -1.871 5.765 1.00 53.14 H new ATOM 0 HD2 ARG A 40 11.698 -0.644 5.758 1.00 33.14 H new ATOM 0 HD3 ARG A 40 12.021 -2.331 6.105 1.00 33.14 H new ATOM 0 HE ARG A 40 13.239 -2.501 4.131 1.00 32.40 H new ATOM 0 HH11 ARG A 40 11.215 0.390 4.075 1.00 54.34 H new ATOM 0 HH12 ARG A 40 11.941 1.010 2.589 1.00 54.34 H new ATOM 0 HH21 ARG A 40 14.168 -1.700 2.222 1.00 11.44 H new ATOM 0 HH22 ARG A 40 13.607 -0.168 1.543 1.00 11.44 H new ATOM 603 N MET A 41 9.624 -5.967 2.806 1.00 52.51 N ATOM 604 CA MET A 41 10.029 -7.257 2.261 1.00 42.34 C ATOM 605 C MET A 41 9.505 -7.435 0.840 1.00 71.13 C ATOM 606 O MET A 41 10.194 -7.980 -0.023 1.00 23.13 O ATOM 607 CB MET A 41 9.523 -8.394 3.151 1.00 53.12 C ATOM 608 CG MET A 41 9.829 -9.778 2.601 1.00 22.34 C ATOM 609 SD MET A 41 10.667 -10.830 3.802 1.00 73.55 S ATOM 610 CE MET A 41 11.642 -11.871 2.717 1.00 10.33 C ATOM 0 H MET A 41 8.945 -6.024 3.565 1.00 52.51 H new ATOM 0 HA MET A 41 11.118 -7.286 2.234 1.00 42.34 H new ATOM 0 HB2 MET A 41 9.971 -8.298 4.140 1.00 53.12 H new ATOM 0 HB3 MET A 41 8.445 -8.293 3.278 1.00 53.12 H new ATOM 0 HG2 MET A 41 8.900 -10.256 2.291 1.00 22.34 H new ATOM 0 HG3 MET A 41 10.451 -9.682 1.711 1.00 22.34 H new ATOM 0 HE1 MET A 41 12.219 -12.578 3.313 1.00 10.33 H new ATOM 0 HE2 MET A 41 10.980 -12.418 2.046 1.00 10.33 H new ATOM 0 HE3 MET A 41 12.321 -11.251 2.132 1.00 10.33 H new ATOM 620 N ALA A 42 8.282 -6.973 0.602 1.00 33.25 N ATOM 621 CA ALA A 42 7.666 -7.080 -0.714 1.00 35.02 C ATOM 622 C ALA A 42 8.464 -6.306 -1.758 1.00 74.11 C ATOM 623 O ALA A 42 8.681 -6.787 -2.869 1.00 0.33 O ATOM 624 CB ALA A 42 6.229 -6.581 -0.667 1.00 44.53 C ATOM 0 H ALA A 42 7.698 -6.520 1.305 1.00 33.25 H new ATOM 0 HA ALA A 42 7.664 -8.131 -1.003 1.00 35.02 H new ATOM 0 HB1 ALA A 42 5.781 -6.667 -1.657 1.00 44.53 H new ATOM 0 HB2 ALA A 42 5.659 -7.181 0.042 1.00 44.53 H new ATOM 0 HB3 ALA A 42 6.216 -5.537 -0.352 1.00 44.53 H new ATOM 630 N ASN A 43 8.896 -5.104 -1.393 1.00 4.24 N ATOM 631 CA ASN A 43 9.669 -4.262 -2.299 1.00 3.11 C ATOM 632 C ASN A 43 11.003 -4.916 -2.643 1.00 45.43 C ATOM 633 O ASN A 43 11.321 -5.125 -3.814 1.00 73.22 O ATOM 634 CB ASN A 43 9.909 -2.887 -1.672 1.00 23.03 C ATOM 635 CG ASN A 43 9.241 -1.771 -2.451 1.00 11.01 C ATOM 636 OD1 ASN A 43 8.263 -1.996 -3.163 1.00 71.05 O ATOM 637 ND2 ASN A 43 9.768 -0.559 -2.318 1.00 30.43 N ATOM 0 H ASN A 43 8.724 -4.691 -0.476 1.00 4.24 H new ATOM 0 HA ASN A 43 9.096 -4.139 -3.218 1.00 3.11 H new ATOM 0 HB2 ASN A 43 9.534 -2.887 -0.649 1.00 23.03 H new ATOM 0 HB3 ASN A 43 10.981 -2.697 -1.618 1.00 23.03 H new ATOM 0 HD21 ASN A 43 9.361 0.232 -2.818 1.00 30.43 H new ATOM 0 HD22 ASN A 43 10.580 -0.419 -1.716 1.00 30.43 H new ATOM 644 N VAL A 44 11.783 -5.237 -1.615 1.00 12.24 N ATOM 645 CA VAL A 44 13.082 -5.868 -1.808 1.00 23.01 C ATOM 646 C VAL A 44 12.948 -7.180 -2.574 1.00 32.03 C ATOM 647 O VAL A 44 13.741 -7.474 -3.467 1.00 71.05 O ATOM 648 CB VAL A 44 13.780 -6.142 -0.462 1.00 13.23 C ATOM 649 CG1 VAL A 44 15.125 -6.814 -0.684 1.00 21.40 C ATOM 650 CG2 VAL A 44 13.943 -4.849 0.324 1.00 42.15 C ATOM 0 H VAL A 44 11.537 -5.070 -0.639 1.00 12.24 H new ATOM 0 HA VAL A 44 13.688 -5.172 -2.388 1.00 23.01 H new ATOM 0 HB VAL A 44 13.156 -6.820 0.121 1.00 13.23 H new ATOM 0 HG11 VAL A 44 15.602 -6.999 0.278 1.00 21.40 H new ATOM 0 HG12 VAL A 44 14.977 -7.760 -1.204 1.00 21.40 H new ATOM 0 HG13 VAL A 44 15.761 -6.165 -1.286 1.00 21.40 H new ATOM 0 HG21 VAL A 44 14.438 -5.060 1.272 1.00 42.15 H new ATOM 0 HG22 VAL A 44 14.546 -4.147 -0.252 1.00 42.15 H new ATOM 0 HG23 VAL A 44 12.962 -4.413 0.515 1.00 42.15 H new ATOM 660 N SER A 45 11.936 -7.965 -2.217 1.00 60.15 N ATOM 661 CA SER A 45 11.699 -9.248 -2.868 1.00 74.32 C ATOM 662 C SER A 45 11.300 -9.052 -4.327 1.00 12.23 C ATOM 663 O SER A 45 11.489 -9.938 -5.161 1.00 13.04 O ATOM 664 CB SER A 45 10.607 -10.025 -2.130 1.00 10.14 C ATOM 665 OG SER A 45 10.550 -11.371 -2.571 1.00 3.53 O ATOM 0 H SER A 45 11.268 -7.735 -1.481 1.00 60.15 H new ATOM 0 HA SER A 45 12.627 -9.819 -2.836 1.00 74.32 H new ATOM 0 HB2 SER A 45 10.800 -9.999 -1.057 1.00 10.14 H new ATOM 0 HB3 SER A 45 9.642 -9.545 -2.293 1.00 10.14 H new ATOM 0 HG SER A 45 9.845 -11.846 -2.083 1.00 3.53 H new ATOM 671 N THR A 46 10.746 -7.881 -4.631 1.00 22.24 N ATOM 672 CA THR A 46 10.319 -7.567 -5.988 1.00 1.20 C ATOM 673 C THR A 46 11.372 -6.741 -6.718 1.00 41.45 C ATOM 674 O THR A 46 11.072 -6.060 -7.697 1.00 73.33 O ATOM 675 CB THR A 46 8.985 -6.797 -5.993 1.00 4.22 C ATOM 676 OG1 THR A 46 9.087 -5.634 -5.162 1.00 73.35 O ATOM 677 CG2 THR A 46 7.848 -7.680 -5.499 1.00 43.55 C ATOM 0 H THR A 46 10.583 -7.135 -3.955 1.00 22.24 H new ATOM 0 HA THR A 46 10.184 -8.517 -6.505 1.00 1.20 H new ATOM 0 HB THR A 46 8.770 -6.494 -7.018 1.00 4.22 H new ATOM 0 HG1 THR A 46 8.639 -5.803 -4.307 1.00 73.35 H new ATOM 0 HG21 THR A 46 6.916 -7.114 -5.511 1.00 43.55 H new ATOM 0 HG22 THR A 46 7.753 -8.549 -6.150 1.00 43.55 H new ATOM 0 HG23 THR A 46 8.059 -8.009 -4.482 1.00 43.55 H new ATOM 685 N GLY A 47 12.609 -6.807 -6.235 1.00 13.40 N ATOM 686 CA GLY A 47 13.688 -6.060 -6.855 1.00 64.54 C ATOM 687 C GLY A 47 13.355 -4.591 -7.023 1.00 64.35 C ATOM 688 O GLY A 47 13.863 -3.932 -7.931 1.00 62.41 O ATOM 0 H GLY A 47 12.883 -7.364 -5.426 1.00 13.40 H new ATOM 0 HA2 GLY A 47 14.589 -6.158 -6.249 1.00 64.54 H new ATOM 0 HA3 GLY A 47 13.911 -6.492 -7.830 1.00 64.54 H new ATOM 692 N ARG A 48 12.499 -4.076 -6.147 1.00 53.13 N ATOM 693 CA ARG A 48 12.096 -2.676 -6.205 1.00 2.13 C ATOM 694 C ARG A 48 13.074 -1.798 -5.431 1.00 13.52 C ATOM 695 O ARG A 48 13.595 -2.200 -4.391 1.00 54.52 O ATOM 696 CB ARG A 48 10.684 -2.506 -5.642 1.00 62.22 C ATOM 697 CG ARG A 48 9.906 -1.366 -6.280 1.00 65.24 C ATOM 698 CD ARG A 48 8.406 -1.582 -6.166 1.00 53.04 C ATOM 699 NE ARG A 48 7.723 -1.364 -7.438 1.00 52.23 N ATOM 700 CZ ARG A 48 7.673 -2.267 -8.410 1.00 62.11 C ATOM 701 NH1 ARG A 48 8.262 -3.445 -8.256 1.00 75.10 N ATOM 702 NH2 ARG A 48 7.032 -1.994 -9.540 1.00 61.44 N ATOM 0 H ARG A 48 12.071 -4.607 -5.389 1.00 53.13 H new ATOM 0 HA ARG A 48 12.102 -2.364 -7.249 1.00 2.13 H new ATOM 0 HB2 ARG A 48 10.132 -3.435 -5.783 1.00 62.22 H new ATOM 0 HB3 ARG A 48 10.749 -2.334 -4.568 1.00 62.22 H new ATOM 0 HG2 ARG A 48 10.177 -0.426 -5.799 1.00 65.24 H new ATOM 0 HG3 ARG A 48 10.183 -1.278 -7.331 1.00 65.24 H new ATOM 0 HD2 ARG A 48 8.211 -2.597 -5.819 1.00 53.04 H new ATOM 0 HD3 ARG A 48 7.998 -0.905 -5.415 1.00 53.04 H new ATOM 0 HE ARG A 48 7.259 -0.468 -7.588 1.00 52.23 H new ATOM 0 HH11 ARG A 48 8.755 -3.659 -7.389 1.00 75.10 H new ATOM 0 HH12 ARG A 48 8.222 -4.137 -9.004 1.00 75.10 H new ATOM 0 HH21 ARG A 48 6.577 -1.089 -9.662 1.00 61.44 H new ATOM 0 HH22 ARG A 48 6.995 -2.689 -10.286 1.00 61.44 H new ATOM 716 N GLU A 49 13.317 -0.596 -5.946 1.00 43.12 N ATOM 717 CA GLU A 49 14.234 0.339 -5.303 1.00 52.14 C ATOM 718 C GLU A 49 13.872 0.531 -3.833 1.00 43.35 C ATOM 719 O GLU A 49 12.756 0.246 -3.400 1.00 14.33 O ATOM 720 CB GLU A 49 14.212 1.687 -6.026 1.00 21.24 C ATOM 721 CG GLU A 49 15.441 1.938 -6.883 1.00 2.31 C ATOM 722 CD GLU A 49 15.094 2.491 -8.251 1.00 40.25 C ATOM 723 OE1 GLU A 49 14.558 3.617 -8.317 1.00 32.00 O ATOM 724 OE2 GLU A 49 15.359 1.799 -9.256 1.00 73.33 O ATOM 0 H GLU A 49 12.892 -0.247 -6.805 1.00 43.12 H new ATOM 0 HA GLU A 49 15.239 -0.079 -5.360 1.00 52.14 H new ATOM 0 HB2 GLU A 49 13.324 1.738 -6.656 1.00 21.24 H new ATOM 0 HB3 GLU A 49 14.125 2.484 -5.288 1.00 21.24 H new ATOM 0 HG2 GLU A 49 16.101 2.637 -6.369 1.00 2.31 H new ATOM 0 HG3 GLU A 49 15.994 1.006 -7.001 1.00 2.31 H new ATOM 731 N PRO A 50 14.839 1.025 -3.046 1.00 25.50 N ATOM 732 CA PRO A 50 14.648 1.265 -1.613 1.00 10.21 C ATOM 733 C PRO A 50 13.699 2.429 -1.342 1.00 64.23 C ATOM 734 O PRO A 50 12.786 2.321 -0.524 1.00 53.43 O ATOM 735 CB PRO A 50 16.057 1.599 -1.117 1.00 54.44 C ATOM 736 CG PRO A 50 16.766 2.127 -2.317 1.00 11.23 C ATOM 737 CD PRO A 50 16.195 1.386 -3.494 1.00 75.22 C ATOM 