USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 831 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 44 SER OG : rot 163:sc= 1.11! USER MOD Set 1.2: A 49 TYR OH : rot 91:sc= 0.742 USER MOD Set 2.1: A 34 MET CE :methyl -113:sc= -2.6! (180deg=-3.03!) USER MOD Set 2.2: A 58 ASN : amide:sc= -3.74 K(o=-6.3,f=-5.4!) USER MOD Set 3.1: A 24 GLN : amide:sc= -1.52 K(o=-2.1,f=-4.9!) USER MOD Set 3.2: A 36 THR OG1 : rot -170:sc= -0.583 USER MOD Set 4.1: A 15 MET CE :methyl 156:sc= -0.101 (180deg=-0.712) USER MOD Set 4.2: A 87 MET CE :methyl -129:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -2.92 K(o=-2.9,f=-0.94) USER MOD Single : A 16 GLN : amide:sc= -0.236 K(o=-0.24,f=-2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= -3 (180deg=-4.91!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 18:sc= 0.354 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -108:sc= -5.54! (180deg=-10.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -167:sc= -0.865! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 76 SER OG : rot 114:sc= -0.925! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.603 K(o=-0.6,f=-3!) USER MOD Single : A 102 SER OG : rot 180:sc= -4.57! USER MOD Single : A 107 MET CE :methyl -113:sc= -6.94! (180deg=-11!) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 8 -0.477 -19.122 -5.430 1.00 0.00 N ATOM 116 CA PRO A 8 0.130 -17.995 -4.742 1.00 0.00 C ATOM 117 C PRO A 8 -0.821 -16.798 -4.704 1.00 0.00 C ATOM 118 O PRO A 8 -0.449 -15.721 -4.240 1.00 0.00 O ATOM 119 CB PRO A 8 1.413 -17.712 -5.510 1.00 0.00 C ATOM 120 CG PRO A 8 1.243 -18.382 -6.865 1.00 0.00 C ATOM 121 CD PRO A 8 0.057 -19.329 -6.771 1.00 0.00 C ATOM 0 HA PRO A 8 0.346 -18.207 -3.695 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.573 -16.640 -5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.280 -18.111 -4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.075 -17.636 -7.642 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.147 -18.928 -7.137 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.689 -19.106 -7.533 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.364 -20.364 -6.919 1.00 0.00 H new ATOM 129 N GLN A 9 -2.029 -17.027 -5.196 1.00 0.00 N ATOM 130 CA GLN A 9 -3.036 -15.980 -5.223 1.00 0.00 C ATOM 131 C GLN A 9 -3.639 -15.788 -3.830 1.00 0.00 C ATOM 132 O GLN A 9 -3.913 -14.660 -3.418 1.00 0.00 O ATOM 133 CB GLN A 9 -4.125 -16.293 -6.252 1.00 0.00 C ATOM 134 CG GLN A 9 -4.303 -15.129 -7.231 1.00 0.00 C ATOM 135 CD GLN A 9 -3.607 -15.420 -8.561 1.00 0.00 C ATOM 136 OE1 GLN A 9 -4.038 -16.246 -9.350 1.00 0.00 O ATOM 137 NE2 GLN A 9 -2.508 -14.700 -8.766 1.00 0.00 N ATOM 0 H GLN A 9 -2.333 -17.922 -5.579 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.555 -15.048 -5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.863 -17.198 -6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.067 -16.491 -5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.365 -14.953 -7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.895 -14.217 -6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.202 -14.025 -8.065 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.971 -14.822 -9.624 1.00 0.00 H new ATOM 146 N ARG A 10 -3.828 -16.903 -3.142 1.00 0.00 N ATOM 147 CA ARG A 10 -4.392 -16.871 -1.804 1.00 0.00 C ATOM 148 C ARG A 10 -3.509 -16.039 -0.873 1.00 0.00 C ATOM 149 O ARG A 10 -4.012 -15.249 -0.076 1.00 0.00 O ATOM 150 CB ARG A 10 -4.534 -18.284 -1.231 1.00 0.00 C ATOM 151 CG ARG A 10 -5.445 -18.290 -0.003 1.00 0.00 C ATOM 152 CD ARG A 10 -4.669 -17.902 1.258 1.00 0.00 C ATOM 153 NE ARG A 10 -5.012 -18.820 2.367 1.00 0.00 N ATOM 154 CZ ARG A 10 -4.808 -20.154 2.334 1.00 0.00 C ATOM 155 NH1 ARG A 10 -4.260 -20.738 1.248 1.00 0.00 N ATOM 156 NH2 ARG A 10 -5.153 -20.879 3.382 1.00 0.00 N ATOM 0 H ARG A 10 -3.600 -17.836 -3.486 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.381 -16.417 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.940 -18.950 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.551 -18.671 -0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.270 -17.594 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.882 -19.280 0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.598 -17.940 1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.905 -16.876 1.539 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.428 -18.420 3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.996 -20.171 0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.110 -21.747 1.233 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.566 -20.430 4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.006 -21.888 3.375 1.00 0.00 H new ATOM 169 N VAL A 11 -2.207 -16.242 -1.009 1.00 0.00 N ATOM 170 CA VAL A 11 -1.249 -15.517 -0.190 1.00 0.00 C ATOM 171 C VAL A 11 -1.154 -14.072 -0.681 1.00 0.00 C ATOM 172 O VAL A 11 -0.962 -13.153 0.116 1.00 0.00 O ATOM 173 CB VAL A 11 0.101 -16.241 -0.200 1.00 0.00 C ATOM 174 CG1 VAL A 11 1.093 -15.537 -1.127 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.667 -16.366 1.216 1.00 0.00 C ATOM 0 H VAL A 11 -1.793 -16.897 -1.673 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.580 -15.486 0.848 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.061 -17.248 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.043 -16.071 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.696 -15.524 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.248 -14.514 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.626 -16.884 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.807 -15.372 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.028 -16.931 1.837 1.00 0.00 H new ATOM 185 N ALA A 12 -1.295 -13.914 -1.988 1.00 0.00 N ATOM 186 CA ALA A 12 -1.227 -12.595 -2.595 1.00 0.00 C ATOM 187 C ALA A 12 -2.396 -11.746 -2.089 1.00 0.00 C ATOM 188 O ALA A 12 -2.217 -10.579 -1.746 1.00 0.00 O ATOM 189 CB ALA A 12 -1.223 -12.732 -4.118 1.00 0.00 C ATOM 0 H ALA A 12 -1.456 -14.678 -2.645 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.304 -12.089 -2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.172 -11.742 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.358 -13.319 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.136 -13.233 -4.441 1.00 0.00 H new ATOM 195 N GLN A 13 -3.566 -12.368 -2.059 1.00 0.00 N ATOM 196 CA GLN A 13 -4.765 -11.684 -1.600 1.00 0.00 C ATOM 197 C GLN A 13 -4.682 -11.422 -0.095 1.00 0.00 C ATOM 198 O GLN A 13 -4.622 -10.270 0.336 1.00 0.00 O ATOM 199 CB GLN A 13 -6.019 -12.485 -1.950 1.00 0.00 C ATOM 200 CG GLN A 13 -6.213 -12.568 -3.466 1.00 0.00 C ATOM 201 CD GLN A 13 -5.894 -11.228 -4.134 1.00 0.00 C ATOM 202 OE1 GLN A 13 -6.764 -10.412 -4.390 1.00 0.00 O ATOM 203 NE2 GLN A 13 -4.604 -11.049 -4.401 1.00 0.00 N ATOM 0 H GLN A 13 -3.710 -13.337 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.833 -10.724 -2.112 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.941 -13.490 -1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.892 -12.018 -1.493 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.569 -13.346 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.241 -12.854 -3.690 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.928 -11.774 -4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.290 -10.187 -4.847 1.00 0.00 H new ATOM 212 N GLU A 14 -4.684 -12.507 0.664 1.00 0.00 N ATOM 213 CA GLU A 14 -4.610 -12.409 2.111 1.00 0.00 C ATOM 214 C GLU A 14 -3.612 -11.323 2.520 1.00 0.00 C ATOM 215 O GLU A 14 -3.873 -10.549 3.440 1.00 0.00 O ATOM 216 CB GLU A 14 -4.242 -13.756 2.735 1.00 0.00 C ATOM 217 CG GLU A 14 -4.742 -13.849 4.177 1.00 0.00 C ATOM 218 CD GLU A 14 -3.571 -13.961 5.158 1.00 0.00 C ATOM 219 OE1 GLU A 14 -2.627 -14.725 4.910 1.00 0.00 O ATOM 220 OE2 GLU A 14 -3.668 -13.217 6.207 1.00 0.00 O ATOM 0 H GLU A 14 -4.736 -13.460 0.304 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.594 -12.130 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.674 -14.564 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.160 -13.887 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.339 -12.969 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.395 -14.715 4.284 1.00 0.00 H new ATOM 228 N MET A 15 -2.489 -11.302 1.816 1.00 0.00 N ATOM 229 CA MET A 15 -1.451 -10.325 2.094 1.00 0.00 C ATOM 230 C MET A 15 -1.846 -8.941 1.575 1.00 0.00 C ATOM 231 O MET A 15 -1.552 -7.930 2.209 1.00 0.00 O ATOM 232 CB MET A 15 -0.145 -10.765 1.430 1.00 0.00 C ATOM 233 CG MET A 15 0.510 -11.906 2.211 1.00 0.00 C ATOM 234 SD MET A 15 2.059 -12.359 1.448 1.00 0.00 S ATOM 235 CE MET A 15 3.039 -10.926 1.865 1.00 0.00 C ATOM 0 H MET A 15 -2.276 -11.946 1.054 1.00 0.00 H new ATOM 0 HA MET A 15 -1.318 -10.263 3.174 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.343 -11.086 0.407 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.540 -9.919 1.371 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.680 -11.600 3.243 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.157 -12.768 2.239 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.096 -11.193 1.859 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.860 -10.138 1.134 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.760 -10.571 2.857 1.00 0.00 H new ATOM 245 N GLN A 16 -2.508 -8.942 0.427 1.00 0.00 N ATOM 246 CA GLN A 16 -2.947 -7.699 -0.185 1.00 0.00 C ATOM 247 C GLN A 16 -3.980 -7.006 0.706 1.00 0.00 C ATOM 248 O GLN A 16 -4.007 -5.779 0.793 1.00 0.00 O ATOM 249 CB GLN A 16 -3.509 -7.946 -1.585 1.00 0.00 C ATOM 250 CG GLN A 16 -3.840 -6.626 -2.285 1.00 0.00 C ATOM 251 CD GLN A 16 -5.346 -6.492 -2.519 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.156 -7.183 -1.924 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.673 -5.566 -3.417 1.00 0.00 N ATOM 0 H GLN A 16 -2.751 -9.784 -0.095 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.084 -7.042 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.785 -8.504 -2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.407 -8.561 -1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.487 -5.791 -1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.314 -6.574 -3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.943 -5.023 -3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.653 -5.400 -3.644 1.00 0.00 H new ATOM 262 N LYS A 17 -4.807 -7.821 1.345 1.00 0.00 N ATOM 263 CA LYS A 17 -5.839 -7.301 2.225 1.00 0.00 C ATOM 264 C LYS A 17 -5.208 -6.887 3.555 1.00 0.00 C ATOM 265 O LYS A 17 -5.600 -5.882 4.147 1.00 0.00 O ATOM 