0 HA PRO A 50 14.198 0.407 -1.113 1.00 10.21 H new ATOM 0 HB2 PRO A 50 16.030 2.338 -0.316 1.00 54.44 H new ATOM 0 HB3 PRO A 50 16.556 0.716 -0.719 1.00 54.44 H new ATOM 0 HG2 PRO A 50 16.612 3.201 -2.420 1.00 11.23 H new ATOM 0 HG3 PRO A 50 17.841 1.965 -2.238 1.00 11.23 H new ATOM 0 HD2 PRO A 50 16.170 2.010 -4.388 1.00 75.22 H new ATOM 0 HD3 PRO A 50 16.786 0.503 -3.738 1.00 75.22 H new ATOM 745 N GLY A 51 13.921 3.541 -2.036 1.00 30.21 N ATOM 746 CA GLY A 51 13.077 4.708 -1.857 1.00 42.41 C ATOM 747 C GLY A 51 11.857 4.684 -2.754 1.00 14.44 C ATOM 748 O GLY A 51 11.560 5.665 -3.437 1.00 71.01 O ATOM 0 H GLY A 51 14.670 3.655 -2.719 1.00 30.21 H new ATOM 0 HA2 GLY A 51 12.758 4.765 -0.816 1.00 42.41 H new ATOM 0 HA3 GLY A 51 13.658 5.607 -2.063 1.00 42.41 H new ATOM 752 N ASP A 52 11.147 3.561 -2.756 1.00 30.22 N ATOM 753 CA ASP A 52 9.951 3.413 -3.577 1.00 11.41 C ATOM 754 C ASP A 52 8.715 3.216 -2.706 1.00 31.04 C ATOM 755 O ASP A 52 8.410 2.099 -2.287 1.00 13.11 O ATOM 756 CB ASP A 52 10.108 2.232 -4.535 1.00 74.13 C ATOM 757 CG ASP A 52 10.077 2.659 -5.990 1.00 61.11 C ATOM 758 OD1 ASP A 52 10.636 3.730 -6.307 1.00 21.25 O ATOM 759 OD2 ASP A 52 9.495 1.921 -6.812 1.00 32.25 O ATOM 0 H ASP A 52 11.379 2.739 -2.198 1.00 30.22 H new ATOM 0 HA ASP A 52 9.823 4.327 -4.157 1.00 11.41 H new ATOM 0 HB2 ASP A 52 11.050 1.723 -4.329 1.00 74.13 H new ATOM 0 HB3 ASP A 52 9.310 1.512 -4.353 1.00 74.13 H new ATOM 764 N ILE A 53 8.007 4.308 -2.437 1.00 12.54 N ATOM 765 CA ILE A 53 6.805 4.256 -1.616 1.00 34.25 C ATOM 766 C ILE A 53 5.575 4.682 -2.412 1.00 3.53 C ATOM 767 O ILE A 53 4.981 5.733 -2.167 1.00 53.13 O ATOM 768 CB ILE A 53 6.933 5.153 -0.370 1.00 34.24 C ATOM 769 CG1 ILE A 53 7.528 6.509 -0.752 1.00 3.13 C ATOM 770 CG2 ILE A 53 7.787 4.471 0.688 1.00 41.12 C ATOM 771 CD1 ILE A 53 7.534 7.507 0.385 1.00 62.10 C ATOM 0 H ILE A 53 8.246 5.240 -2.776 1.00 12.54 H new ATOM 0 HA ILE A 53 6.687 3.220 -1.297 1.00 34.25 H new ATOM 0 HB ILE A 53 5.939 5.318 0.046 1.00 34.24 H new ATOM 0 HG12 ILE A 53 8.550 6.363 -1.102 1.00 3.13 H new ATOM 0 HG13 ILE A 53 6.962 6.924 -1.586 1.00 3.13 H new ATOM 0 HG21 ILE A 53 7.868 5.117 1.562 1.00 41.12 H new ATOM 0 HG22 ILE A 53 7.324 3.527 0.976 1.00 41.12 H new ATOM 0 HG23 ILE A 53 8.781 4.279 0.285 1.00 41.12 H new ATOM 0 HD11 ILE A 53 7.970 8.446 0.043 1.00 62.10 H new ATOM 0 HD12 ILE A 53 6.512 7.682 0.721 1.00 62.10 H new ATOM 0 HD13 ILE A 53 8.125 7.113 1.212 1.00 62.10 H new ATOM 783 N PRO A 54 5.183 3.850 -3.387 1.00 72.10 N ATOM 784 CA PRO A 54 4.020 4.119 -4.237 1.00 61.44 C ATOM 785 C PRO A 54 2.705 4.003 -3.475 1.00 51.23 C ATOM 786 O PRO A 54 2.561 3.156 -2.594 1.00 42.01 O ATOM 787 CB PRO A 54 4.111 3.035 -5.315 1.00 11.51 C ATOM 788 CG PRO A 54 4.871 1.926 -4.674 1.00 22.01 C ATOM 789 CD PRO A 54 5.845 2.581 -3.733 1.00 33.51 C ATOM 0 HA PRO A 54 4.030 5.135 -4.632 1.00 61.44 H new ATOM 0 HB2 PRO A 54 3.121 2.706 -5.630 1.00 11.51 H new ATOM 0 HB3 PRO A 54 4.622 3.403 -6.204 1.00 11.51 H new ATOM 0 HG2 PRO A 54 4.202 1.254 -4.137 1.00 22.01 H new ATOM 0 HG3 PRO A 54 5.392 1.327 -5.421 1.00 22.01 H new ATOM 0 HD2 PRO A 54 6.025 1.968 -2.850 1.00 33.51 H new ATOM 0 HD3 PRO A 54 6.812 2.748 -4.208 1.00 33.51 H new ATOM 797 N GLU A 55 1.748 4.858 -3.821 1.00 50.40 N ATOM 798 CA GLU A 55 0.445 4.851 -3.167 1.00 35.23 C ATOM 799 C GLU A 55 -0.681 4.876 -4.197 1.00 71.04 C ATOM 800 O GLU A 55 -1.344 5.896 -4.386 1.00 33.41 O ATOM 801 CB GLU A 55 0.314 6.051 -2.225 1.00 72.45 C ATOM 802 CG GLU A 55 1.552 6.295 -1.377 1.00 13.21 C ATOM 803 CD GLU A 55 2.281 7.567 -1.763 1.00 21.20 C ATOM 804 OE1 GLU A 55 2.951 7.570 -2.817 1.00 31.01 O ATOM 805 OE2 GLU A 55 2.182 8.559 -1.011 1.00 4.23 O ATOM 0 H GLU A 55 1.850 5.564 -4.550 1.00 50.40 H new ATOM 0 HA GLU A 55 0.365 3.932 -2.587 1.00 35.23 H new ATOM 0 HB2 GLU A 55 0.105 6.944 -2.814 1.00 72.45 H new ATOM 0 HB3 GLU A 55 -0.542 5.895 -1.568 1.00 72.45 H new ATOM 0 HG2 GLU A 55 1.264 6.350 -0.327 1.00 13.21 H new ATOM 0 HG3 GLU A 55 2.230 5.447 -1.478 1.00 13.21 H new ATOM 812 N THR A 56 -0.890 3.745 -4.864 1.00 60.23 N ATOM 813 CA THR A 56 -1.932 3.635 -5.876 1.00 52.44 C ATOM 814 C THR A 56 -2.531 2.233 -5.901 1.00 4.12 C ATOM 815 O THR A 56 -1.806 1.238 -5.875 1.00 75.12 O ATOM 816 CB THR A 56 -1.392 3.974 -7.279 1.00 43.21 C ATOM 817 OG1 THR A 56 -0.524 2.930 -7.735 1.00 5.11 O ATOM 818 CG2 THR A 56 -0.639 5.296 -7.263 1.00 51.31 C ATOM 0 H THR A 56 -0.350 2.891 -4.721 1.00 60.23 H new ATOM 0 HA THR A 56 -2.707 4.354 -5.609 1.00 52.44 H new ATOM 0 HB THR A 56 -2.239 4.064 -7.959 1.00 43.21 H new ATOM 0 HG1 THR A 56 -0.186 3.152 -8.628 1.00 5.11 H new ATOM 0 HG21 THR A 56 -0.267 5.515 -8.264 1.00 51.31 H new ATOM 0 HG22 THR A 56 -1.310 6.093 -6.943 1.00 51.31 H new ATOM 0 HG23 THR A 56 0.200 5.228 -6.571 1.00 51.31 H new ATOM 826 N LEU A 57 -3.856 2.162 -5.951 1.00 11.41 N ATOM 827 CA LEU A 57 -4.553 0.881 -5.980 1.00 23.41 C ATOM 828 C LEU A 57 -3.996 -0.017 -7.080 1.00 53.03 C ATOM 829 O LEU A 57 -3.961 -1.240 -6.939 1.00 13.43 O ATOM 830 CB LEU A 57 -6.052 1.097 -6.192 1.00 24.00 C ATOM 831 CG LEU A 57 -6.935 -0.143 -6.056 1.00 13.02 C ATOM 832 CD1 LEU A 57 -7.397 -0.315 -4.617 1.00 75.50 C ATOM 833 CD2 LEU A 57 -8.130 -0.053 -6.994 1.00 40.44 C ATOM 0 H LEU A 57 -4.470 2.976 -5.972 1.00 11.41 H new ATOM 0 HA LEU A 57 -4.396 0.389 -5.020 1.00 23.41 H new ATOM 0 HB2 LEU A 57 -6.396 1.843 -5.476 1.00 24.00 H new ATOM 0 HB3 LEU A 57 -6.201 1.517 -7.187 1.00 24.00 H new ATOM 0 HG LEU A 57 -6.345 -1.017 -6.334 1.00 13.02 H new ATOM 0 HD11 LEU A 57 -8.024 -1.203 -4.540 1.00 75.50 H new ATOM 0 HD12 LEU A 57 -6.529 -0.426 -3.967 1.00 75.50 H new ATOM 0 HD13 LEU A 57 -7.969 0.561 -4.311 1.00 75.50 H new ATOM 0 HD21 LEU A 57 -8.747 -0.944 -6.883 1.00 40.44 H new ATOM 0 HD22 LEU A 57 -8.720 0.830 -6.748 1.00 40.44 H new ATOM 0 HD23 LEU A 57 -7.780 0.020 -8.024 1.00 40.44 H new ATOM 845 N ASP A 58 -3.562 0.598 -8.174 1.00 63.04 N ATOM 846 CA ASP A 58 -3.003 -0.146 -9.298 1.00 11.42 C ATOM 847 C ASP A 58 -1.661 -0.767 -8.926 1.00 25.30 C ATOM 848 O ASP A 58 -1.372 -1.907 -9.290 1.00 2.25 O ATOM 849 CB ASP A 58 -2.836 0.772 -10.511 1.00 25.32 C ATOM 850 CG ASP A 58 -4.148 1.384 -10.958 1.00 11.32 C ATOM 851 OD1 ASP A 58 -4.754 0.858 -11.915 1.00 35.21 O ATOM 852 OD2 ASP A 58 -4.570 2.391 -10.352 1.00 45.22 O ATOM 0 H ASP A 58 -3.586 1.609 -8.307 1.00 63.04 H new ATOM 0 HA ASP A 58 -3.696 -0.949 -9.551 1.00 11.42 H new ATOM 0 HB2 ASP A 58 -2.132 1.567 -10.267 1.00 25.32 H new ATOM 0 HB3 ASP A 58 -2.403 0.205 -11.335 1.00 25.32 H new ATOM 857 N GLN A 59 -0.846 -0.010 -8.199 1.00 44.32 N ATOM 858 CA GLN A 59 0.467 -0.487 -7.780 1.00 24.04 C ATOM 859 C GLN A 59 0.337 -1.603 -6.748 1.00 43.21 C ATOM 860 O GLN A 59 0.876 -2.696 -6.929 1.00 33.02 O ATOM 861 CB GLN A 59 1.291 0.665 -7.200 1.00 54.25 C ATOM 862 CG GLN A 59 2.426 0.208 -6.300 1.00 65.11 C ATOM 863 CD GLN A 59 2.051 0.227 -4.831 1.00 72.31 C ATOM 864 OE1 GLN A 59 2.248 -0.756 -4.116 1.00 44.42 O ATOM 865 NE2 GLN A 59 1.505 1.347 -4.374 1.00 1.33 N ATOM 0 H GLN A 59 -1.071 0.935 -7.888 1.00 44.32 H new ATOM 0 HA GLN A 59 0.978 -0.885 -8.657 1.00 24.04 H new ATOM 0 HB2 GLN A 59 1.703 1.254 -8.019 1.00 54.25 H new ATOM 0 HB3 GLN A 59 0.632 1.323 -6.634 1.00 54.25 H new ATOM 0 HG2 GLN A 59 2.724 -0.802 -6.582 1.00 65.11 H new ATOM 0 HG3 GLN A 59 3.292 0.851 -6.458 1.00 65.11 H new ATOM 0 HE21 GLN A 59 1.360 2.137 -5.003 1.00 1.33 H new ATOM 0 HE22 GLN A 59 1.230 1.418 -3.394 1.00 1.33 H new ATOM 874 N LEU A 60 -0.380 -1.321 -5.666 1.00 75.12 N ATOM 875 CA LEU A 60 -0.581 -2.302 -4.605 1.00 14.54 C ATOM 876 C LEU A 60 -1.091 -3.623 -5.173 1.00 43.54 C ATOM 877 O LEU A 60 -0.649 -4.696 -4.764 1.00 12.12 O ATOM 878 CB LEU A 60 -1.570 -1.764 -3.569 1.00 22.51 C ATOM 879 CG LEU A 60 -1.022 -1.575 -2.154 1.00 24.44 C ATOM 880 CD1 LEU A 60 -0.354 -2.852 -1.665 1.00 52.23 C ATOM 881 CD2 LEU A 60 -0.044 -0.410 -2.110 1.00 33.10 C ATOM 0 H LEU A 60 -0.832 -0.422 -5.500 1.00 75.12 H new ATOM 0 HA LEU A 60 0.380 -2.482 -4.123 1.00 14.54 H new ATOM 0 HB2 LEU A 60 -1.949 -0.805 -3.922 1.00 22.51 H new ATOM 0 HB3 LEU A 60 -2.420 -2.444 -3.520 1.00 22.51 H new ATOM 0 HG LEU A 60 -1.856 -1.348 -1.491 1.00 24.44 H new ATOM 0 HD11 LEU A 60 0.030 -2.699 -0.656 1.00 52.23 H new ATOM 0 HD12 LEU A 60 -1.082 -3.663 -1.657 1.00 52.23 H new ATOM 0 HD13 LEU A 60 0.469 -3.110 -2.331 1.00 52.23 H new ATOM 0 HD21 LEU A 60 0.335 -0.291 -1.095 1.00 33.10 H new ATOM 0 HD22 LEU A 60 0.787 -0.607 -2.787 1.00 33.10 H new ATOM 0 HD23 LEU A 60 -0.553 0.504 -2.416 1.00 33.10 H new ATOM 893 N ARG A 61 -2.020 -3.534 -6.119 1.00 23.22 N ATOM 894 CA ARG A 61 -2.588 -4.722 -6.744 1.00 74.52 C ATOM 895 C ARG A 61 -1.515 -5.513 -7.487 1.00 22.02 C ATOM 896 O ARG A 61 -1.404 -6.729 -7.330 1.00 41.14 O ATOM 897 CB ARG A 61 -3.708 -4.331 -7.710 1.00 11.10 C ATOM 898 CG ARG A 61 -4.214 -5.487 -8.556 1.00 34.55 C ATOM 899 CD ARG A 61 -5.264 -5.028 -9.556 1.00 33.11 C ATOM 900 NE ARG A 61 -4.723 -4.923 -10.908 1.00 43.14 N ATOM 901 CZ ARG A 61 -5.477 -4.892 -12.002 1.00 44.32 C ATOM 902 NH1 ARG A 61 -6.797 -4.956 -11.902 1.00 34.31 N ATOM 903 NH2 ARG A 61 -4.910 -4.795 -13.197 1.00 72.21 N ATOM 0 H ARG A 61 -2.395 -2.652 -6.469 1.00 23.22 H new ATOM 0 HA ARG A 61 -3.000 -5.353 -5.956 1.00 74.52 H new ATOM 0 HB2 ARG A 61 -4.540 -3.918 -7.140 1.00 11.10 H new ATOM 0 HB3 ARG A 61 -3.349 -3.540 -8.368 1.00 11.10 H new ATOM 0 HG2 ARG A 61 -3.379 -5.943 -9.087 1.00 34.55 H new ATOM 0 HG3 ARG A 61 -4.638 -6.255 -7.909 1.00 34.55 H new ATOM 0 HD2 ARG A 61 -6.098 -5.729 -9.553 1.00 33.11 H new ATOM 0 HD3 ARG A 61 -5.660 -4.060 -9.248 1.00 33.11 H new ATOM 0 HE ARG A 61 -3.710 -4.871 -11.019 1.00 43.14 H new ATOM 0 HH11 ARG A 61 -7.236 -5.029 -10.984 1.00 34.31 H new ATOM 0 HH12 ARG A 61 -7.374 -4.932 -12.743 1.00 34.31 H new ATOM 0 HH21 ARG A 61 -3.894 -4.744 -13.277 1.00 72.21 H new ATOM 0 HH22 ARG A 61 -5.490 -4.771 -14.036 1.00 72.21 H new ATOM 917 N LEU A 62 -0.726 -4.813 -8.296 1.00 22.22 N ATOM 918 CA LEU A 62 0.339 -5.449 -9.063 1.00 42.22 C ATOM 919 C LEU A 62 1.388 -6.057 -8.138 1.00 71.44 C ATOM 920 O LEU A 62 1.846 -7.180 -8.354 1.00 54.04 O ATOM 921 CB LEU A 62 0.996 -4.433 -9.999 1.00 50.25 C ATOM 922 CG LEU A 62 1.486 -4.977 -11.342 1.00 42.11 C ATOM 923 CD1 LEU A 62 0.321 -5.162 -12.300 1.00 70.12 C ATOM 924 CD2 LEU A 62 2.532 -4.048 -11.943 1.00 41.12 C ATOM 0 H LEU A 62 -0.804 -3.806 -8.437 1.00 22.22 H new ATOM 0 HA LEU A 62 -0.103 -6.249 -9.657 1.00 42.22 H new ATOM 0 HB2 LEU A 62 0.282 -3.632 -10.193 1.00 50.25 H new ATOM 0 HB3 LEU A 62 1.844 -3.986 -9.480 1.00 50.25 H new ATOM 0 HG LEU A 62 1.947 -5.950 -11.172 1.00 42.11 H new ATOM 0 HD11 LEU A 62 0.689 -5.550 -13.250 1.00 70.12 H new ATOM 0 HD12 LEU A 62 -0.393 -5.866 -11.873 1.00 70.12 H new ATOM 0 HD13 LEU A 62 -0.170 -4.203 -12.465 1.00 70.12 H new ATOM 0 HD21 LEU A 62 2.870 -4.450 -12.898 1.00 41.12 H new ATOM 0 HD22 LEU A 62 2.096 -3.061 -12.098 1.00 41.12 H new ATOM 0 HD23 LEU A 62 3.380 -3.967 -11.263 1.00 41.12 H new ATOM 936 N VAL A 63 1.763 -5.311 -7.105 1.00 62.13 N ATOM 937 CA VAL A 63 2.756 -5.778 -6.145 1.00 24.52 C ATOM 938 C VAL A 63 2.358 -7.126 -5.555 1.00 71.43 C ATOM 939 O VAL A 63 3.188 -8.028 -5.424 1.00 55.44 O ATOM 940 CB VAL A 63 2.948 -4.766 -4.999 1.00 60.32 C ATOM 941 CG1 VAL A 63 3.984 -5.273 -4.007 1.00 44.05 C ATOM 942 CG2 VAL A 63 3.347 -3.406 -5.551 1.00 72.33 C ATOM 0 H VAL A 63 1.394 -4.380 -6.911 1.00 62.13 H new ATOM 0 HA VAL A 63 3.695 -5.885 -6.688 1.00 24.52 H new ATOM 0 HB VAL A 63 2.000 -4.655 -4.473 1.00 60.32 H new ATOM 0 HG11 VAL A 63 4.106 -4.545 -3.205 1.00 44.05 H new ATOM 0 HG12 VAL A 63 3.652 -6.223 -3.588 1.00 44.05 H new ATOM 0 HG13 VAL A 63 4.937 -5.415 -4.517 1.00 44.05 H new ATOM 0 HG21 VAL A 63 3.478 -2.704 -4.728 1.00 72.33 H new ATOM 0 HG22 VAL A 63 4.283 -3.498 -6.103 1.00 72.33 H new ATOM 0 HG23 VAL A 63 2.566 -3.041 -6.218 1.00 72.33 H new ATOM 952 N ILE A 64 1.084 -7.259 -5.201 1.00 60.04 N ATOM 953 CA ILE A 64 0.576 -8.499 -4.627 1.00 0.44 C ATOM 954 C ILE A 64 0.732 -9.661 -5.602 1.00 42.40 C ATOM 955 O ILE A 64 1.291 -10.702 -5.258 1.00 25.23 O ATOM 956 CB ILE A 64 -0.907 -8.370 -4.232 1.00 71.01 C ATOM 957 CG1 ILE A 64 -1.089 -7.252 -3.203 1.00 60.32 C ATOM 958 CG2 ILE A 64 -1.426 -9.692 -3.686 1.00 2.50 C ATOM 959 CD1 ILE A 64 -2.444 -6.584 -3.269 1.00 63.44 C ATOM 0 H ILE A 64 0.385 -6.523 -5.302 1.00 60.04 H new ATOM 0 HA ILE A 64 1.166 -8.698 -3.732 1.00 0.44 H new ATOM 0 HB ILE A 64 -1.484 -8.115 -5.121 1.00 71.01 H new ATOM 0 HG12 ILE A 64 -0.944 -7.662 -2.204 1.00 60.32 H new ATOM 0 HG13 ILE A 64 -0.315 -6.500 -3.355 1.00 60.32 H new ATOM 0 HG21 ILE A 64 -2.475 -9.585 -3.411 1.00 2.50 H new ATOM 0 HG22 ILE A 64 -1.327 -10.464 -4.449 1.00 2.50 H new ATOM 0 HG23 ILE A 64 -0.847 -9.975 -2.806 1.00 2.50 H new ATOM 0 HD11 ILE A 64 -2.502 -5.802 -2.511 1.00 63.44 H new ATOM 0 HD12 ILE A 64 -2.585 -6.144 -4.256 1.00 63.44 H new ATOM 0 HD13 ILE A 64 -3.224 -7.324 -3.087 1.00 63.44 H new ATOM 971 N CYS A 65 0.237 -9.474 -6.820 1.00 31.02 N ATOM 972 CA CYS A 65 0.322 -10.506 -7.846 1.00 54.04 C ATOM 973 C CYS A 65 1.773 -10.905 -8.097 1.00 75.02 C ATOM 974 O CYS A 65 2.059 -12.044 -8.468 1.00 1.40 O ATOM 975 CB CYS A 65 -0.317 -10.016 -9.147 1.00 64.55 C ATOM 976 SG CYS A 65 -2.093 -10.335 -9.262 1.00 30.10 S ATOM 0 H CYS A 65 -0.227 -8.617 -7.121 1.00 31.02 H new ATOM 0 HA CYS A 65 -0.221 -11.382 -7.491 1.00 54.04 H new ATOM 0 HB2 CYS A 65 -0.144 -8.944 -9.243 1.00 64.55 H new ATOM 0 HB3 CYS A 65 0.183 -10.496 -9.988 1.00 64.55 H new ATOM 0 HG CYS A 65 -2.543 -9.883 -10.395 1.00 30.10 H new ATOM 982 N ASP A 66 2.684 -9.960 -7.895 1.00 53.24 N ATOM 983 CA ASP A 66 4.106 -10.211 -8.101 1.00 23.55 C ATOM 984 C ASP A 66 4.673 -11.073 -6.976 1.00 73.31 C ATOM 985 O ASP A 66 5.162 -12.179 -7.213 1.00 12.45 O ATOM 986 CB ASP A 66 4.872 -8.890 -8.184 1.00 63.44 C ATOM 987 CG ASP A 66 4.358 -7.991 -9.289 1.00 34.13 C ATOM 988 OD1 ASP A 66 3.493 -8.443 -10.069 1.00 64.12 O ATOM 989 OD2 ASP A 66 4.817 -6.833 -9.373 1.00 55.20 O ATOM 0 H ASP A 66 2.463 -9.012 -7.589 1.00 53.24 H new ATOM 0 HA ASP A 66 4.223 -10.749 -9.042 1.00 23.55 H new ATOM 0 HB2 ASP A 66 4.795 -8.368 -7.230 1.00 63.44 H new ATOM 0 HB3 ASP A 66 5.929 -9.096 -8.350 1.00 63.44 H new ATOM 994 N LEU A 67 4.605 -10.560 -5.753 1.00 44.31 N ATOM 995 CA LEU A 67 5.112 -11.282 -4.591 1.00 51.40 C ATOM 996 C LEU A 67 4.525 -12.688 -4.525 1.00 11.21 C ATOM 997 O LEU A 67 5.223 -13.647 -4.194 1.00 14.02 O ATOM 998 CB LEU A 67 4.782 -10.519 -3.308 1.00 2.53 C ATOM 999 CG LEU A 67 5.926 -10.367 -2.304 1.00 11.33 C ATOM 1000 CD1 LEU A 67 5.433 -9.696 -1.030 1.00 73.45 C ATOM 1001 CD2 LEU A 67 6.544 -11.721 -1.991 1.00 71.40 C ATOM 0 H LEU A 67 4.204 -9.647 -5.540 1.00 44.31 H new ATOM 0 HA LEU A 67 6.194 -11.364 -4.689 1.00 51.40 H new ATOM 0 HB2 LEU A 67 4.430 -9.524 -3.581 1.00 2.53 H new ATOM 0 HB3 LEU A 67 3.954 -11.025 -2.811 1.00 2.53 H new ATOM 0 HG LEU A 67 6.693 -9.734 -2.750 1.00 11.33 H new ATOM 0 HD11 LEU A 67 6.261 -9.596 -0.328 1.00 73.45 H new ATOM 0 HD12 LEU A 67 5.038 -8.708 -1.268 1.00 73.45 H new ATOM 0 HD13 LEU A 67 4.647 -10.302 -0.580 1.00 73.45 H new ATOM 0 HD21 LEU A 67 7.356 -11.594 -1.275 1.00 71.40 H new ATOM 0 HD22 LEU A 67 5.785 -12.378 -1.566 1.00 71.40 H new ATOM 0 HD23 LEU A 67 6.934 -12.163 -2.908 1.00 71.40 H new ATOM 1013 N GLN A 68 3.240 -12.803 -4.844 1.00 23.14 N ATOM 1014 CA GLN A 68 2.561 -14.093 -4.822 1.00 14.11 C ATOM 1015 C GLN A 68 3.063 -14.992 -5.946 1.00 75.01 C ATOM 1016 O GLN A 68 3.347 -16.170 -5.730 1.00 74.22 O ATOM 1017 CB GLN A 68 1.048 -13.898 -4.945 1.00 52.10 C ATOM 1018 CG GLN A 68 0.238 -15.032 -4.339 1.00 33.44 C ATOM 1019 CD GLN A 68 -0.216 -16.044 -5.372 1.00 40.02 C ATOM 1020 OE1 GLN A 68 0.591 -16.563 -6.145 1.00 22.25 O ATOM 1021 NE2 GLN A 68 -1.512 -16.331 -5.393 1.00 3.42 N ATOM 0 H GLN A 68 2.649 -12.019 -5.121 