266 CB LYS A 17 -6.977 -8.315 2.373 1.00 0.00 C ATOM 267 CG LYS A 17 -6.533 -9.518 3.206 1.00 0.00 C ATOM 268 CD LYS A 17 -7.739 -10.330 3.682 1.00 0.00 C ATOM 269 CE LYS A 17 -7.681 -10.563 5.193 1.00 0.00 C ATOM 270 NZ LYS A 17 -8.644 -11.612 5.594 1.00 0.00 N ATOM 0 H LYS A 17 -4.783 -8.838 1.270 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.292 -6.408 1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.835 -7.838 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.301 -8.650 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.874 -10.152 2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.957 -9.177 4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.659 -9.805 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.764 -11.288 3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.672 -10.857 5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.906 -9.635 5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.591 -11.757 6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.607 -11.317 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.412 -12.501 5.107 1.00 0.00 H new ATOM 283 N GLU A 18 -4.240 -7.682 3.988 1.00 0.00 N ATOM 284 CA GLU A 18 -3.551 -7.409 5.237 1.00 0.00 C ATOM 285 C GLU A 18 -2.705 -6.139 5.111 1.00 0.00 C ATOM 286 O GLU A 18 -2.701 -5.301 6.012 1.00 0.00 O ATOM 287 CB GLU A 18 -2.689 -8.602 5.659 1.00 0.00 C ATOM 288 CG GLU A 18 -2.096 -8.383 7.052 1.00 0.00 C ATOM 289 CD GLU A 18 -2.897 -9.139 8.115 1.00 0.00 C ATOM 290 OE1 GLU A 18 -4.135 -9.126 8.082 1.00 0.00 O ATOM 291 OE2 GLU A 18 -2.186 -9.756 8.996 1.00 0.00 O ATOM 0 H GLU A 18 -3.917 -8.515 3.496 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.298 -7.248 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.291 -9.510 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.886 -8.749 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.059 -8.718 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.090 -7.318 7.285 1.00 0.00 H new ATOM 299 N ILE A 19 -2.011 -6.038 3.988 1.00 0.00 N ATOM 300 CA ILE A 19 -1.165 -4.885 3.733 1.00 0.00 C ATOM 301 C ILE A 19 -2.042 -3.678 3.394 1.00 0.00 C ATOM 302 O ILE A 19 -1.796 -2.572 3.874 1.00 0.00 O ATOM 303 CB ILE A 19 -0.125 -5.211 2.660 1.00 0.00 C ATOM 304 CG1 ILE A 19 -0.739 -5.135 1.260 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.532 -6.567 2.924 1.00 0.00 C ATOM 306 CD1 ILE A 19 0.230 -5.675 0.205 1.00 0.00 C ATOM 0 H ILE A 19 -2.017 -6.736 3.244 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.597 -4.625 4.626 1.00 0.00 H new ATOM 0 HB ILE A 19 0.662 -4.458 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.666 -5.708 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.996 -4.102 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.267 -6.773 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.027 -6.549 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.229 -7.347 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.231 -5.609 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.146 -5.085 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.466 -6.716 0.426 1.00 0.00 H new ATOM 318 N ALA A 20 -3.048 -3.932 2.568 1.00 0.00 N ATOM 319 CA ALA A 20 -3.963 -2.880 2.159 1.00 0.00 C ATOM 320 C ALA A 20 -4.629 -2.280 3.399 1.00 0.00 C ATOM 321 O ALA A 20 -4.920 -1.084 3.434 1.00 0.00 O ATOM 322 CB ALA A 20 -4.980 -3.446 1.167 1.00 0.00 C ATOM 0 H ALA A 20 -3.249 -4.850 2.172 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.426 -2.078 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.667 -2.657 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.458 -3.834 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.541 -4.251 1.641 1.00 0.00 H new ATOM 328 N LEU A 21 -4.851 -3.135 4.386 1.00 0.00 N ATOM 329 CA LEU A 21 -5.478 -2.704 5.624 1.00 0.00 C ATOM 330 C LEU A 21 -4.492 -1.843 6.416 1.00 0.00 C ATOM 331 O LEU A 21 -4.794 -0.698 6.753 1.00 0.00 O ATOM 332 CB LEU A 21 -6.008 -3.908 6.404 1.00 0.00 C ATOM 333 CG LEU A 21 -6.334 -3.660 7.878 1.00 0.00 C ATOM 334 CD1 LEU A 21 -7.799 -3.984 8.177 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.380 -4.435 8.789 1.00 0.00 C ATOM 0 H LEU A 21 -4.608 -4.125 4.354 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.348 -2.082 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.909 -4.269 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.270 -4.708 6.345 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.188 -2.600 8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.005 -3.799 9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.443 -3.352 7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.994 -5.032 7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.634 -4.241 9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.470 -5.502 8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.355 -4.115 8.599 1.00 0.00 H new ATOM 347 N ILE A 22 -3.335 -2.426 6.691 1.00 0.00 N ATOM 348 CA ILE A 22 -2.304 -1.726 7.437 1.00 0.00 C ATOM 349 C ILE A 22 -1.916 -0.449 6.690 1.00 0.00 C ATOM 350 O ILE A 22 -1.414 0.499 7.292 1.00 0.00 O ATOM 351 CB ILE A 22 -1.120 -2.656 7.718 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.569 -3.891 8.503 1.00 0.00 C ATOM 353 CG2 ILE A 22 0.011 -1.907 8.423 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.417 -4.885 8.665 1.00 0.00 C ATOM 0 H ILE A 22 -3.089 -3.375 6.411 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.682 -1.423 8.413 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.726 -3.006 6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.935 -3.590 9.484 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.400 -4.372 7.987 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.839 -2.591 8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.353 -1.087 7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.352 -1.508 9.370 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.762 -5.753 9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.070 -5.203 7.682 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.402 -4.408 9.203 1.00 0.00 H new ATOM 366 N LEU A 23 -2.165 -0.464 5.389 1.00 0.00 N ATOM 367 CA LEU A 23 -1.850 0.682 4.553 1.00 0.00 C ATOM 368 C LEU A 23 -3.024 1.663 4.575 1.00 0.00 C ATOM 369 O LEU A 23 -2.880 2.817 4.174 1.00 0.00 O ATOM 370 CB LEU A 23 -1.454 0.227 3.147 1.00 0.00 C ATOM 371 CG LEU A 23 -0.610 1.212 2.335 1.00 0.00 C ATOM 372 CD1 LEU A 23 0.788 1.360 2.937 1.00 0.00 C ATOM 373 CD2 LEU A 23 -0.560 0.805 0.861 1.00 0.00 C ATOM 0 H LEU A 23 -2.581 -1.252 4.893 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.984 1.214 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.902 -0.709 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.364 0.011 2.587 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.086 2.191 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.368 2.065 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.707 1.729 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.287 0.391 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.046 1.521 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.120 -0.188 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.571 0.792 0.453 1.00 0.00 H new ATOM 385 N GLN A 24 -4.158 1.168 5.046 1.00 0.00 N ATOM 386 CA GLN A 24 -5.355 1.986 5.126 1.00 0.00 C ATOM 387 C GLN A 24 -5.707 2.272 6.587 1.00 0.00 C ATOM 388 O GLN A 24 -6.588 3.082 6.870 1.00 0.00 O ATOM 389 CB GLN A 24 -6.526 1.318 4.401 1.00 0.00 C ATOM 390 CG GLN A 24 -6.710 1.902 3.000 1.00 0.00 C ATOM 391 CD GLN A 24 -6.790 0.796 1.948 1.00 0.00 C ATOM 392 OE1 GLN A 24 -6.970 -0.373 2.252 1.00 0.00 O ATOM 393 NE2 GLN A 24 -6.645 1.225 0.698 1.00 0.00 N ATOM 0 H GLN A 24 -4.273 0.210 5.376 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.156 2.935 4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.350 0.245 4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.441 1.454 4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.619 2.503 2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.879 2.569 2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.497 2.217 0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.681 0.562 -0.076 1.00 0.00 H new ATOM 402 N ARG A 25 -5.001 1.591 7.477 1.00 0.00 N ATOM 403 CA ARG A 25 -5.227 1.762 8.902 1.00 0.00 C ATOM 404 C ARG A 25 -4.003 2.401 9.561 1.00 0.00 C ATOM 405 O ARG A 25 -4.104 3.473 10.158 1.00 0.00 O ATOM 406 CB ARG A 25 -5.518 0.420 9.578 1.00 0.00 C ATOM 407 CG ARG A 25 -6.998 0.050 9.446 1.00 0.00 C ATOM 408 CD ARG A 25 -7.819 0.654 10.588 1.00 0.00 C ATOM 409 NE ARG A 25 -9.256 0.636 10.241 1.00 0.00 N ATOM 410 CZ ARG A 25 -10.254 0.737 11.145 1.00 0.00 C ATOM 411 NH1 ARG A 25 -9.977 0.864 12.460 1.00 0.00 N ATOM 412 NH2 ARG A 25 -11.505 0.710 10.725 1.00 0.00 N ATOM 0 H ARG A 25 -4.271 0.919 7.239 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.092 2.414 9.024 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.903 -0.359 9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.245 0.473 10.632 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.382 0.406 8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.107 -1.035 9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.651 0.090 11.506 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.495 1.677 10.778 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.509 0.541 9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.008 0.884 12.777 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.737 0.940 13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.707 0.614 9.730 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.270 0.785 11.396 1.00 0.00 H new ATOM 425 N GLU A 26 -2.876 1.718 9.430 1.00 0.00 N ATOM 426 CA GLU A 26 -1.634 2.206 10.006 1.00 0.00 C ATOM 427 C GLU A 26 -1.191 3.491 9.301 1.00 0.00 C ATOM 428 O GLU A 26 -0.390 4.253 9.840 1.00 0.00 O ATOM 429 CB GLU A 26 -0.541 1.138 9.937 1.00 0.00 C ATOM 430 CG GLU A 26 0.567 1.549 8.965 1.00 0.00 C ATOM 431 CD GLU A 26 1.508 2.571 9.608 1.00 0.00 C ATOM 432 OE1 GLU A 26 1.364 2.884 10.799 1.00 0.00 O ATOM 433 OE2 GLU A 26 2.415 3.045 8.823 1.00 0.00 O ATOM 0 H GLU A 26 -2.796 0.831 8.934 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.808 2.433 11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.119 0.980 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.974 0.189 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.133 0.669 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.126 1.973 