1.00 23.14 H new ATOM 0 HA GLN A 68 2.782 -14.576 -3.870 1.00 14.11 H new ATOM 0 HB2 GLN A 68 0.770 -12.963 -4.458 1.00 52.10 H new ATOM 0 HB3 GLN A 68 0.787 -13.799 -5.999 1.00 52.10 H new ATOM 0 HG2 GLN A 68 0.837 -15.537 -3.581 1.00 33.44 H new ATOM 0 HG3 GLN A 68 -0.635 -14.619 -3.833 1.00 33.44 H new ATOM 0 HE21 GLN A 68 -2.145 -15.878 -4.734 1.00 3.42 H new ATOM 0 HE22 GLN A 68 -1.874 -17.005 -6.068 1.00 3.42 H new ATOM 1030 N GLU A 69 3.169 -14.429 -7.145 1.00 44.21 N ATOM 1031 CA GLU A 69 3.637 -15.181 -8.303 1.00 62.14 C ATOM 1032 C GLU A 69 4.963 -15.874 -8.004 1.00 24.34 C ATOM 1033 O GLU A 69 5.187 -17.014 -8.412 1.00 2.43 O ATOM 1034 CB GLU A 69 3.795 -14.256 -9.512 1.00 13.32 C ATOM 1035 CG GLU A 69 4.353 -14.951 -10.742 1.00 0.10 C ATOM 1036 CD GLU A 69 4.063 -14.192 -12.023 1.00 23.22 C ATOM 1037 OE1 GLU A 69 4.943 -14.166 -12.908 1.00 63.54 O ATOM 1038 OE2 GLU A 69 2.958 -13.624 -12.139 1.00 74.10 O ATOM 0 H GLU A 69 2.937 -13.455 -7.340 1.00 44.21 H new ATOM 0 HA GLU A 69 2.892 -15.943 -8.532 1.00 62.14 H new ATOM 0 HB2 GLU A 69 2.825 -13.825 -9.758 1.00 13.32 H new ATOM 0 HB3 GLU A 69 4.452 -13.429 -9.243 1.00 13.32 H new ATOM 0 HG2 GLU A 69 5.431 -15.069 -10.630 1.00 0.10 H new ATOM 0 HG3 GLU A 69 3.928 -15.952 -10.813 1.00 0.10 H new ATOM 1045 N ARG A 70 5.839 -15.176 -7.287 1.00 63.43 N ATOM 1046 CA ARG A 70 7.144 -15.723 -6.934 1.00 23.01 C ATOM 1047 C ARG A 70 7.007 -16.823 -5.885 1.00 33.23 C ATOM 1048 O ARG A 70 7.613 -17.887 -6.004 1.00 53.25 O ATOM 1049 CB ARG A 70 8.059 -14.615 -6.409 1.00 44.14 C ATOM 1050 CG ARG A 70 8.873 -13.931 -7.495 1.00 72.11 C ATOM 1051 CD ARG A 70 10.345 -14.301 -7.404 1.00 53.34 C ATOM 1052 NE ARG A 70 10.962 -14.421 -8.723 1.00 13.32 N ATOM 1053 CZ ARG A 70 11.270 -13.378 -9.488 1.00 34.14 C ATOM 1054 NH1 ARG A 70 11.019 -12.146 -9.067 1.00 21.15 N ATOM 1055 NH2 ARG A 70 11.829 -13.567 -10.676 1.00 21.44 N ATOM 0 H ARG A 70 5.669 -14.232 -6.940 1.00 63.43 H new ATOM 0 HA ARG A 70 7.585 -16.155 -7.833 1.00 23.01 H new ATOM 0 HB2 ARG A 70 7.453 -13.868 -5.896 1.00 44.14 H new ATOM 0 HB3 ARG A 70 8.739 -15.037 -5.669 1.00 44.14 H new ATOM 0 HG2 ARG A 70 8.486 -14.213 -8.474 1.00 72.11 H new ATOM 0 HG3 ARG A 70 8.762 -12.850 -7.408 1.00 72.11 H new ATOM 0 HD2 ARG A 70 10.874 -13.545 -6.824 1.00 53.34 H new ATOM 0 HD3 ARG A 70 10.449 -15.244 -6.868 1.00 53.34 H new ATOM 0 HE ARG A 70 11.168 -15.356 -9.076 1.00 13.32 H new ATOM 0 HH11 ARG A 70 10.589 -11.997 -8.154 1.00 21.15 H new ATOM 0 HH12 ARG A 70 11.256 -11.348 -9.656 1.00 21.15 H new ATOM 0 HH21 ARG A 70 12.023 -14.513 -11.004 1.00 21.44 H new ATOM 0 HH22 ARG A 70 12.065 -12.766 -11.262 1.00 21.44 H new ATOM 1069 N ARG A 71 6.207 -16.557 -4.857 1.00 32.32 N ATOM 1070 CA ARG A 71 5.992 -17.523 -3.788 1.00 24.44 C ATOM 1071 C ARG A 71 5.545 -18.869 -4.351 1.00 74.01 C ATOM 1072 O ARG A 71 5.987 -19.922 -3.892 1.00 14.15 O ATOM 1073 CB ARG A 71 4.945 -17.000 -2.801 1.00 44.53 C ATOM 1074 CG ARG A 71 4.913 -17.763 -1.487 1.00 2.22 C ATOM 1075 CD ARG A 71 3.619 -18.546 -1.330 1.00 11.41 C ATOM 1076 NE ARG A 71 2.443 -17.688 -1.441 1.00 30.02 N ATOM 1077 CZ ARG A 71 1.199 -18.116 -1.250 1.00 41.14 C ATOM 1078 NH1 ARG A 71 0.972 -19.384 -0.940 1.00 30.35 N ATOM 1079 NH2 ARG A 71 0.181 -17.273 -1.370 1.00 60.44 N ATOM 0 H ARG A 71 5.698 -15.681 -4.743 1.00 32.32 H new ATOM 0 HA ARG A 71 6.938 -17.663 -3.265 1.00 24.44 H new ATOM 0 HB2 ARG A 71 5.145 -15.948 -2.596 1.00 44.53 H new ATOM 0 HB3 ARG A 71 3.961 -17.053 -3.266 1.00 44.53 H new ATOM 0 HG2 ARG A 71 5.761 -18.446 -1.441 1.00 2.22 H new ATOM 0 HG3 ARG A 71 5.020 -17.065 -0.657 1.00 2.22 H new ATOM 0 HD2 ARG A 71 3.572 -19.325 -2.091 1.00 11.41 H new ATOM 0 HD3 ARG A 71 3.613 -19.046 -0.361 1.00 11.41 H new ATOM 0 HE ARG A 71 2.584 -16.706 -1.678 1.00 30.02 H new ATOM 0 HH11 ARG A 71 1.753 -20.034 -0.847 1.00 30.35 H new ATOM 0 HH12 ARG A 71 0.017 -19.710 -0.794 1.00 30.35 H new ATOM 0 HH21 ARG A 71 0.353 -16.296 -1.609 1.00 60.44 H new ATOM 0 HH22 ARG A 71 -0.773 -17.602 -1.223 1.00 60.44 H new ATOM 1093 N GLU A 72 4.668 -18.825 -5.349 1.00 13.24 N ATOM 1094 CA GLU A 72 4.161 -20.041 -5.975 1.00 3.03 C ATOM 1095 C GLU A 72 5.258 -20.739 -6.773 1.00 34.31 C ATOM 1096 O GLU A 72 5.481 -21.941 -6.625 1.00 22.42 O ATOM 1097 CB GLU A 72 2.977 -19.717 -6.887 1.00 51.24 C ATOM 1098 CG GLU A 72 1.627 -19.854 -6.206 1.00 20.22 C ATOM 1099 CD GLU A 72 1.096 -21.275 -6.241 1.00 44.45 C ATOM 1100 OE1 GLU A 72 1.181 -21.912 -7.313 1.00 21.23 O ATOM 1101 OE2 GLU A 72 0.598 -21.749 -5.200 1.00 22.11 O ATOM 0 H GLU A 72 4.294 -17.961 -5.741 1.00 13.24 H new ATOM 0 HA GLU A 72 3.826 -20.714 -5.185 1.00 3.03 H new ATOM 0 HB2 GLU A 72 3.085 -18.698 -7.259 1.00 51.24 H new ATOM 0 HB3 GLU A 72 3.006 -20.378 -7.754 1.00 51.24 H new ATOM 0 HG2 GLU A 72 1.713 -19.528 -5.170 1.00 20.22 H new ATOM 0 HG3 GLU A 72 0.911 -19.191 -6.691 1.00 20.22 H new ATOM 1108 N LYS A 73 5.940 -19.978 -7.622 1.00 14.02 N ATOM 1109 CA LYS A 73 7.014 -20.521 -8.445 1.00 15.10 C ATOM 1110 C LYS A 73 8.024 -21.279 -7.590 1.00 62.41 C ATOM 1111 O LYS A 73 8.653 -22.232 -8.052 1.00 54.41 O ATOM 1112 CB LYS A 73 7.717 -19.397 -9.209 1.00 32.22 C ATOM 1113 CG LYS A 73 6.904 -18.848 -10.369 1.00 63.01 C ATOM 1114 CD LYS A 73 6.960 -19.772 -11.574 1.00 51.12 C ATOM 1115 CE LYS A 73 6.370 -19.111 -12.810 1.00 55.50 C ATOM 1116 NZ LYS A 73 5.589 -20.074 -13.635 1.00 54.40 N ATOM 0 H LYS A 73 5.768 -18.982 -7.758 1.00 14.02 H new ATOM 0 HA LYS A 73 6.574 -21.217 -9.159 1.00 15.10 H new ATOM 0 HB2 LYS A 73 7.942 -18.585 -8.518 1.00 32.22 H new ATOM 0 HB3 LYS A 73 8.670 -19.767 -9.587 1.00 32.22 H new ATOM 0 HG2 LYS A 73 5.868 -18.716 -10.058 1.00 63.01 H new ATOM 0 HG3 LYS A 73 7.282 -17.864 -10.646 1.00 63.01 H new ATOM 0 HD2 LYS A 73 7.994 -20.054 -11.770 1.00 51.12 H new ATOM 0 HD3 LYS A 73 6.415 -20.690 -11.356 1.00 51.12 H new ATOM 0 HE2 LYS A 73 5.725 -18.286 -12.508 1.00 55.50 H new ATOM 0 HE3 LYS A 73 7.173 -18.685 -13.412 1.00 55.50 H new ATOM 0 HZ1 LYS A 73 5.204 -19.585 -14.468 1.00 54.40 H new ATOM 0 HZ2 LYS A 73 6.210 -20.849 -13.945 1.00 54.40 H new ATOM 0 HZ3 LYS A 73 4.808 -20.462 -13.069 1.00 54.40 H new ATOM 1130 N PHE A 74 8.174 -20.852 -6.341 1.00 14.21 N ATOM 1131 CA PHE A 74 9.108 -21.491 -5.421 1.00 33.01 C ATOM 1132 C PHE A 74 8.404 -22.555 -4.584 1.00 60.52 C ATOM 1133 O PHE A 74 9.029 -23.507 -4.118 1.00 53.42 O ATOM 1134 CB PHE A 74 9.749 -20.447 -4.505 1.00 0.12 C ATOM 1135 CG PHE A 74 10.883 -20.987 -3.680 1.00 73.14 C ATOM 1136 CD1 PHE A 74 12.014 -21.504 -4.290 1.00 45.11 C ATOM 1137 CD2 PHE A 74 10.815 -20.980 -2.297 1.00 4.01 C ATOM 1138 CE1 PHE A 74 13.060 -22.002 -3.535 1.00 33.33 C ATOM 1139 CE2 PHE A 74 11.858 -21.476 -1.536 1.00 40.33 C ATOM 1140 CZ PHE A 74 12.981 -21.989 -2.157 1.00 12.15 C ATOM 0 H PHE A 74 7.661 -20.066 -5.942 1.00 14.21 H new ATOM 0 HA PHE A 74 9.887 -21.974 -6.011 1.00 33.01 H new ATOM 0 HB2 PHE A 74 10.114 -19.619 -5.112 1.00 0.12 H new ATOM 0 HB3 PHE A 74 8.987 -20.043 -3.839 1.00 0.12 H new ATOM 0 HD1 PHE A 74 12.080 -21.518 -5.368 1.00 45.11 H new ATOM 0 HD2 PHE A 74 9.938 -20.583 -1.807 1.00 4.01 H new ATOM 0 HE1 PHE A 74 13.937 -22.400 -4.023 1.00 33.33 H new ATOM 0 HE2 PHE A 74 11.795 -21.462 -0.458 1.00 40.33 H new ATOM 0 HZ PHE A 74 13.796 -22.379 -1.565 1.00 12.15 H new ATOM 1150 N GLY A 75 7.099 -22.386 -4.397 1.00 44.31 N ATOM 1151 CA GLY A 75 6.332 -23.338 -3.616 1.00 51.12 C ATOM 1152 C GLY A 75 5.401 -22.662 -2.628 1.00 42.45 C ATOM 1153 O GLY A 75 4.233 -22.422 -2.930 1.00 0.25 O ATOM 0 H GLY A 75 6.559 -21.606 -4.773 1.00 44.31 H new ATOM 0 HA2 GLY A 75 5.749 -23.968 -4.288 1.00 51.12 H new ATOM 0 HA3 GLY A 75 7.015 -23.994 -3.076 1.00 51.12 H new ATOM 1157 N SER A 76 5.921 -22.356 -1.444 1.00 1.53 N ATOM 1158 CA SER A 76 5.128 -21.708 -0.405 1.00 71.30 C ATOM 1159 C SER A 76 6.028 -21.054 0.638 1.00 52.55 C ATOM 1160 O SER A 76 7.240 -21.272 0.653 1.00 73.11 O ATOM 1161 CB SER A 76 