8.063 1.00 0.00 H new ATOM 441 N ILE A 27 -1.730 3.688 8.108 1.00 0.00 N ATOM 442 CA ILE A 27 -1.402 4.867 7.324 1.00 0.00 C ATOM 443 C ILE A 27 -2.245 6.048 7.809 1.00 0.00 C ATOM 444 O ILE A 27 -3.072 5.899 8.707 1.00 0.00 O ATOM 445 CB ILE A 27 -1.552 4.575 5.830 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.361 5.125 5.041 1.00 0.00 C ATOM 447 CG2 ILE A 27 -2.885 5.107 5.299 1.00 0.00 C ATOM 448 CD1 ILE A 27 -0.711 5.290 3.562 1.00 0.00 C ATOM 0 H ILE A 27 -2.392 3.051 7.664 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.357 5.142 7.468 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.558 3.494 5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.058 6.086 5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.490 4.451 5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.967 4.887 4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.706 4.629 5.833 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.933 6.185 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.153 5.682 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.990 4.323 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.546 5.983 3.461 1.00 0.00 H new ATOM 460 N LYS A 28 -2.007 7.196 7.191 1.00 0.00 N ATOM 461 CA LYS A 28 -2.735 8.403 7.548 1.00 0.00 C ATOM 462 C LYS A 28 -3.871 8.622 6.547 1.00 0.00 C ATOM 463 O LYS A 28 -3.805 9.528 5.718 1.00 0.00 O ATOM 464 CB LYS A 28 -1.777 9.591 7.663 1.00 0.00 C ATOM 465 CG LYS A 28 -1.058 9.846 6.336 1.00 0.00 C ATOM 466 CD LYS A 28 0.447 10.016 6.552 1.00 0.00 C ATOM 467 CE LYS A 28 1.046 8.783 7.231 1.00 0.00 C ATOM 468 NZ LYS A 28 2.471 8.629 6.862 1.00 0.00 N ATOM 0 H LYS A 28 -1.321 7.316 6.446 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.193 8.297 8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.331 10.482 7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.044 9.397 8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.240 9.015 5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.465 10.740 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.939 10.183 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.633 10.899 7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.952 8.875 8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.490 7.893 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.699 7.618 6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.648 9.105 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.068 9.055 7.599 1.00 0.00 H new ATOM 481 N ASP A 29 -4.885 7.777 6.658 1.00 0.00 N ATOM 482 CA ASP A 29 -6.034 7.868 5.773 1.00 0.00 C ATOM 483 C ASP A 29 -7.077 8.799 6.394 1.00 0.00 C ATOM 484 O ASP A 29 -7.556 9.724 5.741 1.00 0.00 O ATOM 485 CB ASP A 29 -6.684 6.497 5.572 1.00 0.00 C ATOM 486 CG ASP A 29 -8.207 6.479 5.703 1.00 0.00 C ATOM 487 OD1 ASP A 29 -8.757 6.633 6.803 1.00 0.00 O ATOM 488 OD2 ASP A 29 -8.847 6.293 4.597 1.00 0.00 O ATOM 0 H ASP A 29 -4.935 7.026 7.347 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.690 8.249 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.415 6.125 4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.264 5.802 6.299 1.00 0.00 H new ATOM 494 N PRO A 30 -7.409 8.514 7.682 1.00 0.00 N ATOM 495 CA PRO A 30 -8.387 9.315 8.398 1.00 0.00 C ATOM 496 C PRO A 30 -7.794 10.665 8.813 1.00 0.00 C ATOM 497 O PRO A 30 -8.504 11.526 9.328 1.00 0.00 O ATOM 498 CB PRO A 30 -8.804 8.461 9.584 1.00 0.00 C ATOM 499 CG PRO A 30 -7.713 7.416 9.748 1.00 0.00 C ATOM 500 CD PRO A 30 -6.863 7.427 8.488 1.00 0.00 C ATOM 0 HA PRO A 30 -9.251 9.570 7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.904 9.066 10.485 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.771 7.991 9.406 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.101 7.637 10.623 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.150 6.430 9.905 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.812 7.596 8.721 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.923 6.475 7.961 1.00 0.00 H new ATOM 508 N ARG A 31 -6.500 10.803 8.570 1.00 0.00 N ATOM 509 CA ARG A 31 -5.803 12.032 8.912 1.00 0.00 C ATOM 510 C ARG A 31 -5.666 12.926 7.677 1.00 0.00 C ATOM 511 O ARG A 31 -5.368 14.114 7.796 1.00 0.00 O ATOM 512 CB ARG A 31 -4.411 11.739 9.475 1.00 0.00 C ATOM 513 CG ARG A 31 -3.535 12.993 9.455 1.00 0.00 C ATOM 514 CD ARG A 31 -2.727 13.075 8.158 1.00 0.00 C ATOM 515 NE ARG A 31 -2.397 14.487 7.857 1.00 0.00 N ATOM 516 CZ ARG A 31 -1.514 14.872 6.913 1.00 0.00 C ATOM 517 NH1 ARG A 31 -0.864 13.953 6.165 1.00 0.00 N ATOM 518 NH2 ARG A 31 -1.295 16.161 6.728 1.00 0.00 N ATOM 0 H ARG A 31 -5.916 10.086 8.141 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.391 12.544 9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.499 11.369 10.496 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.937 10.951 8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.161 13.880 9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.858 12.982 10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.812 12.491 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.298 12.643 7.336 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.867 15.214 8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.040 12.959 6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.198 14.253 5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.791 16.849 7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.630 16.469 6.018 1.00 0.00 H new ATOM 531 N LEU A 32 -5.894 12.321 6.520 1.00 0.00 N ATOM 532 CA LEU A 32 -5.800 13.048 5.266 1.00 0.00 C ATOM 533 C LEU A 32 -7.155 13.683 4.947 1.00 0.00 C ATOM 534 O LEU A 32 -7.225 14.677 4.227 1.00 0.00 O ATOM 535 CB LEU A 32 -5.272 12.135 4.158 1.00 0.00 C ATOM 536 CG LEU A 32 -3.756 11.940 4.113 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.383 10.734 3.250 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.052 13.217 3.650 1.00 0.00 C ATOM 0 H LEU A 32 -6.143 11.336 6.425 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.079 13.861 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.741 11.157 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.595 12.538 3.198 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.409 11.730 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.299 10.618 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.838 9.835 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.745 10.888 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.975 13.051 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.400 13.483 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.279 14.029 4.341 1.00 0.00 H new ATOM 550 N GLY A 33 -8.199 13.081 5.498 1.00 0.00 N ATOM 551 CA GLY A 33 -9.547 13.576 5.282 1.00 0.00 C ATOM 552 C GLY A 33 -10.186 12.913 4.060 1.00 0.00 C ATOM 553 O GLY A 33 -11.107 13.463 3.460 1.00 0.00 O ATOM 0 H GLY A 33 -8.138 12.255 6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.155 13.382 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.523 14.657 5.143 1.00 0.00 H new ATOM 557 N MET A 34 -9.669 11.740 3.726 1.00 0.00 N ATOM 558 CA MET A 34 -10.176 10.995 2.586 1.00 0.00 C ATOM 559 C MET A 34 -9.947 9.493 2.766 1.00 0.00 C ATOM 560 O MET A 34 -9.314 9.069 3.732 1.00 0.00 O ATOM 561 CB MET A 34 -9.475 11.471 1.313 1.00 0.00 C ATOM 562 CG MET A 34 -9.934 12.878 0.926 1.00 0.00 C ATOM 563 SD MET A 34 -8.851 14.095 1.656 1.00 0.00 S ATOM 564 CE MET A 34 -7.396 13.862 0.645 1.00 0.00 C ATOM 0 H MET A 34 -8.904 11.287 4.225 1.00 0.00 H new ATOM 0 HA MET A 34 -11.249 11.172 2.508 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.396 11.466 1.465 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.686 10.779 0.498 1.00 0.00 H new ATOM 0 HG2 MET A 34 -9.935 12.984 -0.159 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.958 13.041 1.263 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.591 13.452 1.255 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.624 13.171 -0.167 1.00 0.00 H new ATOM 0 HE3 MET A 34 -7.085 14.820 0.229 1.00 0.00 H new ATOM 574 N MET A 35 -10.472 8.729 1.819 1.00 0.00 N ATOM 575 CA MET A 35 -10.332 7.283 1.860 1.00 0.00 C ATOM 576 C MET A 35 -9.464 6.784 0.704 1.00 0.00 C ATOM 577 O MET A 35 -9.737 7.083 -0.457 1.00 0.00 O ATOM 578 CB MET A 35 -11.715 6.634 1.778 1.00 0.00 C ATOM 579 CG MET A 35 -11.830 5.465 2.758 1.00 0.00 C ATOM 580 SD MET A 35 -13.113 4.345 2.223 1.00 0.00 S ATOM 581 CE MET A 35 -12.326 2.782 2.576 1.00 0.00 C ATOM 0 H MET A 35 -10.995 9.084 1.019 1.00 0.00 H new ATOM 0 HA MET A 35 -9.848 7.009 2.797 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.483 7.376 1.999 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.896 6.281 0.763 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.878 4.937 2.821 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.055 5.838 3.757 1.00 0.00 H new ATOM 0 HE1 MET A 35 -12.995 1.967 2.300 1.00 0.00 H new ATOM 0 HE2 MET A 35 -11.402 2.703 2.004 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.100 2.721 3.641 1.00 0.00 H new ATOM 591 N THR A 36 -8.434 6.030 1.063 1.00 0.00 N ATOM 592 CA THR A 36 -7.523 5.486 0.069 1.00 0.00 C ATOM 593 C THR A 36 -8.032 4.134 -0.436 1.00 0.00 C ATOM 594 O THR A 36 -8.949 3.556 0.143 1.00 0.00 O ATOM 595 CB THR A 36 -6.129 5.416 0.694 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.322 4.669 1.893 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.636 6.780 1.181 1.00 0.00 C ATOM 0 H THR A 36 -8.211 5.783 2.027 1.00 0.00 H new ATOM 0 HA THR A 36 -7.468 6.127 -0.811 1.00 0.00 H new ATOM 0 HB THR A 36 -5.425 5.014 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.509 4.709 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.642 6.674 1.616 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.592 7.472 0.340 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.322 7.167 1.934 1.00 0.00 H new ATOM 605 N THR A 37 -7.413 3.670 -1.511 1.00 0.00 N ATOM 606 CA THR A 37 -7.791 2.397 -2.102 1.00 0.00 C ATOM 607 C THR A 37 -6.555 1.667 -2.634 1.00 0.00 C ATOM 608 O THR A 37 -5.486 2.262 -2.760 1.00 0.00 O ATOM 609 CB THR A 37 -8.846 2.668 -3.175 1.00 0.00 C ATOM 610 OG1 THR A 37 -10.066 2.765 -2.446 1.00 0.00 O ATOM 611 CG2 THR A 37 -9.059 1.471 -4.103 1.00 0.00 C ATOM 0 H THR A 37 -6.652 4.153 -1.989 1.00 0.00 H new ATOM 0 HA THR A 37 -8.228 1.730 -1.358 1.00 0.00 H new ATOM 0 HB THR A 37 -8.549 3.535 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.869 2.918 -1.498 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.818 1.717 -4.846 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.123 1.230 -4.607 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.388 0.612 -3.519 1.00 0.00 H new ATOM 619 N VAL A 38 -6.744 0.390 -2.931 1.00 0.00 N ATOM 620 CA VAL A 38 -5.658 -0.426 -3.447 1.00 0.00 C ATOM 621 C VAL A 38 -6.102 -1.091 -4.750 1.00 0.00 C ATOM 622 O VAL A 38 -6.586 -2.222 -4.743 1.00 0.00 O ATOM 623 CB VAL A 38 -5.210 -1.433 -2.384 1.00 0.00 C ATOM 624 CG1 VAL A 38 -6.269 -2.517 -2.176 1.00 0.00 C ATOM 625 CG2 VAL A 38 -3.858 -2.049 -2.749 1.00 0.00 C ATOM 0 H VAL A 38 -7.632 -0.100 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.790 0.192 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.090 -0.897 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.926 -3.219 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.202 -2.057 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.435 -3.048 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.562 -2.761 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.939 -2.564 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.108 -1.262 -2.823 1.00 0.00 H new ATOM 635 N SER A 39 -5.919 -0.362 -5.842 1.00 0.00 N ATOM 636 CA SER A 39 -6.294 -0.866 -7.151 1.00 0.00 C ATOM 637 C SER A 39 -5.087 -1.518 -7.826 1.00 0.00 C ATOM 638 O SER A 39 -4.990 -1.535 -9.052 1.00 0.00 O ATOM 639 CB SER A 39 -6.855 0.251 -8.032 1.00 0.00 C ATOM 640 OG SER A 39 -8.155 -0.059 -8.526 1.00 0.00 O ATOM 0 H SER A 39 -5.515 0.575 -5.846 1.00 0.00 H new ATOM 0 HA SER A 39 -7.076 -1.614 -7.018 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.896 1.178 -7.460 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.181 0.424 -8.871 1.00 0.00 H new ATOM 0 HG SER A 39 -8.478 0.680 -9.082 1.00 0.00 H new ATOM 646 N GLY A 40 -4.195 -2.040 -6.996 1.00 0.00 N ATOM 647 CA GLY A 40 -2.996 -2.692 -7.497 1.00 0.00 C ATOM 648 C GLY A 40 -2.099 -3.151 -6.345 1.00 0.00 C ATOM 649 O GLY A 40 -1.930 -2.432 -5.363 1.00 0.00 O ATOM 0 H GLY A 40 -4.279 -2.025 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.273 -3.549 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.446 -2.005 -8.140 1.00 0.00 H new ATOM 653 N VAL A 41 -1.548 -4.344 -6.507 1.00 0.00 N ATOM 654 CA VAL A 41 -0.673 -4.907 -5.493 1.00 0.00 C ATOM 655 C VAL A 41 0.330 -5.853 -6.158 1.00 0.00 C ATOM 656 O VAL A 41 0.017 -6.484 -7.167 1.00 0.00 O ATOM 657 CB VAL A 41 -1.502 -5.587 -4.402 1.00 0.00 C ATOM 658 CG1 VAL A 41 -0.685 -6.659 -3.678 1.00 0.00 C ATOM 659 CG2 VAL A 41 -2.059 -4.560 -3.415 1.00 0.00 C ATOM 0 H VAL A 41 -1.690 -4.937 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.102 -4.118 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.347 -6.080 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.299 -7.126 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.363 -7.416 -4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.189 -6.200 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.644 -5.071 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.235 -4.024 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.695 -3.852 -3.947 1.00 0.00 H new ATOM 669 N GLU A 42 1.514 -5.919 -5.567 1.00 0.00 N ATOM 670 CA GLU A 42 2.564 -6.776 -6.091 1.00 0.00 C ATOM 671 C GLU A 42 3.544 -7.154 -4.978 1.00 0.00 C ATOM 672 O GLU A 42 4.001 -6.291 -4.228 1.00 0.00 O ATOM 673 CB GLU A 42 3.291 -6.105 -7.257 1.00 0.00 C ATOM 674 CG GLU A 42 2.297 -5.612 -8.311 1.00 0.00 C ATOM 675 CD GLU A 42 3.027 -5.026 -9.522 1.00 0.00 C ATOM 676 OE1 GLU A 42 2.596 -4.001 -10.068 1.00 0.00 O ATOM 677 OE2 GLU A 42 4.080 -5.675 -9.890 1.00 0.00 O ATOM 0 H GLU A 42 1.769 -5.393 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 42 2.105 -7.689 -6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.881 -5.266 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.988 -6.810 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.661 -6.437 -8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.644 -4.856 -7.875 1.00 0.00 H new ATOM 685 N MET A 43 3.839 -8.444 -4.904 1.00 0.00 N ATOM 686 CA MET A 43 4.757 -8.946 -3.896 1.00 0.00 C ATOM 687 C MET A 43 5.751 -9.936 -4.505 1.00 0.00 C ATOM 688 O MET A 43 5.385 -11.063 -4.839 1.00 0.00 O ATOM 689 CB MET A 43 3.966 -9.635 -2.784 1.00 0.00 C ATOM 690 CG MET A 43 2.487 -9.245 -2.840 1.00 0.00 C ATOM 691 SD MET A 43 1.571 -10.149 -1.605 1.00 0.00 S ATOM 692 CE MET A 43 0.631 -8.816 -0.878 1.00 0.00 C ATOM 0 H MET A 43 3.458 -9.157 -5.526 1.00 0.00 H new ATOM 0 HA MET A 43 5.316 -8.104 -3.488 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.064 -10.716 -2.879 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.381 -9.361 -1.814 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.378 -8.173 -2.673 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.084 -9.456 -3.831 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.021 -8.595 0.116 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.713 -7.928 -1.505 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.416 -9.109 -0.800 1.00 0.00 H new ATOM 702 N SER A 44 6.989 -9.482 -4.631 1.00 0.00 N ATOM 703 CA SER A 44 8.038 -10.314 -5.193 1.00 0.00 C ATOM 704 C SER A 44 8.982 -10.787 -4.085 1.00 0.00 C ATOM 705 O SER A 44 9.772 -10.002 -3.562 1.00 0.00 O ATOM 706 CB SER A 44 8.821 -9.563 -6.271 1.00 0.00 C ATOM 707 OG SER A 44 8.748 -10.214 -7.537 1.00 0.00 O ATOM 0 H SER A 44 7.289 -8.548 -4.353 1.00 0.00 H new ATOM 0 HA SER A 44 7.571 -11.181 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.431 -8.549 -6.362 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.864 -9.477 -5.967 1.00 0.00 H new ATOM 0 HG SER A 44 9.014 -9.588 -8.243 1.00 0.00 H new ATOM 713 N ARG A 45 8.870 -12.066 -3.760 1.00 0.00 N ATOM 714 CA ARG A 45 9.703 -12.653 -2.725 1.00 0.00 C ATOM 715 C ARG A 45 10.846 -13.451 -3.352 1.00 0.00 C ATOM 716 O ARG A 45 11.672 -14.023 -2.641 1.00 0.00 O ATOM 717 CB ARG A 45 8.885 -13.572 -1.814 1.00 0.00 C ATOM 718 CG ARG A 45 7.406 -13.183 -1.830 1.00 0.00 C ATOM 719 CD ARG A 45 6.777 -13.366 -0.447 1.00 0.00 C ATOM 720 NE ARG A 45 6.252 -14.744 -0.308 1.00 0.00 N ATOM 721 CZ ARG A 45 5.135 -15.194 -0.915 1.00 0.00 C ATOM 722 NH1 ARG A 45 4.411 -14.377 -1.711 1.00 0.00 N ATOM 723 NH2 ARG A 45 4.759 -16.444 -0.720 1.00 0.00 N ATOM 0 H ARG A 45 8.214 -12.713 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 45 10.111 -11.839 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.996 -14.606 -2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.269 -13.516 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.302 -12.145 -2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.873 -13.793 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.519 -13.171 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.972 -12.645 -0.306 1.00 0.00 H new ATOM 0 HE ARG A 45 6.768 -15.394 0.285 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.708 -13.412 -1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.567 -14.725 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.311 -17.054 -0.117 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.917 -16.800 -1.172 1.00 0.00 H new ATOM 736 N ASP A 46 10.859 -13.467 -4.677 1.00 0.00 N ATOM 737 CA ASP A 46 11.887 -14.187 -5.408 1.00 0.00 C ATOM 738 C ASP A 46 13.255 -13.593 -5.072 1.00 0.00 C ATOM 739 O ASP A 46 14.287 -14.209 -5.337 1.00 0.00 O ATOM 740 CB ASP A 46 11.677 -14.066 -6.918 1.00 0.00 C ATOM 741 CG ASP A 46 10.919 -15.229 -7.561 1.00 0.00 C ATOM 742 OD1 ASP A 46 10.277 -16.034 -6.869 1.00 0.00 O ATOM 743 OD2 ASP A 46 11.006 -15.293 -8.846 1.00 0.00 O ATOM 0 H ASP A 46 10.173 -12.992 -5.263 1.00 0.00 H new ATOM 0 HA ASP A 46 11.833 -15.237 -5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.135 -13.142 -7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.651 -13.977 -7.399 1.00 0.00 H new ATOM 749 N LEU A 47 13.222 -12.402 -4.492 1.00 0.00 N ATOM 750 CA LEU A 47 14.448 -11.718 -4.118 1.00 0.00 C ATOM 751 C LEU A 47 14.221 -10.950 -2.814 1.00 0.00 C ATOM 752 O LEU A 47 14.743 -11.328 -1.766 1.00 0.00 O ATOM 753 CB LEU A 47 14.945 -10.841 -5.268 1.00 0.00 C ATOM 754 CG LEU A 47 15.921 -11.502 -6.242 1.00 0.00 C ATOM 755 CD1 LEU A 47 15.326 -11.576 -7.651 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.276 -10.791 -6.230 1.00 0.00 C ATOM 0 H LEU A 47 12.366 -11.893 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 47 15.244 -12.439 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.080 -10.492 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.426 -9.960 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 47 16.092 -12.526 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.041 -12.050 -8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.407 -12.161 -7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.106 -10.569 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.951 -11.282 -6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.143 -9.749 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.701 -10.835 -5.227 1.00 0.00 H new ATOM 768 N ALA A 48 13.439 -9.886 -2.920 1.00 0.00 N ATOM 769 CA ALA A 48 13.136 -9.061 -1.762 1.00 0.00 C ATOM 770 C ALA A 48 12.649 -7.689 -2.232 1.00 0.00 C ATOM 771 O ALA A 48 13.215 -6.663 -1.858 1.00 0.00 O ATOM 772 CB ALA A 48 14.371 -8.966 -0.865 1.00 0.00 C ATOM 0 H ALA A 48 13.006 -9.576 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 48 12.338 -9.509 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.143 -8.347 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.658 -9.964 -0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.193 -8.519 -1.424 1.00 0.00 H new ATOM 778 N TYR A 49 11.602 -7.714 -3.045 1.00 0.00 N ATOM 779 CA TYR A 49 11.033 -6.484 -3.569 1.00 0.00 C ATOM 780 C TYR A 49 9.542 -6.655 -3.869 1.00 0.00 C ATOM 781 O TYR A 49 9.143 -7.613 -4.528 1.00 0.00 O ATOM 782 CB TYR A 49 11.775 -6.201 -4.878 1.00 0.00 C ATOM 783 CG TYR A 49 11.508 -7.228 -5.980 1.00 0.00 C ATOM 784 CD1 TYR A 49 12.291 -8.360 -6.071 1.00 0.00 C ATOM 785 CD2 TYR A 49 10.483 -7.022 -6.882 1.00 0.00 C ATOM 786 CE1 TYR A 49 12.040 -9.327 -7.108 1.00 0.00 C ATOM 787 CE2 TYR A 49 10.232 -7.989 -7.919 1.00 0.00 C ATOM 788 CZ TYR A 49 11.023 -9.094 -7.981 1.00 0.00 C ATOM 789 OH TYR A 49 10.785 -10.006 -8.961 1.00 0.00 O ATOM 0 H TYR A 49 11.134 -8.566 -3.353 1.00 0.00 H new ATOM 0 HA TYR A 49 11.136 -5.674 -2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.489 -5.213 -5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 49 12.846 -6.169 -4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.092 -8.521 -5.365 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.870 -6.136 -6.810 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.646 -10.217 -7.191 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.434 -7.840 -8.631 1.00 0.00 H new ATOM 0 HH TYR A 49 10.137 -10.668 -8.641 1.00 0.00 H new ATOM 799 N ALA A 50 8.759 -5.709 -3.370 1.00 0.00 N ATOM 800 CA ALA A 50 7.321 -5.743 -3.575 1.00 0.00 C ATOM 801 C ALA A 50 6.819 -4.327 -3.865 1.00 0.00 C ATOM 802 O ALA A 50 7.409 -3.350 -3.409 1.00 0.00 O ATOM 803 CB ALA A 50 6.645 -6.362 -2.351 1.00 0.00 C ATOM 0 H ALA A 50 9.094 -4.915 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 50 7.070 -6.365 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.566 -6.387 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.015 -7.377 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.872 -5.763 -1.469 1.00 0.00 H new ATOM 809 N LYS A 51 5.734 -4.263 -4.623 1.00 0.00 N ATOM 810 CA LYS A 51 5.146 -2.981 -4.978 1.00 0.00 C ATOM 811 C LYS A 51 3.631 -3.047 -4.772 1.00 0.00 C ATOM 812 O LYS A 51 2.957 -3.893 -5.360 1.00 0.00 O ATOM 813 CB LYS A 51 5.558 -2.579 -6.397 1.00 0.00 C ATOM 814 CG LYS A 51 6.530 -3.597 -6.996 1.00 0.00 C ATOM 815 CD LYS A 51 6.984 -3.166 -8.392 1.00 0.00 C ATOM 816 CE LYS A 51 8.058 -2.081 -8.307 1.00 0.00 C ATOM 817 NZ LYS A 51 8.863 -2.050 -9.548 1.00 0.00 N ATOM 0 H LYS A 51 5.247 -5.076 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 51 5.523 -2.193 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.673 -2.502 -7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.024 -1.594 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.397 -3.704 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.050 -4.574 -7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.374 -4.028 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.130 -2.794 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.590 -1.110 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.706 -2.269 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.588 -1.308 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.325 -2.972 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.243 -1.849 -10.359 1.00 0.00 H new ATOM 830 N VAL A 52 3.141 -2.143 -3.937 1.00 0.00 N ATOM 831 CA VAL A 52 1.718 -2.087 -3.646 1.00 0.00 C ATOM 832 C VAL A 52 1.162 -0.735 -4.100 1.00 0.00 C ATOM 833 O VAL A 52 1.692 0.313 -3.734 1.00 0.00 O ATOM 834 CB VAL A 52 1.476 -2.366 -2.161 1.00 0.00 C ATOM 835 CG1 VAL A 52 1.663 -1.095 -1.329 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.089 -2.971 -1.936 1.00 0.00 C ATOM 0 H VAL A 52 3.703 -1.443 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 52 1.184 -2.860 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 52 2.216 -3.095 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.486 -1.319 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.680 -0.724 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.956 -0.335 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.057 -3.160 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.673 -2.276 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.008 -3.909 -2.485 1.00 0.00 H new ATOM 846 N TYR A 53 0.102 -0.803 -4.891 1.00 0.00 N ATOM 847 CA TYR A 53 -0.533 0.402 -5.398 1.00 0.00 C ATOM 848 C TYR A 53 -1.541 0.956 -4.392 1.00 0.00 C ATOM 849 O TYR A 53 -2.216 0.195 -3.700 1.00 0.00 O ATOM 850 CB TYR A 53 -1.275 -0.015 -6.669 1.00 0.00 C ATOM 851 CG TYR A 53 -1.100 0.957 -7.838 1.00 0.00 C ATOM 852 CD1 TYR A 53 0.127 1.545 -8.070 1.00 0.00 C ATOM 853 CD2 TYR A 53 -2.170 1.245 -8.661 1.00 0.00 C ATOM 854 CE1 TYR A 53 0.291 2.459 -9.171 1.00 0.00 C ATOM 855 CE2 TYR A 53 -2.006 2.158 -9.761 1.00 0.00 C ATOM 856 CZ TYR A 53 -0.784 2.721 -9.962 1.00 0.00 C ATOM 857 OH TYR A 53 -0.630 3.584 -11.002 1.00 0.00 O ATOM 0 H TYR A 53 -0.334 -1.674 -5.194 1.00 0.00 H new ATOM 0 HA TYR A 53 0.210 1.178 -5.583 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.926 -1.001 -6.974 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.337 -0.109 -6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.964 1.320 -7.426 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.130 0.785 -8.479 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.246 2.926 -9.364 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.835 2.391 -10.413 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.510 3.838 -11.350 1.00 0.00 H new ATOM 867 N VAL A 54 -1.614 2.278 -4.341 1.00 0.00 N ATOM 868 CA VAL A 54 -2.529 2.943 -3.429 1.00 0.00 C ATOM 869 C VAL A 54 -2.998 4.259 -4.053 1.00 0.00 C ATOM 870 O VAL A 54 -2.189 5.146 -4.322 1.00 0.00 O ATOM 871 CB VAL A 54 -1.865 3.134 -2.064 1.00 0.00 C ATOM 872 CG1 VAL A 54 -2.330 2.065 -1.072 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.339 3.134 -2.192 1.00 0.00 C ATOM 0 H VAL A 54 -1.054 2.907 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.413 2.328 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.170 4.106 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.843 2.224 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.411 2.131 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.068 1.077 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.109 3.271 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.009 2.183 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.029 3.947 -2.848 1.00 0.00 H new ATOM 883 N THR A 55 -4.303 4.344 -4.268 1.00 0.00 N ATOM 884 CA THR A 55 -4.888 5.537 -4.856 1.00 0.00 C ATOM 885 C THR A 55 -5.625 6.351 -3.789 1.00 0.00 C ATOM 886 O THR A 55 -6.440 5.811 -3.044 1.00 0.00 O ATOM 887 CB THR A 55 -5.788 5.100 -6.013 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.812 6.089 -6.050 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.536 3.798 -5.716 1.00 0.00 C ATOM 0 H THR A 55 -4.971 3.606 -4.046 1.00 0.00 H new ATOM 0 HA THR A 55 -4.119 6.200 -5.254 1.00 0.00 H new ATOM 0 HB THR A 55 -5.185 4.974 -6.912 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.440 5.883 -6.774 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.160 3.534 -6.570 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.817 3.000 -5.531 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.164 3.932 -4.835 1.00 0.00 H new ATOM 897 N PHE A 56 -5.309 7.637 -3.752 1.00 0.00 N ATOM 898 CA PHE A 56 -5.931 8.531 -2.788 1.00 0.00 C ATOM 899 C PHE A 56 -6.710 9.642 -3.495 1.00 0.00 C ATOM 900 O PHE A 56 -6.563 9.838 -4.701 1.00 0.00 O ATOM 901 CB PHE A 56 -4.802 9.159 -1.969 1.00 0.00 C ATOM 902 CG PHE A 56 -3.729 8.164 -1.522 1.00 0.00 C ATOM 903 CD1 PHE A 56 -4.085 6.910 -1.131 1.00 0.00 C ATOM 904 CD2 PHE A 56 -2.420 8.532 -1.515 1.00 0.00 C ATOM 905 CE1 PHE A 56 -3.090 5.988 -0.714 1.00 0.00 C ATOM 906 CE2 PHE A 56 -1.425 7.610 -1.100 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.780 6.356 -0.709 1.00 0.00 C ATOM 0 H PHE A 56 -4.632 8.081 -4.372 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.629 7.976 -2.161 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.331 9.944 -2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.229 9.637 -1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.124 6.617 -1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.138 9.527 -1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.373 4.994 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.386 7.903 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.023 5.653 -0.395 1.00 0.00 H new ATOM 917 N LEU A 57 -7.522 10.339 -2.715 1.00 0.00 N ATOM 918 CA LEU A 57 -8.327 11.424 -3.252 1.00 0.00 C ATOM 919 C LEU A 57 -7.650 12.759 -2.933 1.00 0.00 C ATOM 920 O LEU A 57 -8.275 13.814 -3.025 1.00 0.00 O ATOM 921 CB LEU A 57 -9.766 11.328 -2.742 1.00 0.00 C ATOM 922 CG LEU A 57 -10.822 12.059 -3.574 1.00 0.00 C ATOM 923 CD1 LEU A 57 -11.049 11.355 -4.913 1.00 0.00 C ATOM 924 CD2 LEU A 57 -12.122 12.224 -2.785 1.00 0.00 C ATOM 0 H LEU A 57 -7.640 10.174 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.393 11.349 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.041 10.275 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.797 11.720 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.451 13.059 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.804 11.895 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.115 11.333 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.390 10.335 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.856 12.746 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.509 11.242 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.928 12.801 -1.881 1.00 0.00 H new ATOM 936 N ASN A 58 -6.380 12.669 -2.566 1.00 0.00 N ATOM 937 CA ASN A 58 -5.610 13.857 -2.235 1.00 0.00 C ATOM 938 C ASN A 58 -5.561 14.783 -3.451 1.00 0.00 C ATOM 939 O ASN A 58 -5.544 16.005 -3.305 1.00 0.00 O ATOM 940 CB ASN A 58 -4.172 13.495 -1.857 1.00 0.00 C ATOM 941 CG ASN A 58 -3.985 13.506 -0.338 1.00 0.00 C ATOM 942 OD1 ASN A 58 -3.435 12.590 0.251 1.00 0.00 O ATOM 943 ND2 ASN A 58 -4.471 14.590 0.259 1.00 0.00 N ATOM 0 H ASN A 58 -5.865 11.792 -2.490 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.092 14.346 -1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.926 12.509 -2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.482 14.202 -2.317 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.395 14.692 1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.920 15.319 -0.295 1.00 0.00 H new ATOM 950 N ASP A 59 -5.539 14.168 -4.623 1.00 0.00 N ATOM 951 CA ASP A 59 -5.493 14.922 -5.864 1.00 0.00 C ATOM 952 C ASP A 59 -6.367 16.169 -5.732 1.00 0.00 C ATOM 953 O ASP A 59 -5.969 17.258 -6.145 1.00 0.00 O ATOM 954 CB ASP A 59 -6.026 14.092 -7.034 1.00 0.00 C ATOM 955 CG ASP A 59 -6.526 14.907 -8.229 1.00 0.00 C ATOM 956 OD1 ASP A 59 -5.733 15.356 -9.071 1.00 0.00 O ATOM 957 OD2 ASP A 59 -7.803 15.077 -8.278 1.00 0.00 O ATOM 0 H ASP A 59 -5.552 13.155 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.454 15.190 -6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.236 13.422 -7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.842 13.465 -6.674 1.00 0.00 H new ATOM 963 N LYS A 60 -7.543 15.971 -5.152 1.00 0.00 N ATOM 964 CA LYS A 60 -8.477 17.067 -4.960 1.00 0.00 C ATOM 965 C LYS A 60 -7.705 18.325 -4.558 1.00 0.00 C ATOM 966 O LYS A 60 -8.006 19.419 -5.032 1.00 0.00 O ATOM 967 CB LYS A 60 -9.569 16.670 -3.964 1.00 0.00 C ATOM 968 CG LYS A 60 -10.812 16.156 -4.690 1.00 0.00 C ATOM 969 CD LYS A 60 -11.780 15.484 -3.714 1.00 0.00 C ATOM 970 CE LYS A 60 -12.526 16.525 -2.876 1.00 0.00 C ATOM 971 NZ LYS A 60 -13.988 16.367 -3.037 1.00 0.00 N ATOM 0 H LYS A 60 -7.869 15.068 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.995 17.295 -5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.191 15.899 -3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.833 17.529 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.313 16.984 -5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.518 15.446 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.496 14.876 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.230 14.810 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.256 16.417 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.227 17.528 -3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.480 17.081 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.243 16.493 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.271 15.416 -2.725 1.00 0.00 H new ATOM 984 N ASP A 61 -6.724 18.127 -3.689 1.00 0.00 N ATOM 985 CA ASP A 61 -5.907 19.232 -3.218 1.00 0.00 C ATOM 986 C ASP A 61 -4.430 18.886 -3.412 1.00 0.00 C ATOM 987 O ASP A 61 -3.935 17.919 -2.836 1.00 0.00 O ATOM 988 CB ASP A 61 -6.141 19.495 -1.730 1.00 0.00 C ATOM 989 CG ASP A 61 -7.526 19.101 -1.214 1.00 0.00 C ATOM 990 OD1 ASP A 61 -8.555 19.492 -1.783 1.00 0.00 O ATOM 991 OD2 ASP A 61 -7.524 18.350 -0.164 1.00 0.00 O ATOM 0 H ASP A 61 -6.477 17.217 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.180 20.121 -3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.389 18.952 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.985 20.556 -1.535 1.00 0.00 H new ATOM 997 N GLU A 62 -3.766 19.697 -4.222 1.00 0.00 N ATOM 998 CA GLU A 62 -2.355 19.489 -4.498 1.00 0.00 C ATOM 999 C GLU A 62 -1.524 19.753 -3.241 1.00 0.00 C ATOM 1000 O GLU A 62 -0.384 19.300 -3.139 1.00 0.00 O ATOM 1001 CB GLU A 62 -1.888 20.369 -5.660 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.655 19.768 -6.341 1.00 0.00 C ATOM 1003 CD GLU A 62 0.534 20.729 -6.266 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.575 21.596 -5.381 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.437 20.549 -7.169 1.00 0.00 O ATOM 0 H GLU A 62 -4.179 20.500 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.211 18.449 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.693 20.476 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.655 21.369 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.395 18.824 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.883 19.546 -7.384 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.126 20.485 -2.315 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.456 20.817 -1.069 1.00 0.00 C ATOM 1015 C ASP A 63 -1.417 19.577 -0.173 1.00 0.00 C ATOM 1016 O ASP A 63 -0.392 19.282 0.439 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.201 21.920 -0.319 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.350 23.135 0.059 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -0.548 23.083 1.004 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -1.537 24.180 -0.671 1.00 0.00 O ATOM 0 H ASP A 63 -3.071 20.858 -2.403 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.450 21.162 -1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.035 22.257 -0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.627 21.496 0.591 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.546 18.887 -0.122 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.655 17.687 0.690 1.00 0.00 C ATOM 1028 C ALA A 64 -1.986 16.520 -0.039 1.00 0.00 C ATOM 1029 O ALA A 64 -1.605 15.531 0.584 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.128 17.412 1.001 1.00 0.00 C ATOM 0 H ALA A 64 -3.395 19.136 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.140 17.820 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.209 16.512 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.549 18.257 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.676 17.271 0.070 1.00 0.00 H new ATOM 1036 N VAL A 65 -1.863 16.675 -1.348 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.246 15.648 -2.169 1.00 0.00 C ATOM 1038 C VAL A 65 0.269 15.671 -1.957 1.00 0.00 C ATOM 1039 O VAL A 65 0.900 14.622 -1.835 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.646 15.836 -3.634 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.485 16.407 -4.450 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.149 14.524 -4.240 1.00 0.00 C ATOM 0 H VAL A 65 -2.180 17.497 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.601 14.661 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.465 16.555 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.796 16.531 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.194 17.374 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.363 15.723 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.426 14.687 -5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.361 13.773 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.019 14.176 -3.683 1.00 0.00 H new ATOM 1052 N LYS A 66 0.811 16.880 -1.917 1.00 0.00 N ATOM 1053 CA LYS A 66 2.239 17.054 -1.720 1.00 0.00 C ATOM 1054 C LYS A 66 2.596 16.715 -0.271 1.00 0.00 C ATOM 1055 O LYS A 66 3.413 15.833 -0.020 1.00 0.00 O ATOM 1056 CB LYS A 66 2.672 18.458 -2.147 1.00 0.00 C ATOM 1057 CG LYS A 66 4.188 18.623 -2.033 1.00 0.00 C ATOM 1058 CD LYS A 66 4.545 19.915 -1.294 1.00 0.00 C ATOM 1059 CE LYS A 66 6.020 19.926 -0.889 1.00 0.00 C ATOM 1060 NZ LYS A 66 6.658 21.199 -1.288 1.00 0.00 N ATOM 0 H LYS A 66 0.286 17.748 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 66 2.797 16.366 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.359 18.642 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.174 19.201 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.612 17.769 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.632 18.635 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.333 20.773 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.920 20.015 -0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.108 19.791 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.538 19.090 -1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.659 21.189 -1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.591 21.313 -2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.174 21.992 -0.820 1.00 0.00 H new ATOM 1073 N ALA A 67 1.963 17.435 0.644 1.00 0.00 N ATOM 1074 CA ALA A 67 2.202 17.223 2.061 1.00 0.00 C ATOM 1075 C ALA A 67 1.823 15.786 2.427 1.00 0.00 C ATOM 1076 O ALA A 67 2.635 15.050 2.987 1.00 0.00 O ATOM 1077 CB ALA A 67 1.421 18.258 2.873 1.00 0.00 C ATOM 0 H ALA A 67 1.285 18.166 0.431 1.00 0.00 H new ATOM 0 HA ALA A 67 3.258 17.356 2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.601 18.098 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.749 19.260 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.356 18.155 2.666 1.00 0.00 H new ATOM 1083 N GLY A 68 0.591 15.431 2.097 1.00 0.00 N ATOM 1084 CA GLY A 68 0.094 14.097 2.385 1.00 0.00 C ATOM 1085 C GLY A 68 1.085 13.029 1.918 1.00 0.00 C ATOM 1086 O GLY A 68 1.599 12.258 2.727 1.00 0.00 O ATOM 0 H GLY A 68 -0.079 16.044 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.080 13.993 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.866 13.948 1.891 1.00 0.00 H new ATOM 1090 N ILE A 69 1.325 13.020 0.615 1.00 0.00 N ATOM 1091 CA ILE A 69 2.246 12.060 0.031 1.00 0.00 C ATOM 1092 C ILE A 69 3.618 12.210 0.690 1.00 0.00 C ATOM 1093 O ILE A 69 4.381 11.249 0.770 1.00 0.00 O ATOM 1094 CB ILE A 69 2.277 12.207 -1.493 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.596 10.870 -2.165 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.249 13.309 -1.918 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.706 11.031 -3.682 1.00 0.00 C ATOM 0 H ILE A 69 0.898 13.662 -0.053 1.00 0.00 H new ATOM 0 HA ILE A 69 1.908 11.042 0.224 1.00 0.00 H new ATOM 0 HB ILE A 69 1.284 12.508 -1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.531 10.474 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.817 10.145 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.252 13.392 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.936 14.258 -1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.252 13.063 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.933 10.066 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.761 11.404 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.502 11.738 -3.916 1.00 0.00 H new ATOM 1109 N LYS A 70 3.891 13.425 1.146 1.00 0.00 N ATOM 1110 CA LYS A 70 5.158 13.713 1.796 1.00 0.00 C ATOM 1111 C LYS A 70 5.212 12.986 3.142 1.00 0.00 C ATOM 1112 O LYS A 70 6.288 12.618 3.609 1.00 0.00 O ATOM 1113 CB LYS A 70 5.374 15.223 1.904 1.00 0.00 C ATOM 1114 CG LYS A 70 6.226 15.741 0.742 1.00 0.00 C ATOM 1115 CD LYS A 70 6.875 17.080 1.091 1.00 0.00 C ATOM 1116 CE LYS A 70 8.209 16.872 1.812 1.00 0.00 C ATOM 1117 NZ LYS A 70 9.223 17.829 1.314 1.00 0.00 N ATOM 0 H LYS A 70 3.256 14.220 1.078 1.00 0.00 H new ATOM 0 HA LYS A 70 5.988 13.338 1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.410 15.732 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.862 15.457 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.998 15.011 0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.605 15.855 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.036 17.658 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.203 17.660 1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.073 17.003 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.557 15.851 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.122 17.674 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.365 17.685 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.896 18.801 1.484 1.00 0.00 H new ATOM 1130 N ALA A 71 4.037 12.805 3.727 1.00 0.00 N ATOM 1131 CA ALA A 71 3.938 12.130 5.010 1.00 0.00 C ATOM 1132 C ALA A 71 4.073 10.620 4.799 1.00 0.00 C ATOM 1133 O ALA A 71 4.744 9.939 5.574 1.00 0.00 O ATOM 1134 CB ALA A 71 2.618 12.507 5.685 1.00 0.00 C ATOM 0 H ALA A 71 3.147 13.114 3.337 1.00 0.00 H new ATOM 0 HA ALA A 71 4.745 12.445 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.544 12.001 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.583 13.586 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.785 12.204 5.050 1.00 0.00 H new ATOM 1140 N LEU A 72 3.426 10.142 3.746 1.00 0.00 N ATOM 1141 CA LEU A 72 3.467 8.725 3.424 1.00 0.00 