4.203 -22.724 0.268 1.00 65.41 C ATOM 1162 OG SER A 76 4.158 -23.937 -0.464 1.00 44.04 O ATOM 0 H SER A 76 6.888 -22.546 -1.180 1.00 1.53 H new ATOM 0 HA SER A 76 4.524 -20.932 -0.875 1.00 71.30 H new ATOM 0 HB2 SER A 76 4.550 -22.921 1.282 1.00 65.41 H new ATOM 0 HB3 SER A 76 3.199 -22.308 0.350 1.00 65.41 H new ATOM 0 HG SER A 76 3.561 -24.570 -0.012 1.00 44.04 H new ATOM 1168 N SER A 77 5.427 -20.250 1.509 1.00 42.24 N ATOM 1169 CA SER A 77 6.174 -19.559 2.554 1.00 2.31 C ATOM 1170 C SER A 77 5.236 -18.760 3.454 1.00 60.11 C ATOM 1171 O SER A 77 4.423 -17.968 2.977 1.00 61.10 O ATOM 1172 CB SER A 77 7.219 -18.630 1.934 1.00 1.20 C ATOM 1173 OG SER A 77 7.695 -17.692 2.884 1.00 51.43 O ATOM 0 H SER A 77 4.425 -20.061 1.512 1.00 42.24 H new ATOM 0 HA SER A 77 6.680 -20.309 3.161 1.00 2.31 H new ATOM 0 HB2 SER A 77 8.052 -19.219 1.551 1.00 1.20 H new ATOM 0 HB3 SER A 77 6.784 -18.103 1.085 1.00 1.20 H new ATOM 0 HG SER A 77 8.661 -17.575 2.772 1.00 51.43 H new ATOM 1179 N LYS A 78 5.356 -18.973 4.760 1.00 71.24 N ATOM 1180 CA LYS A 78 4.522 -18.273 5.730 1.00 51.31 C ATOM 1181 C LYS A 78 4.806 -16.774 5.711 1.00 63.25 C ATOM 1182 O LYS A 78 3.885 -15.960 5.683 1.00 60.10 O ATOM 1183 CB LYS A 78 4.761 -18.830 7.135 1.00 33.31 C ATOM 1184 CG LYS A 78 3.615 -18.565 8.096 1.00 25.22 C ATOM 1185 CD LYS A 78 2.489 -19.568 7.913 1.00 3.00 C ATOM 1186 CE LYS A 78 2.390 -20.520 9.096 1.00 44.42 C ATOM 1187 NZ LYS A 78 1.810 -19.855 10.295 1.00 44.44 N ATOM 0 H LYS A 78 6.023 -19.625 5.171 1.00 71.24 H new ATOM 0 HA LYS A 78 3.479 -18.431 5.456 1.00 51.31 H new ATOM 0 HB2 LYS A 78 4.926 -19.905 7.067 1.00 33.31 H new ATOM 0 HB3 LYS A 78 5.673 -18.392 7.540 1.00 33.31 H new ATOM 0 HG2 LYS A 78 3.981 -18.611 9.122 1.00 25.22 H new ATOM 0 HG3 LYS A 78 3.234 -17.556 7.939 1.00 25.22 H new ATOM 0 HD2 LYS A 78 1.544 -19.038 7.792 1.00 3.00 H new ATOM 0 HD3 LYS A 78 2.654 -20.138 6.999 1.00 3.00 H new ATOM 0 HE2 LYS A 78 1.774 -21.377 8.822 1.00 44.42 H new ATOM 0 HE3 LYS A 78 3.381 -20.904 9.337 1.00 44.42 H new ATOM 0 HZ1 LYS A 78 1.759 -20.536 11.079 1.00 44.44 H new ATOM 0 HZ2 LYS A 78 2.411 -19.053 10.572 1.00 44.44 H new ATOM 0 HZ3 LYS A 78 0.854 -19.511 10.073 1.00 44.44 H new ATOM 1201 N GLU A 79 6.087 -16.420 5.725 1.00 2.22 N ATOM 1202 CA GLU A 79 6.492 -15.018 5.708 1.00 30.55 C ATOM 1203 C GLU A 79 5.980 -14.319 4.453 1.00 12.14 C ATOM 1204 O GLU A 79 5.339 -13.270 4.531 1.00 3.11 O ATOM 1205 CB GLU A 79 8.015 -14.902 5.785 1.00 62.53 C ATOM 1206 CG GLU A 79 8.605 -15.468 7.067 1.00 62.04 C ATOM 1207 CD GLU A 79 10.079 -15.146 7.222 1.00 11.41 C ATOM 1208 OE1 GLU A 79 10.906 -16.068 7.073 1.00 72.41 O ATOM 1209 OE2 GLU A 79 10.404 -13.971 7.493 1.00 12.23 O ATOM 0 H GLU A 79 6.862 -17.083 5.748 1.00 2.22 H new ATOM 0 HA GLU A 79 6.054 -14.530 6.579 1.00 30.55 H new ATOM 0 HB2 GLU A 79 8.454 -15.421 4.933 1.00 62.53 H new ATOM 0 HB3 GLU A 79 8.296 -13.852 5.698 1.00 62.53 H new ATOM 0 HG2 GLU A 79 8.058 -15.069 7.921 1.00 62.04 H new ATOM 0 HG3 GLU A 79 8.470 -16.550 7.078 1.00 62.04 H new ATOM 1216 N ILE A 80 6.266 -14.907 3.297 1.00 43.03 N ATOM 1217 CA ILE A 80 5.836 -14.342 2.025 1.00 40.42 C ATOM 1218 C ILE A 80 4.320 -14.189 1.976 1.00 0.44 C ATOM 1219 O ILE A 80 3.803 -13.132 1.612 1.00 0.55 O ATOM 1220 CB ILE A 80 6.290 -15.212 0.838 1.00 30.31 C ATOM 1221 CG1 ILE A 80 7.811 -15.379 0.852 1.00 31.01 C ATOM 1222 CG2 ILE A 80 5.831 -14.600 -0.476 1.00 4.53 C ATOM 1223 CD1 ILE A 80 8.316 -16.406 -0.137 1.00 22.23 C ATOM 0 H ILE A 80 6.794 -15.776 3.215 1.00 43.03 H new ATOM 0 HA ILE A 80 6.302 -13.360 1.944 1.00 40.42 H new ATOM 0 HB ILE A 80 5.834 -16.197 0.935 1.00 30.31 H new ATOM 0 HG12 ILE A 80 8.276 -14.417 0.634 1.00 31.01 H new ATOM 0 HG13 ILE A 80 8.128 -15.666 1.855 1.00 31.01 H new ATOM 0 HG21 ILE A 80 6.160 -15.227 -1.304 1.00 4.53 H new ATOM 0 HG22 ILE A 80 4.743 -14.530 -0.484 1.00 4.53 H new ATOM 0 HG23 ILE A 80 6.260 -13.604 -0.583 1.00 4.53 H new ATOM 0 HD11 ILE A 80 9.402 -16.471 -0.071 1.00 22.23 H new ATOM 0 HD12 ILE A 80 7.880 -17.378 0.093 1.00 22.23 H new ATOM 0 HD13 ILE A 80 8.030 -16.110 -1.146 1.00 22.23 H new ATOM 1235 N ASP A 81 3.611 -15.249 2.348 1.00 61.33 N ATOM 1236 CA ASP A 81 2.153 -15.232 2.351 1.00 34.23 C ATOM 1237 C ASP A 81 1.624 -14.037 3.138 1.00 63.05 C ATOM 1238 O ASP A 81 0.656 -13.394 2.734 1.00 70.31 O ATOM 1239 CB ASP A 81 1.608 -16.531 2.946 1.00 72.32 C ATOM 1240 CG ASP A 81 0.092 -16.574 2.954 1.00 1.42 C ATOM 1241 OD1 ASP A 81 -0.494 -16.610 4.057 1.00 54.31 O ATOM 1242 OD2 ASP A 81 -0.507 -16.568 1.860 1.00 55.02 O ATOM 0 H ASP A 81 4.023 -16.131 2.652 1.00 61.33 H new ATOM 0 HA ASP A 81 1.814 -15.143 1.319 1.00 34.23 H new ATOM 0 HB2 ASP A 81 1.989 -17.377 2.374 1.00 72.32 H new ATOM 0 HB3 ASP A 81 1.977 -16.643 3.966 1.00 72.32 H new ATOM 1247 N MET A 82 2.268 -13.746 4.264 1.00 21.34 N ATOM 1248 CA MET A 82 1.862 -12.628 5.107 1.00 25.21 C ATOM 1249 C MET A 82 2.002 -11.305 4.361 1.00 32.14 C ATOM 1250 O MET A 82 1.056 -10.520 4.290 1.00 43.45 O ATOM 1251 CB MET A 82 2.701 -12.596 6.387 1.00 2.22 C ATOM 1252 CG MET A 82 1.984 -13.169 7.598 1.00 70.11 C ATOM 1253 SD MET A 82 2.988 -13.108 9.094 1.00 4.43 S ATOM 1254 CE MET A 82 3.966 -14.596 8.907 1.00 30.52 C ATOM 0 H MET A 82 3.072 -14.268 4.613 1.00 21.34 H new ATOM 0 HA MET A 82 0.814 -12.767 5.371 1.00 25.21 H new ATOM 0 HB2 MET A 82 3.622 -13.155 6.222 1.00 2.22 H new ATOM 0 HB3 MET A 82 2.987 -11.566 6.598 1.00 2.22 H new ATOM 0 HG2 MET A 82 1.059 -12.616 7.763 1.00 70.11 H new ATOM 0 HG3 MET A 82 1.705 -14.203 7.394 1.00 70.11 H new ATOM 0 HE1 MET A 82 4.921 -14.470 9.418 1.00 30.52 H new ATOM 0 HE2 MET A 82 3.431 -15.440 9.341 1.00 30.52 H new ATOM 0 HE3 MET A 82 4.143 -14.784 7.848 1.00 30.52 H new ATOM 1264 N ALA A 83 3.185 -11.065 3.807 1.00 62.40 N ATOM 1265 CA ALA A 83 3.447 -9.838 3.065 1.00 22.41 C ATOM 1266 C ALA A 83 2.381 -9.602 2.000 1.00 25.34 C ATOM 1267 O ALA A 83 1.994 -8.463 1.739 1.00 63.53 O ATOM 1268 CB ALA A 83 4.828 -9.891 2.429 1.00 52.15 C ATOM 0 H ALA A 83 3.978 -11.704 3.858 1.00 62.40 H new ATOM 0 HA ALA A 83 3.413 -9.004 3.766 1.00 22.41 H new ATOM 0 HB1 ALA A 83 5.010 -8.968 1.878 1.00 52.15 H new ATOM 0 HB2 ALA A 83 5.583 -10.004 3.207 1.00 52.15 H new ATOM 0 HB3 ALA A 83 4.882 -10.738 1.746 1.00 52.15 H new ATOM 1274 N ILE A 84 1.911 -10.685 1.391 1.00 14.02 N ATOM 1275 CA ILE A 84 0.888 -10.594 0.356 1.00 61.32 C ATOM 1276 C ILE A 84 -0.426 -10.074 0.925 1.00 21.22 C ATOM 1277 O ILE A 84 -0.952 -9.056 0.473 1.00 21.35 O ATOM 1278 CB ILE A 84 0.641 -11.960 -0.311 1.00 53.04 C ATOM 1279 CG1 ILE A 84 1.935 -12.494 -0.927 1.00 42.35 C ATOM 1280 CG2 ILE A 84 -0.447 -11.844 -1.369 1.00 64.14 C ATOM 1281 CD1 ILE A 84 1.910 -13.983 -1.193 1.00 33.13 C ATOM 0 H ILE A 84 2.222 -11.635 1.596 1.00 14.02 H new ATOM 0 HA ILE A 84 1.258 -9.894 -0.393 1.00 61.32 H new ATOM 0 HB ILE A 84 0.307 -12.664 0.451 1.00 53.04 H new ATOM 0 HG12 ILE A 84 2.125 -11.969 -1.863 1.00 42.35 H new ATOM 0 HG13 ILE A 84 2.766 -12.267 -0.259 1.00 42.35 H new ATOM 0 HG21 ILE A 84 -0.610 -12.817 -1.831 1.00 64.14 H new ATOM 0 HG22 ILE A 84 -1.372 -11.504 -0.904 1.00 64.14 H new ATOM 0 HG23 ILE A 84 -0.139 -11.128 -2.131 1.00 64.14 H new ATOM 0 HD11 ILE A 84 2.860 -14.291 -1.630 1.00 33.13 H new ATOM 0 HD12 ILE A 84 1.751 -14.517 -0.256 1.00 33.13 H new ATOM 0 HD13 ILE A 84 1.101 -14.215 -1.885 1.00 33.13 H new ATOM 1293 N VAL A 85 -0.953 -10.777 1.923 1.00 61.32 N ATOM 1294 CA VAL A 85 -2.206 -10.384 2.557 1.00 71.40 C ATOM 1295 C VAL A 85 -2.116 -8.972 3.121 1.00 1.44 C ATOM 1296 O VAL A 85 -3.072 -8.198 3.044 1.00 35.22 O ATOM 1297 CB VAL A 85 -2.588 -11.354 3.691 1.00 35.21 C ATOM 1298 CG1 VAL A 85 -3.915 -10.949 4.315 1.00 75.24 C ATOM 1299 CG2 VAL A 85 -2.649 -12.783 3.172 1.00 45.24 C ATOM 0 H VAL A 85 -0.532 -11.622 2.310 1.00 61.32 H new ATOM 0 HA VAL A 85 -2.976 -10.416 1.786 1.00 71.40 H new ATOM 0 HB VAL A 85 -1.820 -11.304 4.463 1.00 35.21 H new ATOM 0 HG11 VAL A 85 -4.169 -11.645 5.114 1.00 75.24 H new ATOM 0 HG12 VAL A 85 -3.832 -9.942 4.724 1.00 75.24 H new ATOM 0 HG13 VAL A 85 -4.696 -10.969 3.555 1.00 75.24 H new ATOM 0 HG21 VAL A 85 -2.920 -13.455 3.987 1.00 45.24 H new ATOM 0 HG22 VAL A 85 -3.396 -12.851 2.381 1.00 45.24 H new ATOM 0 HG23 VAL A 85 -1.674 -13.068 2.776 1.00 45.24 H new ATOM 1309 N THR A 86 -0.962 -8.638 3.689 1.00 41.32 N ATOM 1310 CA THR A 86 -0.747 -7.317 4.267 1.00 64.24 C ATOM 1311 C THR A 86 -0.943 -6.222 3.224 1.00 34.43 C ATOM 1312 O THR A 86 -1.618 -5.224 3.478 1.00 12.43 O ATOM 1313 CB THR A 86 0.666 -7.190 4.868 1.00 34.40 C ATOM 1314 OG1 THR A 86 0.954 -8.329 5.685 1.00 23.43 O ATOM 1315 CG2 THR A 86 0.789 -5.920 5.697 1.00 74.45 C ATOM 0 H THR A 86 -0.161 -9.265 3.761 1.00 41.32 H new ATOM 0 HA THR A 86 -1.484 -7.196 5.061 1.00 64.24 H new ATOM 0 HB THR A 86 1.383 -7.141 4.049 1.00 34.40 H new ATOM 0 HG1 THR A 86 1.249 -9.072 5.118 1.00 23.43 H new ATOM 0 HG21 THR A 86 1.795 -5.852 6.111 1.00 74.45 H new ATOM 0 HG22 THR A 86 0.597 -5.053 5.065 1.00 74.45 H new ATOM 0 HG23 THR A 86 0.063 -5.944 6.510 1.00 74.45 H new ATOM 1323 N LEU A 87 -0.351 -6.416 2.051 1.00 33.25 N ATOM 1324 CA LEU A 87 -0.462 -5.444 0.968 1.00 0.11 C ATOM 1325 C LEU A 87 -1.913 -5.289 0.523 1.00 5.15 C ATOM 1326 O LEU A 87 -2.371 -4.182 0.238 1.00 62.32 O ATOM 1327 CB LEU A 87 0.404 -5.871 -0.218 1.00 64.21 C ATOM 1328 CG LEU A 87 1.901 -5.585 -0.092 1.00 71.14 C ATOM 1329 CD1 LEU A 87 2.671 -6.273 -1.209 1.00 64.22 C ATOM 1330 CD2 LEU A 87 2.161 -4.086 -0.109 1.00 4.13 C ATOM 0 H LEU A 87 0.211 -7.237 1.825 1.00 33.25 H new ATOM 0 HA LEU A 87 -0.110 -4.482 1.339 1.00 0.11 H new ATOM 0 HB2 LEU A 87 0.271 -6.942 -0.373 1.00 64.21 H new ATOM 0 HB3 LEU A 87 0.033 -5.371 -1.112 1.00 64.21 H new ATOM 0 HG LEU A 87 2.249 -5.983 0.861 1.00 71.14 H new ATOM 0 HD11 LEU A 87 3.734 -6.059 -1.104 1.00 64.22 H new ATOM 0 HD12 LEU A 87 2.511 -7.350 -1.152 1.00 64.22 H new ATOM 0 HD13 LEU A 87 2.320 -5.905 -2.173 1.00 64.22 H new ATOM 0 HD21 LEU A 87 3.231 -3.901 -0.018 1.00 4.13 H new ATOM 0 HD22 LEU A 87 1.798 -3.664 -1.046 1.00 4.13 H new ATOM 0 HD23 LEU A 87 1.640 -3.617 0.726 1.00 4.13 H new ATOM 1342 N LYS A 88 -2.632 -6.405 0.468 1.00 54.41 N ATOM 1343 CA LYS A 88 -4.032 -6.393 0.060 1.00 14.13 C ATOM 1344 C LYS A 88 -4.896 -5.688 1.102 1.00 60.22 C ATOM 1345 O LYS A 88 -5.612 -4.737 0.789 1.00 70.14 O ATOM 1346 CB LYS A 88 -4.535 -7.823 -0.152 1.00 23.43 C ATOM 1347 CG LYS A 88 -3.711 -8.615 -1.153 1.00 40.01 C ATOM 1348 CD LYS A 88 -3.591 -10.074 -0.746 1.00 10.01 C ATOM 1349 CE LYS A 88 -4.165 -10.998 -1.808 1.00 54.41 C ATOM 1350 NZ LYS A 88 -3.747 -12.412 -1.599 1.00 41.34 N ATOM 0 H LYS A 88 -2.268 -7.329 0.701 1.00 54.41 H new ATOM 0 HA LYS A 88 -4.106 -5.845 -0.879 1.00 14.13 H new ATOM 0 HB2 LYS A 88 -4.531 -8.346 0.804 1.00 23.43 H new ATOM 0 HB3 LYS A 88 -5.570 -7.789 -0.492 1.00 23.43 H new ATOM 0 HG2 LYS A 88 -4.171 -8.548 -2.139 1.00 40.01 H new ATOM 0 HG3 LYS A 88 -2.717 -8.176 -1.235 1.00 40.01 H new ATOM 0 HD2 LYS A 88 -2.543 -10.320 -0.576 1.00 10.01 H new ATOM 0 HD3 LYS A 88 -4.113 -10.234 0.197 1.00 10.01 H new ATOM 0 HE2 LYS A 88 -5.253 -10.935 -1.794 1.00 54.41 H new ATOM 0 HE3 LYS A 88 -3.839 -10.665 -2.793 1.00 54.41 H new ATOM 0 HZ1 LYS A 88 -4.548 -13.044 -1.799 1.00 41.34 H new ATOM 0 HZ2 LYS A 88 -2.959 -12.639 -2.239 1.00 41.34 H new ATOM 0 HZ3 LYS A 88 -3.441 -12.542 -0.613 1.00 41.34 H new ATOM 1364 N VAL A 89 -4.823 -6.161 2.341 1.00 5.14 N ATOM 1365 CA VAL A 89 -5.596 -5.575 3.430 1.00 1.34 C ATOM 1366 C VAL A 89 -5.399 -4.064 3.492 1.00 10.13 C ATOM 1367 O VAL A 89 -6.323 -3.320 3.820 1.00 11.02 O ATOM 1368 CB VAL A 89 -5.208 -6.187 4.789 1.00 60.34 C ATOM 1369 CG1 VAL A 89 -5.994 -5.534 5.915 1.00 75.33 C ATOM 1370 CG2 VAL A 89 -5.429 -7.693 4.776 1.00 3.13 C ATOM 0 H VAL A 89 -4.236 -6.949 2.617 1.00 5.14 H new ATOM 0 HA VAL A 89 -6.644 -5.795 3.227 1.00 1.34 H new ATOM 0 HB VAL A 89 -4.149 -5.999 4.963 1.00 60.34 H new ATOM 0 HG11 VAL A 89 -5.705 -5.980 6.867 1.00 75.33 H new ATOM 0 HG12 VAL A 89 -5.780 -4.465 5.936 1.00 75.33 H new ATOM 0 HG13 VAL A 89 -7.061 -5.688 5.751 1.00 75.33 H new ATOM 0 HG21 VAL A 89 -5.150 -8.110 5.744 1.00 3.13 H new ATOM 0 HG22 VAL A 89 -6.480 -7.905 4.579 1.00 3.13 H new ATOM 0 HG23 VAL A 89 -4.816 -8.144 3.996 1.00 3.13 H new ATOM 1380 N PHE A 90 -4.189 -3.617 3.174 1.00 61.12 N ATOM 1381 CA PHE A 90 -3.870 -2.194 3.193 1.00 22.25 C ATOM 1382 C PHE A 90 -4.334 -1.515 1.908 1.00 5.14 C ATOM 1383 O PHE A 90 -4.778 -0.367 1.925 1.00 22.24 O ATOM 1384 CB PHE A 90 -2.365 -1.989 3.377 1.00 71.22 C ATOM 1385 CG PHE A 90 -1.940 -0.551 3.287 1.00 73.44 C ATOM 1386 CD1 PHE A 90 -1.919 0.250 4.416 1.00 2.24 C ATOM 1387 CD2 PHE A 90 -1.562 -0.002 2.073 1.00 41.14 C ATOM 1388 CE1 PHE A 90 -1.528 1.573 4.337 1.00 44.42 C ATOM 1389 CE2 PHE A 90 -1.170 1.321 1.987 1.00 20.21 C ATOM 1390 CZ PHE A 90 -1.154 2.110 3.121 1.00 71.05 C ATOM 0 H PHE A 90 -3.413 -4.219 2.900 1.00 61.12 H new ATOM 0 HA PHE A 90 -4.397 -1.741 4.033 1.00 22.25 H new ATOM 0 HB2 PHE A 90 -2.068 -2.387 4.347 1.00 71.22 H new ATOM 0 HB3 PHE A 90 -1.833 -2.565 2.620 1.00 71.22 H new ATOM 0 HD1 PHE A 90 -2.212 -0.164 5.370 1.00 2.24 H new ATOM 0 HD2 PHE A 90 -1.574 -0.614 1.183 1.00 41.14 H new ATOM 0 HE1 PHE A 90 -1.515 2.187 5.226 1.00 44.42 H new ATOM 0 HE2 PHE A 90 -0.877 1.737 1.035 1.00 20.21 H new ATOM 0 HZ PHE A 90 -0.850 3.144 3.057 1.00 71.05 H new ATOM 1400 N ALA A 91 -4.227 -2.233 0.795 1.00 14.51 N ATOM 1401 CA ALA A 91 -4.637 -1.701 -0.499 1.00 33.20 C ATOM 1402 C ALA A 91 -6.145 -1.476 -0.548 1.00 44.41 C ATOM 1403 O ALA A 91 -6.615 -0.458 -1.056 1.00 52.43 O ATOM 1404 CB ALA A 91 -4.206 -2.640 -1.615 1.00 53.32 C ATOM 0 H ALA A 91 -3.860 -3.184 0.763 1.00 14.51 H new ATOM 0 HA ALA A 91 -4.148 -0.737 -0.639 1.00 33.20 H new ATOM 0 HB1 ALA A 91 -4.518 -2.231 -2.576 1.00 53.32 H new ATOM 0 HB2 ALA A 91 -3.121 -2.747 -1.602 1.00 53.32 H new ATOM 0 HB3 ALA A 91 -4.669 -3.616 -1.469 1.00 53.32 H new ATOM 1410 N VAL A 92 -6.899 -2.433 -0.016 1.00 32.11 N ATOM 1411 CA VAL A 92 -8.354 -2.339 0.002 1.00 43.33 C ATOM 1412 C VAL A 92 -8.830 -1.395 1.100 1.00 73.12 C ATOM 1413 O VAL A 92 -9.557 -0.437 0.837 1.00 42.14 O ATOM 1414 CB VAL A 92 -9.004 -3.720 0.209 1.00 45.42 C ATOM 1415 CG1 VAL A 92 -10.509 -3.638 0.007 1.00 31.13 C ATOM 1416 CG2 VAL A 92 -8.387 -4.744 -0.731 1.00 61.40 C ATOM 0 H VAL A 92 -6.526 -3.282 0.408 1.00 32.11 H new ATOM 0 HA VAL A 92 -8.658 -1.945 -0.968 1.00 43.33 H new ATOM 0 HB VAL A 92 -8.817 -4.041 1.234 1.00 45.42 H new ATOM 0 HG11 VAL A 92 -10.951 -4.623 0.157 1.00 31.13 H new ATOM 0 HG12 VAL A 92 -10.935 -2.936 0.724 1.00 31.13 H new ATOM 0 HG13 VAL A 92 -10.722 -3.296 -1.006 1.00 31.13 H new ATOM 0 HG21 VAL A 92 -8.858 -5.714 -0.572 1.00 61.40 H new ATOM 0 HG22 VAL A 92 -8.542 -4.430 -1.763 1.00 61.40 H new ATOM 0 HG23 VAL A 92 -7.318 -4.822 -0.533 1.00 61.40 H new ATOM 1426 N ALA A 93 -8.415 -1.672 2.332 1.00 14.31 N ATOM 1427 CA ALA A 93 -8.798 -0.846 3.471 1.00 72.25 C ATOM 1428 C ALA A 93 -8.183 0.545 3.370 1.00 24.44 C ATOM 1429 O ALA A 93 -8.558 1.455 4.109 1.00 42.23 O ATOM 1430 CB ALA A 93 -8.383 -1.517 4.771 1.00 4.35 C ATOM 0 H ALA A 93 -7.814 -2.462 2.567 1.00 14.31 H new ATOM 0 HA ALA A 93 -9.882 -0.736 3.462 1.00 72.25 H new ATOM 0 HB1 ALA A 93 -8.675 -0.890 5.613 1.00 4.35 H new ATOM 0 HB2 ALA A 93 -8.874 -2.487 4.853 1.00 4.35 H new ATOM 0 HB3 ALA A 93 -7.302 -1.656 4.780 1.00 4.35 H new ATOM 1436 N GLY A 94 -7.234 0.703 2.452 1.00 3.11 N ATOM 1437 CA GLY A 94 -6.582 1.988 2.273 1.00 64.33 C ATOM 1438 C GLY A 94 -7.167 2.780 1.123 1.00 11.54 C ATOM 1439 O GLY A 94 -7.869 3.771 1.335 1.00 31.34 O ATOM 0 H GLY A 94 -6.905 -0.035 1.829 1.00 3.11 H new ATOM 0 HA2 GLY A 94 -6.671 2.568 3.192 1.00 64.33 H new ATOM 0 HA3 GLY A 94 -5.518 1.830 2.097 1.00 64.33 H new ATOM 1443 N LEU A 95 -6.879 2.348 -0.099 1.00 41.05 N ATOM 1444 CA LEU A 95 -7.380 3.026 -1.290 1.00 15.44 C ATOM 1445 C LEU A 95 -8.905 3.013 -1.322 1.00 34.35 C ATOM 1446 O LEU A 95 -9.540 4.014 -1.656 1.00 41.31 O ATOM 1447 CB LEU A 95 -6.827 2.362 -2.551 1.00 34.44 C ATOM 1448 CG LEU A 95 -5.358 2.645 -2.870 1.00 34.41 C ATOM 1449 CD1 LEU A 95 -5.096 4.143 -2.892 1.00 31.22 C ATOM 1450 CD2 LEU A 95 -4.451 1.958 -1.859 1.00 73.20 C ATOM 0 H LEU A 95 -6.301 1.530 -0.292 1.00 41.05 H new ATOM 0 HA LEU A 95 -7.044 4.062 -1.256 1.00 15.44 H new ATOM 0 HB2 LEU A 95 -6.956 1.284 -2.456 1.00 34.44 H new ATOM 0 HB3 LEU A 95 -7.431 2.682 -3.400 1.00 34.44 H new ATOM 0 HG LEU A 95 -5.137 2.243 -3.859 1.00 34.41 H new ATOM 0 HD11 LEU A 95 -4.046 4.325 -3.120 1.00 31.22 H new ATOM 0 HD12 LEU A 95 -5.720 4.610 -3.654 1.00 31.22 H new ATOM 0 HD13 LEU A 95 -5.334 4.568 -1.917 1.00 31.22 H new ATOM 0 HD21 LEU A 95 -3.410 2.170 -2.101 1.00 73.20 H new ATOM 0 HD22 LEU A 95 -4.674 2.330 -0.859 1.00 73.20 H new ATOM 0 HD23 LEU A 95 -4.619 0.882 -1.892 1.00 73.20 H new ATOM 1462 N LEU A 96 -9.490 1.872 -0.969 1.00 45.34 N ATOM 1463 CA LEU A 96 -10.941 1.728 -0.954 1.00 71.11 C ATOM 1464 C LEU A 96 -11.512 2.108 0.408 1.00 40.41 C ATOM 1465 O LEU A 96 -12.726 2.099 0.607 1.00 23.11 O ATOM 1466 CB LEU A 96 -11.334 0.291 -1.302 1.00 25.43 C ATOM 1467 CG LEU A 96 -12.251 0.120 -2.513 1.00 0.24 C ATOM 1468 CD1 LEU A 96 -11.941 -1.180 -3.239 1.00 64.20 C ATOM 1469 CD2 LEU A 96 -13.711 0.159 -2.087 1.00 62.12 C ATOM 0 H LEU A 96 -8.981 1.034 -0.689 1.00 45.34 H new ATOM 0 HA LEU A 96 -11.356 2.403 -1.702 1.00 71.11 H new ATOM 0 HB2 LEU A 96 -10.423 -0.281 -1.478 1.00 25.43 H new ATOM 0 HB3 LEU A 96 -11.825 -0.150 -0.435 1.00 25.43 H new ATOM 0 HG LEU A 96 -12.071 0.947 -3.199 1.00 0.24 H new ATOM 0 HD11 LEU A 96 -12.604 -1.284 -4.098 1.00 64.20 H new ATOM 0 HD12 LEU A 96 -10.905 -1.169 -3.579 1.00 64.20 H new ATOM 0 HD13 LEU A 96 -12.091 -2.020 -2.561 1.00 64.20 H new ATOM 0 HD21 LEU A 96 -14.349 0.036 -2.962 1.00 62.12 H new ATOM 0 HD22 LEU A 96 -13.905 -0.647 -1.380 1.00 62.12 H new ATOM 0 HD23 LEU A 96 -13.926 1.117 -1.613 1.00 62.12 H new ATOM 1481 N ASN A 97 -10.629 2.447 1.341 1.00 64.52 N ATOM 1482 CA ASN A 97 -11.046 2.832 2.685 1.00 43.54 C ATOM 1483 C ASN A 97 -12.001 1.800 3.275 1.00 3.11 C ATOM 1484 O ASN A 97 -12.862 2.130 4.090 1.00 41.55 O ATOM 1485 CB ASN A 97 -11.716 4.207 2.657 1.00 24.24 C ATOM 1486 CG ASN A 97 -11.174 5.135 3.728 1.00 54.21 C ATOM 1487 OD1 ASN A 97 -10.621 4.688 4.732 1.00 63.22 O ATOM 1488 ND2 ASN A 97 -11.333 6.437 3.517 1.00 74.32 N ATOM 0 H ASN A 97 -9.620 2.463 1.192 1.00 64.52 H new ATOM 0 HA ASN A 97 -10.158 2.880 3.315 1.00 43.54 H new ATOM 0 HB2 ASN A 97 -11.567 4.661 1.677 1.00 24.24 H new ATOM 0 HB3 ASN A 97 -12.791 4.088 2.793 1.00 24.24 H new ATOM 0 HD21 ASN A 97 -10.990 7.110 4.202 1.00 74.32 H new ATOM 0 HD22 ASN A 97 -11.798 6.763 2.670 1.00 74.32 H new ATOM 1495 N MET A 98 -11.841 0.548 2.860 1.00 73.52 N ATOM 1496 CA MET A 98 -12.688 -0.534 3.349 1.00 70.12 C ATOM 1497 C MET A 98 -12.365 -0.862 4.803 1.00 44.41 C ATOM 1498 O MET A 98 -11.269 -0.576 5.287 1.00 42.30 O ATOM 1499 CB MET A 98 -12.511 -1.782 2.481 1.00 12.13 C ATOM 1500 CG MET A 98 -13.647 -2.001 1.496 1.00 70.24 C ATOM 1501 SD MET A 98 -14.750 -3.338 1.993 1.00 2.02 S ATOM 1502 CE MET A 98 -15.269 -3.961 0.396 1.00 20.12 C ATOM 0 H MET A 98 -11.133 0.257 2.186 1.00 73.52 H new ATOM 0 HA MET A 98 -13.725 -0.204 3.291 1.00 70.12 H new ATOM 0 HB2 MET A 98 -11.574 -1.702 1.930 1.00 12.13 H new ATOM 0 HB3 MET A 98 -12.428 -2.656 3.127 1.00 12.13 H new ATOM 0 HG2 MET A 98 -14.221 -1.079 1.398 1.00 70.24 H new ATOM 0 HG3 MET A 98 -13.232 -2.224 0.513 1.00 70.24 H new ATOM 0 HE1 MET A 98 -15.957 -4.795 0.537 1.00 20.12 H new ATOM 0 HE2 MET A 98 -15.769 -3.167 -0.159 1.00 20.12 H new ATOM 0 HE3 MET A 98 -14.397 -4.301 -0.163 1.00 20.12 H new ATOM 1512 N THR A 99 -13.326 -1.462 5.498 1.00 73.22 N ATOM 1513 CA THR A 99 -13.144 -1.828 6.897 1.00 52.12 C ATOM 1514 C THR A 99 -12.872 -3.321 7.045 1.00 51.54 C ATOM 1515 O THR A 99 -13.681 -4.056 7.609 1.00 73.13 O ATOM 1516 CB THR A 99 -14.379 -1.456 7.740 1.00 74.51 C ATOM 1517 OG1 THR A 99 -14.807 -0.127 7.423 1.00 72.12 O ATOM 1518 CG2 THR A 99 -14.070 -1.555 9.225 1.00 64.31 C ATOM 0 H THR A 99 -14.239 -1.705 5.114 1.00 73.22 H new ATOM 0 HA THR A 99 -12.283 -1.268 7.261 1.00 52.12 H new ATOM 0 HB THR A 99 -15.178 -2.159 7.504 1.00 74.51 H new ATOM 0 HG1 THR A 99 -15.593 0.101 7.962 1.00 72.12 H new ATOM 0 HG21 THR A 99 -14.957 -1.288 9.800 1.00 64.31 H new ATOM 0 HG22 THR A 99 -13.774 -2.576 9.468 1.00 64.31 H new ATOM 0 HG23 THR A 99 -13.257 -0.873 9.474 1.00 64.31 H new ATOM 1526 N VAL A 100 -11.726 -3.761 6.534 1.00 23.53 N ATOM 1527 CA VAL A 100 -11.346 -5.166 6.612 1.00 64.51 C ATOM 1528 C VAL A 100 -11.452 -5.687 8.041 1.00 73.24 C ATOM 1529 O VAL A 100 -10.930 -5.079 8.974 1.00 22.43 O ATOM 1530 CB VAL A 100 -9.909 -5.388 6.102 1.00 33.43 C ATOM 1531 CG1 VAL A 100 -9.521 -6.854 6.220 1.00 22.22 C ATOM 1532 CG2 VAL A 100 -9.773 -4.906 4.667 1.00 15.40 C ATOM 0 H VAL A 100 -11.046 -3.165 6.062 1.00 23.53 H new ATOM 0 HA VAL A 100 -12.039 -5.716 5.976 1.00 64.51 H new ATOM 0 HB VAL A 100 -9.228 -4.806 6.722 1.00 33.43 H new ATOM 0 HG11 VAL A 100 -8.503 -6.991 5.855 1.00 22.22 H new ATOM 0 HG12 VAL A 100 -9.577 -7.162 7.264 1.00 22.22 H new ATOM 0 HG13 VAL A 100 -10.204 -7.460 5.626 1.00 22.22 H new ATOM 0 HG21 VAL A 100 -8.752 -5.070 4.323 1.00 15.40 H new ATOM 0 HG22 VAL A 100 -10.464 -5.459 4.030 1.00 15.40 H new ATOM 0 HG23 VAL A 100 -10.006 -3.842 4.617 1.00 15.40 H new ATOM 1542 N SER A 101 -12.133 -6.817 8.204 1.00 64.23 N ATOM 1543 CA SER A 101 -12.311 -7.419 9.521 1.00 52.23 C ATOM 1544 C SER A 101 -11.202 -8.425 9.812 1.00 24.44 C ATOM 1545 O SER A 101 -10.776 -8.583 10.958 1.00 71.11 O ATOM 1546 CB SER A 101 -13.675 -8.107 9.610 1.00 14.34 C ATOM 1547 OG SER A 101 -14.308 -8.152 8.342 1.00 44.31 O ATOM 0 H SER A 101 -12.570 -7.334 7.441 1.00 64.23 H new ATOM 0 HA SER A 101 -12.263 -6.625 10.266 1.00 52.23 H new ATOM 0 HB2 SER A 101 -13.551 -9.120 9.994 1.00 14.34 H new ATOM 0 HB3 SER A 101 -14.309 -7.573 10.318 1.00 14.34 H new ATOM 0 HG SER A 101 -15.177 -8.598 8.426 1.00 44.31 H new ATOM 1553 N THR A 102 -10.738 -9.104 8.769 1.00 73.51 N ATOM 1554 CA THR A 102 -9.679 -10.096 8.912 1.00 32.50 C ATOM 1555 C THR A 102 -8.783 -10.124 7.680 1.00 72.54 C ATOM 1556 O THR A 102 -9.245 -9.916 6.558 1.00 22.25 O ATOM 1557 CB THR A 102 -10.257 -11.505 9.146 1.00 54.53 C ATOM 1558 OG1 THR A 102 -10.860 -11.992 7.942 1.00 73.31 O ATOM 1559 CG2 THR A 102 -11.288 -11.488 10.264 1.00 71.35 C ATOM 0 H THR A 102 -11.079 -8.986 7.815 1.00 73.51 H new ATOM 0 HA THR A 102 -9.088 -9.805 9.781 1.00 32.50 H new ATOM 0 HB THR A 102 -9.440 -12.166 9.437 1.00 54.53 H new ATOM 0 HG1 THR A 102 -11.224 -12.889 8.098 1.00 73.31 H new ATOM 0 HG21 THR A 102 -11.682 -12.494 10.411 1.00 71.35 H new ATOM 0 HG22 THR A 102 -10.819 -11.144 11.186 1.00 71.35 H new ATOM 0 HG23 THR A 102 -12.103 -10.815 9.998 1.00 71.35 H new ATOM 1567 N ALA A 103 -7.497 -10.386 7.895 1.00 1.40 N ATOM 1568 CA ALA A 103 -6.537 -10.444 6.801 1.00 40.15 C ATOM 1569 C ALA A 103 -7.020 -11.375 5.693 1.00 33.34 C ATOM 1570 O ALA A 103 -6.803 -11.114 4.511 1.00 1.22 O ATOM 1571 CB ALA A 103 -5.178 -10.896 7.315 1.00 41.50 C ATOM 0 H ALA A 103 -7.097 -10.561 8.817 1.00 1.40 H new ATOM 0 HA ALA A 103 -6.442 -9.442 6.382 1.00 40.15 H new ATOM 0 HB1 ALA A 103 -4.470 -10.935 6.487 1.00 41.50 H new ATOM 0 HB2 ALA A 103 -4.820 -10.191 8.065 1.00 41.50 H new ATOM 0 HB3 ALA A 103 -5.269 -11.886 7.761 1.00 41.50 H new ATOM 1577 N ALA A 104 -7.678 -12.461 6.085 1.00 24.42 N ATOM 1578 CA ALA A 104 -8.195 -13.430 5.127 1.00 43.25 C ATOM 1579 C ALA A 104 -9.349 -12.842 4.321 1.00 22.41 C ATOM 1580 O ALA A 104 -9.507 -13.140 3.137 1.00 21.44 O ATOM 1581 CB ALA A 104 -8.637 -14.697 5.842 1.00 31.25 C ATOM 0 H ALA A 104 -7.866 -12.692 7.061 1.00 24.42 H new ATOM 0 HA ALA A 104 -7.393 -13.681 4.433 1.00 43.25 H new ATOM 0 HB1 ALA A 104 -9.021 -15.411 5.113 1.00 31.25 H new ATOM 0 HB2 ALA A 104 -7.787 -15.134 6.366 1.00 31.25 H new ATOM 0 HB3 ALA A 104 -9.420 -14.455 6.560 1.00 31.25 H new ATOM 1587 N ALA A 105 -10.154 -12.010 4.972 1.00 11.51 N ATOM 1588 CA ALA A 105 -11.294 -11.380 4.316 1.00 63.14 C ATOM 1589 C ALA A 105 -10.838 -10.440 3.206 1.00 40.25 C ATOM 1590 O ALA A 105 -11.443 -10.389 2.135 1.00 4.12 O ATOM 1591 CB ALA A 105 -12.139 -10.628 5.333 1.00 14.05 C ATOM 0 H ALA A 105 -10.039 -11.756 5.953 1.00 11.51 H new ATOM 0 HA ALA A 105 -11.901 -12.165 3.865 1.00 63.14 H new ATOM 0 HB1 ALA A 105 -12.986 -10.163 4.829 1.00 14.05 H new ATOM 0 HB2 ALA A 105 -12.504 -11.324 6.089 1.00 14.05 H new ATOM 0 HB3 ALA A 105 -11.534 -9.858 5.811 1.00 14.05 H new ATOM 1597 N ALA A 106 -9.767 -9.697 3.468 1.00 60.20 N ATOM 1598 CA ALA A 106 -9.229 -8.760 2.490 1.00 15.00 C ATOM 1599 C ALA A 106 -8.656 -9.495 1.283 1.00 54.53 C ATOM 1600 O ALA A 106 -9.035 -9.223 0.143 1.00 14.11 O ATOM 1601 CB ALA A 106 -8.164 -7.882 3.130 1.00 43.12 C ATOM 0 H ALA A 106 -9.255 -9.726 4.350 1.00 60.20 H new ATOM 0 HA ALA A 106 -10.046 -8.127 2.143 1.00 15.00 H new ATOM 0 HB1 ALA A 106 -7.771 -7.187 2.388 1.00 43.12 H new ATOM 0 HB2 ALA A 106 -8.602 -7.321 3.956 1.00 43.12 H new ATOM 0 HB3 ALA A 106 -7.354 -8.508 3.506 1.00 43.12 H new ATOM 1607 N GLU A 107 -7.741 -10.424 1.540 1.00 34.25 N ATOM 1608 CA GLU A 107 -7.117 -11.196 0.473 1.00 42.24 C ATOM 1609 C GLU A 107 -8.162 -11.977 -0.318 1.00 21.42 C ATOM 1610 O GLU A 107 -7.972 -12.272 -1.497 1.00 43.50 O ATOM 1611 CB GLU A 107 -6.074 -12.156 1.050 1.00 11.12 C ATOM 1612 CG GLU A 107 -6.679 -13.365 1.744 1.00 3.23 C ATOM 1613 CD GLU A 107 -5.628 -14.321 2.274 1.00 54.13 C ATOM 1614 OE1 GLU A 107 -5.898 -14.995 3.289 1.00 63.51 O ATOM 1615 OE2 GLU A 107 -4.536 -14.394 1.672 1.00 64.22 O ATOM 0 H GLU A 107 -7.416 -10.660 2.477 1.00 34.25 H new ATOM 0 HA GLU A 107 -6.623 -10.498 -0.203 1.00 42.24 H new ATOM 0 HB2 GLU A 107 -5.422 -12.497 0.246 1.00 11.12 H new ATOM 0 HB3 GLU A 107 -5.448 -11.615 1.760 1.00 11.12 H new ATOM 0 HG2 GLU A 107 -7.308 -13.029 2.569 1.00 3.23 H new ATOM 0 HG3 GLU A 107 -7.326 -13.894 1.045 1.00 3.23 H new ATOM 1622 N ASN A 108 -9.266 -12.312 0.342 1.00 23.54 N ATOM 1623 CA ASN A 108 -10.341 -13.062 -0.297 1.00 41.41 C ATOM 1624 C ASN A 108 -11.163 -12.159 -1.213 1.00 24.10 C ATOM 1625 O ASN A 108 -11.658 -12.597 -2.250 1.00 33.21 O ATOM 1626 CB ASN A 108 -11.247 -13.696 0.759 1.00 32.15 C ATOM 1627 CG ASN A 108 -10.786 -15.085 1.159 1.00 55.31 C ATOM 1628 OD1 ASN A 108 -10.582 -15.368 2.339 1.00 34.40 O ATOM 1629 ND2 ASN A 108 -10.619 -15.959 0.172 1.00 11.33 N ATOM 0 H ASN A 108 -9.440 -12.076 1.319 1.00 23.54 H new ATOM 0 HA ASN A 108 -9.892 -13.851 -0.900 1.00 41.41 H new ATOM 0 HB2 ASN A 108 -11.274 -13.057 1.642 1.00 32.15 H new ATOM 0 HB3 ASN A 108 -12.265 -13.751 0.374 1.00 32.15 H new ATOM 0 HD21 ASN A 108 -10.310 -16.909 0.379 1.00 11.33 H new ATOM 0 HD22 ASN A 108 -10.800 -15.680 -0.792 1.00 11.33 H new ATOM 1636 N MET A 109 -11.302 -10.897 -0.820 1.00 71.11 N ATOM 1637 CA MET A 109 -12.062 -9.932 -1.606 1.00 13.00 C ATOM 1638 C MET A 109 -11.302 -9.542 -2.869 1.00 53.40 C ATOM 1639 O MET A 109 -11.851 -9.575 -3.971 1.00 35.42 O ATOM 1640 CB MET A 109 -12.363 -8.686 -0.771 1.00 52.32 C ATOM 1641 CG MET A 109 -13.827 -8.552 -0.387 1.00 11.55 C ATOM 1642 SD MET A 109 -14.284 -9.616 0.994 1.00 64.30 S ATOM 1643 CE MET A 109 -15.125 -10.943 0.135 1.00 71.12 C ATOM 0 H MET A 109 -10.899 -10.519 0.037 1.00 71.11 H new ATOM 0 HA MET A 109 -13.002 -10.399 -1.899 1.00 13.00 H new ATOM 0 HB2 MET A 109 -11.759 -8.712 0.136 1.00 52.32 H new ATOM 0 HB3 MET A 109 -12.060 -7.801 -1.331 1.00 52.32 H new ATOM 0 HG2 MET A 109 -14.036 -7.515 -0.126 1.00 11.55 H new ATOM 0 HG3 MET A 109 -14.448 -8.795 -1.249 1.00 11.55 H new ATOM 0 HE1 MET A 109 -15.902 -11.357 0.777 1.00 71.12 H new ATOM 0 HE2 MET A 109 -15.577 -10.556 -0.779 1.00 71.12 H new ATOM 0 HE3 MET A 109 -14.409 -11.725 -0.117 1.00 71.12 H new ATOM 1653 N TYR A 110 -10.038 -9.170 -2.703 1.00 30.04 N ATOM 1654 CA TYR A 110 -9.204 -8.770 -3.830 1.00 61.20 C ATOM 1655 C TYR A 110 -9.018 -9.926 -4.808 1.00 34.20 C ATOM 1656 O TYR A 110 -9.187 -9.765 -6.016 1.00 55.32 O ATOM 1657 CB TYR A 110 -7.841 -8.282 -3.335 1.00 71.30 C ATOM 1658 CG TYR A 110 -7.462 -6.914 -3.856 1.00 14.13 C ATOM 1659 CD1 TYR A 110 -6.234 -6.698 -4.467 1.00 40.24 C ATOM 1660 CD2 TYR A 110 -8.333 -5.837 -3.735 1.00 64.15 C ATOM 1661 CE1 TYR A 110 -5.882 -5.449 -4.944 1.00 71.42 C ATOM 1662 CE2 TYR A 110 -7.990 -4.586 -4.210 1.00 70.33 C ATOM 1663 CZ TYR A 110 -6.764 -4.397 -4.813 1.00 34.52 C ATOM 1664 OH TYR A 110 -6.419 -3.152 -5.286 1.00 40.10 O ATOM 0 H TYR A 110 -9.568 -9.137 -1.798 1.00 30.04 H new ATOM 0 HA TYR A 110 -9.708 -7.955 -4.350 1.00 61.20 H new ATOM 0 HB2 TYR A 110 -7.847 -8.258 -2.245 1.00 71.30 H new ATOM 0 HB3 TYR A 110 -7.077 -9.000 -3.634 1.00 71.30 H new ATOM 0 HD1 TYR A 110 -5.542 -7.520 -4.571 1.00 40.24 H new ATOM 0 HD2 TYR A 110 -9.293 -5.981 -3.262 1.00 64.15 H new ATOM 0 HE1 TYR A 110 -4.922 -5.298 -5.416 1.00 71.42 H new ATOM 0 HE2 TYR A 110 -8.678 -3.760 -4.110 1.00 70.33 H new ATOM 0 HH TYR A 110 -5.447 -3.040 -5.233 1.00 40.10 H new ATOM 1674 N SER A 111 -8.671 -11.094 -4.275 1.00 41.52 N ATOM 1675 CA SER A 111 -8.460 -12.277 -5.100 1.00 45.23 C ATOM 1676 C SER A 111 -9.727 -12.637 -5.869 1.00 22.51 C ATOM 1677 O SER A 111 -9.690 -12.851 -7.080 1.00 10.00 O ATOM 1678 CB SER A 111 -8.023 -13.458 -4.231 1.00 43.23 C ATOM 1679 OG SER A 111 -7.557 -14.533 -5.029 1.00 22.41 O ATOM 0 H SER A 111 -8.530 -11.246 -3.276 1.00 41.52 H new ATOM 0 HA SER A 111 -7.672 -12.053 -5.819 1.00 45.23 H new ATOM 0 HB2 SER A 111 -7.235 -13.139 -3.548 1.00 43.23 H new ATOM 0 HB3 SER A 111 -8.860 -13.792 -3.618 1.00 43.23 H new ATOM 0 HG SER A 111 -7.282 -15.275 -4.450 1.00 22.41 H new ATOM 1685 N GLN A 112 -10.845 -12.703 -5.155 1.00 31.04 N ATOM 1686 CA GLN A 112 -12.125 -13.038 -5.769 1.00 62.33 C ATOM 1687 C GLN A 112 -12.528 -11.985 -6.796 1.00 52.04 C ATOM 1688 O GLN A 112 -13.046 -12.312 -7.863 1.00 41.13 O ATOM 1689 CB GLN A 112 -13.210 -13.166 -4.699 1.00 73.42 C ATOM 1690 CG GLN A 112 -13.135 -14.462 -3.908 1.00 23.41 C ATOM 1691 CD GLN A 112 -13.883 -15.599 -4.577 1.00 5.42 C ATOM 1692 OE1 GLN A 112 -13.825 -15.762 -5.795 1.00 34.21 O ATOM 1693 NE2 GLN A 112 -14.589 -16.393 -3.781 1.00 4.14 N ATOM 0 H GLN A 112 -10.891 -12.529 -4.151 1.00 31.04 H new ATOM 0 HA GLN A 112 -12.015 -13.994 -6.280 1.00 62.33 H new ATOM 0 HB2 GLN A 112 -13.130 -12.325 -4.010 1.00 73.42 H new ATOM 0 HB3 GLN A 112 -14.188 -13.097 -5.175 1.00 73.42 H new ATOM 0 HG2 GLN A 112 -12.090 -14.745 -3.780 1.00 23.41 H new ATOM 0 HG3 GLN A 112 -13.545 -14.299 -2.911 1.00 23.41 H new ATOM 0 HE21 GLN A 112 -14.609 -16.221 -2.776 1.00 4.14 H new ATOM 0 HE22 GLN A 112 -15.112 -17.176 -4.175 1.00 4.14 H new ATOM 1702 N MET A 113 -12.288 -10.721 -6.466 1.00 23.32 N ATOM 1703 CA MET A 113 -12.625 -9.620 -7.360 1.00 52.13 C ATOM 1704 C MET A 113 -11.830 -9.712 -8.659 1.00 2.24 C ATOM 1705 O MET A 113 -12.198 -9.109 -9.667 1.00 64.42 O ATOM 1706 CB MET A 113 -12.355 -8.278 -6.677 1.00 50.52 C ATOM 1707 CG MET A 113 -13.440 -7.866 -5.697 1.00 21.45 C ATOM 1708 SD MET A 113 -14.389 -6.443 -6.267 1.00 30.11 S ATOM 1709 CE MET A 113 -13.245 -5.110 -5.915 1.00 65.52 C ATOM 0 H MET A 113 -11.861 -10.433 -5.585 1.00 23.32 H new ATOM 0 HA MET A 113 -13.686 -9.690 -7.598 1.00 52.13 H new ATOM 0 HB2 MET A 113 -11.403 -8.333 -6.150 1.00 50.52 H new ATOM 0 HB3 MET A 113 -12.253 -7.506 -7.439 1.00 50.52 H new ATOM 0 HG2 MET A 113 -14.115 -8.706 -5.534 1.00 21.45 H new ATOM 0 HG3 MET A 113 -12.985 -7.632 -4.735 1.00 21.45 H new ATOM 0 HE1 MET A 113 -13.690 -4.161 -6.213 1.00 65.52 H new ATOM 0 HE2 MET A 113 -13.028 -5.089 -4.847 1.00 65.52 H new ATOM 0 HE3 MET A 113 -12.320 -5.268 -6.470 1.00 65.52 H new