C ATOM 1142 C LEU A 72 4.895 8.333 3.045 1.00 0.00 C ATOM 1143 O LEU A 72 5.308 7.194 3.258 1.00 0.00 O ATOM 1144 CB LEU A 72 2.431 8.390 2.349 1.00 0.00 C ATOM 1145 CG LEU A 72 0.965 8.566 2.753 1.00 0.00 C ATOM 1146 CD1 LEU A 72 0.029 8.129 1.622 1.00 0.00 C ATOM 1147 CD2 LEU A 72 0.664 7.833 4.061 1.00 0.00 C ATOM 0 H LEU A 72 2.871 10.710 3.105 1.00 0.00 H new ATOM 0 HA LEU A 72 3.194 8.129 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.625 9.016 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.580 7.356 2.038 1.00 0.00 H new ATOM 0 HG LEU A 72 0.784 9.626 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.007 8.264 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.222 8.733 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.204 7.078 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.384 7.975 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.866 6.769 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.295 8.232 4.855 1.00 0.00 H new ATOM 1159 N GLN A 73 5.612 9.298 2.487 1.00 0.00 N ATOM 1160 CA GLN A 73 6.986 9.069 2.075 1.00 0.00 C ATOM 1161 C GLN A 73 7.920 9.130 3.285 1.00 0.00 C ATOM 1162 O GLN A 73 8.761 8.252 3.470 1.00 0.00 O ATOM 1163 CB GLN A 73 7.411 10.072 1.002 1.00 0.00 C ATOM 1164 CG GLN A 73 8.352 11.131 1.583 1.00 0.00 C ATOM 1165 CD GLN A 73 8.868 12.065 0.487 1.00 0.00 C ATOM 1166 OE1 GLN A 73 8.239 12.270 -0.538 1.00 0.00 O ATOM 1167 NE2 GLN A 73 10.047 12.620 0.761 1.00 0.00 N ATOM 0 H GLN A 73 5.266 10.241 2.311 1.00 0.00 H new ATOM 0 HA GLN A 73 7.053 8.072 1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.907 9.548 0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.529 10.555 0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.828 11.711 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.193 10.644 2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.520 12.405 1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.477 13.260 0.093 1.00 0.00 H new ATOM 1176 N GLU A 74 7.741 10.176 4.078 1.00 0.00 N ATOM 1177 CA GLU A 74 8.557 10.365 5.266 1.00 0.00 C ATOM 1178 C GLU A 74 8.318 9.226 6.260 1.00 0.00 C ATOM 1179 O GLU A 74 9.147 8.977 7.134 1.00 0.00 O ATOM 1180 CB GLU A 74 8.281 11.724 5.912 1.00 0.00 C ATOM 1181 CG GLU A 74 7.091 11.643 6.871 1.00 0.00 C ATOM 1182 CD GLU A 74 7.565 11.525 8.321 1.00 0.00 C ATOM 1183 OE1 GLU A 74 7.998 10.443 8.746 1.00 0.00 O ATOM 1184 OE2 GLU A 74 7.469 12.608 9.015 1.00 0.00 O ATOM 0 H GLU A 74 7.042 10.902 3.921 1.00 0.00 H new ATOM 0 HA GLU A 74 9.606 10.349 4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.166 12.060 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.079 12.465 5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.468 12.530 6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.471 10.784 6.616 1.00 0.00 H new ATOM 1192 N ALA A 75 7.181 8.566 6.092 1.00 0.00 N ATOM 1193 CA ALA A 75 6.824 7.460 6.964 1.00 0.00 C ATOM 1194 C ALA A 75 6.884 6.152 6.171 1.00 0.00 C ATOM 1195 O ALA A 75 6.285 5.153 6.569 1.00 0.00 O ATOM 1196 CB ALA A 75 5.441 7.713 7.569 1.00 0.00 C ATOM 0 H ALA A 75 6.496 8.776 5.366 1.00 0.00 H new ATOM 0 HA ALA A 75 7.531 7.378 7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.173 6.883 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.460 8.638 8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.704 7.798 6.770 1.00 0.00 H new ATOM 1202 N SER A 76 7.611 6.200 5.065 1.00 0.00 N ATOM 1203 CA SER A 76 7.756 5.031 4.215 1.00 0.00 C ATOM 1204 C SER A 76 8.270 3.847 5.036 1.00 0.00 C ATOM 1205 O SER A 76 7.512 2.933 5.354 1.00 0.00 O ATOM 1206 CB SER A 76 8.701 5.316 3.045 1.00 0.00 C ATOM 1207 OG SER A 76 8.158 6.276 2.142 1.00 0.00 O ATOM 0 H SER A 76 8.106 7.030 4.738 1.00 0.00 H new ATOM 0 HA SER A 76 6.777 4.782 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.655 5.678 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.905 4.389 2.509 1.00 0.00 H new ATOM 0 HG SER A 76 8.697 7.094 2.171 1.00 0.00 H new ATOM 1213 N GLY A 77 9.555 3.901 5.354 1.00 0.00 N ATOM 1214 CA GLY A 77 10.179 2.843 6.131 1.00 0.00 C ATOM 1215 C GLY A 77 9.312 2.463 7.332 1.00 0.00 C ATOM 1216 O GLY A 77 9.423 1.354 7.855 1.00 0.00 O ATOM 0 H GLY A 77 10.181 4.661 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.337 1.968 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.160 3.169 6.475 1.00 0.00 H new ATOM 1220 N PHE A 78 8.469 3.402 7.735 1.00 0.00 N ATOM 1221 CA PHE A 78 7.584 3.178 8.865 1.00 0.00 C ATOM 1222 C PHE A 78 6.461 2.206 8.499 1.00 0.00 C ATOM 1223 O PHE A 78 6.150 1.294 9.262 1.00 0.00 O ATOM 1224 CB PHE A 78 6.972 4.532 9.230 1.00 0.00 C ATOM 1225 CG PHE A 78 7.339 5.025 10.630 1.00 0.00 C ATOM 1226 CD1 PHE A 78 6.899 4.351 11.727 1.00 0.00 C ATOM 1227 CD2 PHE A 78 8.107 6.138 10.780 1.00 0.00 C ATOM 1228 CE1 PHE A 78 7.240 4.808 13.026 1.00 0.00 C ATOM 1229 CE2 PHE A 78 8.448 6.594 12.081 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.007 5.921 13.175 1.00 0.00 C ATOM 0 H PHE A 78 8.380 4.320 7.299 1.00 0.00 H new ATOM 0 HA PHE A 78 8.144 2.747 9.695 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.295 5.273 8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.887 4.461 9.154 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.290 3.467 11.609 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.457 6.674 9.910 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.891 4.272 13.896 1.00 0.00 H new ATOM 0 HE2 PHE A 78 9.059 7.477 12.200 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.266 6.270 14.164 1.00 0.00 H new ATOM 1240 N ILE A 79 5.883 2.435 7.329 1.00 0.00 N ATOM 1241 CA ILE A 79 4.801 1.590 6.851 1.00 0.00 C ATOM 1242 C ILE A 79 5.364 0.227 6.446 1.00 0.00 C ATOM 1243 O ILE A 79 4.755 -0.806 6.720 1.00 0.00 O ATOM 1244 CB ILE A 79 4.027 2.294 5.734 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.973 2.780 4.633 1.00 0.00 C ATOM 1246 CG2 ILE A 79 3.165 3.428 6.291 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.206 3.076 3.343 1.00 0.00 C ATOM 0 H ILE A 79 6.143 3.193 6.698 1.00 0.00 H new ATOM 0 HA ILE A 79 4.077 1.411 7.646 1.00 0.00 H new ATOM 0 HB ILE A 79 3.350 1.570 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.493 3.678 4.966 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.734 2.023 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.627 3.910 5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.451 3.024 7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.803 4.160 6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.901 3.420 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.707 2.169 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.462 3.850 3.531 1.00 0.00 H new ATOM 1259 N ARG A 80 6.520 0.269 5.799 1.00 0.00 N ATOM 1260 CA ARG A 80 7.172 -0.951 5.354 1.00 0.00 C ATOM 1261 C ARG A 80 7.630 -1.777 6.557 1.00 0.00 C ATOM 1262 O ARG A 80 7.379 -2.979 6.622 1.00 0.00 O ATOM 1263 CB ARG A 80 8.380 -0.638 4.469 1.00 0.00 C ATOM 1264 CG ARG A 80 9.145 -1.914 4.114 1.00 0.00 C ATOM 1265 CD ARG A 80 10.323 -1.607 3.187 1.00 0.00 C ATOM 1266 NE ARG A 80 11.594 -1.977 3.846 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.165 -3.198 3.761 1.00 0.00 C ATOM 1268 NH1 ARG A 80 11.578 -4.180 3.044 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.304 -3.419 4.393 1.00 0.00 N ATOM 0 H ARG A 80 7.021 1.128 5.573 1.00 0.00 H new ATOM 0 HA ARG A 80 6.448 -1.521 4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.048 -0.143 3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.043 0.056 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.509 -2.390 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.473 -2.623 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.214 -2.158 2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.330 -0.547 2.933 1.00 0.00 H new ATOM 0 HE ARG A 80 12.070 -1.265 4.400 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.697 -4.002 2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.016 -5.099 2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.739 -2.673 4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.748 -4.336 4.339 1.00 0.00 H new ATOM 1282 N SER A 81 8.297 -1.099 7.481 1.00 0.00 N ATOM 1283 CA SER A 81 8.793 -1.756 8.677 1.00 0.00 C ATOM 1284 C SER A 81 7.623 -2.158 9.578 1.00 0.00 C ATOM 1285 O SER A 81 7.676 -3.186 10.249 1.00 0.00 O ATOM 1286 CB SER A 81 9.762 -0.851 9.440 1.00 0.00 C ATOM 1287 OG SER A 81 10.294 -1.492 10.596 1.00 0.00 O ATOM 0 H SER A 81 8.505 -0.102 7.424 1.00 0.00 H new ATOM 0 HA SER A 81 9.335 -2.652 8.375 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.579 -0.557 8.781 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.247 0.063 9.737 1.00 0.00 H new ATOM 0 HG SER A 81 10.909 -0.882 11.054 1.00 0.00 H new ATOM 1293 N LEU A 82 6.592 -1.325 9.562 1.00 0.00 N ATOM 1294 CA LEU A 82 5.411 -1.580 10.368 1.00 0.00 C ATOM 1295 C LEU A 82 4.726 -2.855 9.872 1.00 0.00 C ATOM 1296 O LEU A 82 4.166 -3.612 10.665 1.00 0.00 O ATOM 1297 CB LEU A 82 4.495 -0.354 10.380 1.00 0.00 C ATOM 1298 CG LEU A 82 3.143 -0.534 11.072 1.00 0.00 C ATOM 1299 CD1 LEU A 82 2.713 0.752 11.778 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.083 -1.029 10.085 1.00 0.00 C ATOM 0 H LEU A 82 6.551 -0.473 9.003 1.00 0.00 H new ATOM 0 HA LEU A 82 5.689 -1.751 11.408 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.024 0.465 10.867 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.315 -0.049 9.349 1.00 0.00 H new ATOM 0 HG LEU A 82 3.251 -1.301 11.839 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.749 0.597 12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.456 1.021 12.529 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.627 1.557 11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.131 -1.149 10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.969 -0.304 9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.393 -1.988 9.669 1.00 0.00 H new ATOM 1312 N LEU A 83 4.793 -3.054 8.564 1.00 0.00 N ATOM 1313 CA LEU A 83 4.187 -4.225 7.954 1.00 0.00 C ATOM 1314 C LEU A 83 4.970 -5.473 8.364 1.00 0.00 C ATOM 1315 O LEU A 83 4.408 -6.398 8.950 1.00 0.00 O ATOM 1316 CB LEU A 83 4.073 -4.041 6.439 1.00 0.00 C ATOM 1317 CG LEU A 83 3.122 -2.939 5.967 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.671 -2.236 4.724 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.714 -3.492 5.735 1.00 0.00 C ATOM 0 H LEU A 83 5.258 -2.424 7.910 1.00 0.00 H new ATOM 0 HA LEU A 83 3.167 -4.357 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.066 -3.831 6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.749 -4.985 6.002 1.00 0.00 H new ATOM 0 HG LEU A 83 3.049 -2.190 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.976 -1.458 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.637 -1.788 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.792 -2.961 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.058 -2.688 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.750 -4.272 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.330 -3.910 6.665 1.00 0.00 H new ATOM 1331 N GLY A 84 6.256 -5.458 8.041 1.00 0.00 N ATOM 1332 CA GLY A 84 7.122 -6.578 8.370 1.00 0.00 C ATOM 1333 C GLY A 84 6.903 -7.037 9.813 1.00 0.00 C ATOM 1334 O GLY A 84 6.693 -8.221 10.067 1.00 0.00 O ATOM 0 H GLY A 84 6.718 -4.689 7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.927 -7.406 7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.164 -6.289 8.231 1.00 0.00 H new ATOM 1338 N LYS A 85 6.958 -6.073 10.721 1.00 0.00 N ATOM 1339 CA LYS A 85 6.767 -6.363 12.132 1.00 0.00 C ATOM 1340 C LYS A 85 5.311 -6.758 12.375 1.00 0.00 C ATOM 1341 O LYS A 85 5.033 -7.686 13.134 1.00 0.00 O ATOM 1342 CB LYS A 85 7.237 -5.184 12.989 1.00 0.00 C ATOM 1343 CG LYS A 85 8.645 -5.431 13.536 1.00 0.00 C ATOM 1344 CD LYS A 85 8.948 -4.497 14.709 1.00 0.00 C ATOM 1345 CE LYS A 85 9.308 -3.095 14.214 1.00 0.00 C ATOM 1346 NZ LYS A 85 9.067 -2.093 15.277 1.00 0.00 N ATOM 0 H LYS A 85 7.132 -5.091 10.507 1.00 0.00 H new ATOM 0 HA LYS A 85 7.381 -7.212 12.433 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.229 -4.271 12.394 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.543 -5.031 13.816 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.737 -6.468 13.859 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.379 -5.277 12.745 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.082 -4.443 15.368 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.772 -4.902 15.297 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.355 -3.068 13.910 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.714 -2.850 13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.316 -1.147 14.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.063 -2.108 15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.652 -2.319 16.106 1.00 0.00 H new ATOM 1359 N ALA A 86 4.416 -6.035 11.716 1.00 0.00 N ATOM 1360 CA ALA A 86 2.993 -6.298 11.851 1.00 0.00 C ATOM 1361 C ALA A 86 2.698 -7.727 11.388 1.00 0.00 C ATOM 1362 O ALA A 86 1.779 -8.369 11.895 1.00 0.00 O ATOM 1363 CB ALA A 86 2.203 -5.253 11.062 1.00 0.00 C ATOM 0 H ALA A 86 4.649 -5.267 11.087 1.00 0.00 H new ATOM 0 HA ALA A 86 2.684 -6.219 12.893 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.136 -5.451 11.163 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.426 -4.259 11.450 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.483 -5.303 10.010 1.00 0.00 H new ATOM 1369 N MET A 87 3.493 -8.181 10.432 1.00 0.00 N ATOM 1370 CA MET A 87 3.327 -9.521 9.895 1.00 0.00 C ATOM 1371 C MET A 87 4.497 -10.422 10.300 1.00 0.00 C ATOM 1372 O MET A 87 4.643 -11.525 9.777 1.00 0.00 O ATOM 1373 CB MET A 87 3.242 -9.452 8.368 1.00 0.00 C ATOM 1374 CG MET A 87 2.065 -10.280 7.848 1.00 0.00 C ATOM 1375 SD MET A 87 2.320 -10.690 6.129 1.00 0.00 S ATOM 1376 CE MET A 87 1.964 -9.111 5.377 1.00 0.00 C ATOM 0 H MET A 87 4.254 -7.645 10.015 1.00 0.00 H new ATOM 0 HA MET A 87 2.408 -9.944 10.301 1.00 0.00 H new ATOM 0 HB2 MET A 87 3.129 -8.415 8.053 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.171 -9.819 7.931 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.963 -11.192 8.437 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.137 -9.720 7.963 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.239 -9.245 4.574 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.554 -8.435 6.127 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.882 -8.687 4.969 1.00 0.00 H new ATOM 1386 N ARG A 88 5.295 -9.919 11.229 1.00 0.00 N ATOM 1387 CA ARG A 88 6.445 -10.664 11.711 1.00 0.00 C ATOM 1388 C ARG A 88 6.892 -11.686 10.664 1.00 0.00 C ATOM 1389 O ARG A 88 6.625 -12.879 10.802 1.00 0.00 O ATOM 1390 CB ARG A 88 6.121 -11.392 13.018 1.00 0.00 C ATOM 1391 CG ARG A 88 6.362 -10.484 14.225 1.00 0.00 C ATOM 1392 CD ARG A 88 6.418 -11.296 15.520 1.00 0.00 C ATOM 1393 NE ARG A 88 6.306 -10.395 16.689 1.00 0.00 N ATOM 1394 CZ ARG A 88 5.151 -9.834 17.103 1.00 0.00 C ATOM 1395 NH1 ARG A 88 3.996 -10.076 16.447 1.00 0.00 N ATOM 1396 NH2 ARG A 88 5.168 -9.043 18.160 1.00 0.00 N ATOM 0 H ARG A 88 5.168 -9.004 11.661 1.00 0.00 H new ATOM 0 HA ARG A 88 7.249 -9.951 11.895 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.082 -11.721 13.007 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.738 -12.287 13.103 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.296 -9.938 14.093 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.566 -9.742 14.291 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.610 -12.027 15.535 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.353 -11.854 15.569 1.00 0.00 H new ATOM 0 HE ARG A 88 7.155 -10.185 17.214 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.992 -10.688 15.631 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.128 -9.647 16.768 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.045 -8.865 18.649 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.304 -8.610 18.487 1.00 0.00 H new ATOM 1409 N LEU A 89 7.565 -11.181 9.640 1.00 0.00 N ATOM 1410 CA LEU A 89 8.051 -12.035 8.569 1.00 0.00 C ATOM 1411 C LEU A 89 9.580 -11.994 8.545 1.00 0.00 C ATOM 1412 O LEU A 89 10.214 -11.751 9.572 1.00 0.00 O ATOM 1413 CB LEU A 89 7.405 -11.647 7.238 1.00 0.00 C ATOM 1414 CG LEU A 89 6.946 -12.806 6.352 1.00 0.00 C ATOM 1415 CD1 LEU A 89 5.843 -13.616 7.034 1.00 0.00 C ATOM 1416 CD2 LEU A 89 6.520 -12.304 4.970 1.00 0.00 C ATOM 0 H LEU A 89 7.785 -10.191 9.529 1.00 0.00 H new ATOM 0 HA LEU A 89 7.761 -13.071 8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.544 -11.012 7.446 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.116 -11.044 6.674 1.00 0.00 H new ATOM 0 HG LEU A 89 7.791 -13.478 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.536 -14.433 6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.218 -14.023 7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.988 -12.970 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.198 -13.148 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.696 -11.599 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.362 -11.808 4.488 1.00 0.00 H new ATOM 1428 N ARG A 90 10.128 -12.234 7.364 1.00 0.00 N ATOM 1429 CA ARG A 90 11.571 -12.228 7.192 1.00 0.00 C ATOM 1430 C ARG A 90 11.939 -11.691 5.807 1.00 0.00 C ATOM 1431 O ARG A 90 12.843 -10.867 5.677 1.00 0.00 O ATOM 1432 CB ARG A 90 12.152 -13.634 7.357 1.00 0.00 C ATOM 1433 CG ARG A 90 13.615 -13.678 6.914 1.00 0.00 C ATOM 1434 CD ARG A 90 14.481 -14.396 7.952 1.00 0.00 C ATOM 1435 NE ARG A 90 15.665 -14.996 7.295 1.00 0.00 N ATOM 1436 CZ ARG A 90 16.419 -15.972 7.843 1.00 0.00 C ATOM 1437 NH1 ARG A 90 16.120 -16.467 9.063 1.00 0.00 N ATOM 1438 NH2 ARG A 90 17.456 -16.435 7.168 1.00 0.00 N ATOM 0 H ARG A 90 9.599 -12.434 6.515 1.00 0.00 H new ATOM 0 HA ARG A 90 11.993 -11.580 7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.075 -13.943 8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.569 -14.343 6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.693 -14.189 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.985 -12.663 6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.799 -13.693 8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.899 -15.172 8.450 1.00 0.00 H new ATOM 0 HE ARG A 90 15.927 -14.650 6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.318 -16.103 9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.696 -17.205 9.469 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.676 -16.055 6.247 1.00 0.00 H new ATOM 0 HH22 ARG A 90 18.036 -17.173 7.567 1.00 0.00 H new ATOM 1451 N ILE A 91 11.220 -12.179 4.808 1.00 0.00 N ATOM 1452 CA ILE A 91 11.458 -11.760 3.438 1.00 0.00 C ATOM 1453 C ILE A 91 11.682 -10.246 3.405 1.00 0.00 C ATOM 1454 O ILE A 91 12.431 -9.744 2.569 1.00 0.00 O ATOM 1455 CB ILE A 91 10.326 -12.234 2.526 1.00 0.00 C ATOM 1456 CG1 ILE A 91 8.963 -11.997 3.177 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.523 -13.696 2.122 1.00 0.00 C ATOM 1458 CD1 ILE A 91 7.953 -11.462 2.159 1.00 0.00 C ATOM 0 H ILE A 91 10.471 -12.862 4.920 1.00 0.00 H new ATOM 0 HA ILE A 91 12.363 -12.226 3.049 1.00 0.00 H new ATOM 0 HB ILE A 91 10.353 -11.642 1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.594 -12.929 3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.067 -11.288 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.704 -14.008 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.468 -13.802 1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.537 -14.321 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.992 -11.302 2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.313 -10.518 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.833 -12.184 1.352 1.00 0.00 H new ATOM 1470 N VAL A 92 11.017 -9.562 4.324 1.00 0.00 N ATOM 1471 CA VAL A 92 11.132 -8.116 4.412 1.00 0.00 C ATOM 1472 C VAL A 92 11.542 -7.560 3.046 1.00 0.00 C ATOM 1473 O VAL A 92 12.591 -6.928 2.919 1.00 0.00 O ATOM 1474 CB VAL A 92 12.105 -7.735 5.529 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.120 -6.222 5.749 1.00 0.00 C ATOM 1476 CG2 VAL A 92 11.768 -8.475 6.825 1.00 0.00 C ATOM 0 H VAL A 92 10.396 -9.983 5.015 1.00 0.00 H new ATOM 0 HA VAL A 92 10.172 -7.670 4.671 1.00 0.00 H new ATOM 0 HB VAL A 92 13.106 -8.038 5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 92 12.820 -5.977 6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 92 12.430 -5.724 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.121 -5.885 6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.475 -8.186 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.757 -8.217 7.139 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.832 -9.550 6.657 1.00 0.00 H new ATOM 1486 N PRO A 93 10.673 -7.819 2.035 1.00 0.00 N ATOM 1487 CA PRO A 93 10.933 -7.350 0.684 1.00 0.00 C ATOM 1488 C PRO A 93 10.676 -5.846 0.567 1.00 0.00 C ATOM 1489 O PRO A 93 9.984 -5.264 1.401 1.00 0.00 O ATOM 1490 CB PRO A 93 10.021 -8.181 -0.203 1.00 0.00 C ATOM 1491 CG PRO A 93 8.953 -8.752 0.715 1.00 0.00 C ATOM 1492 CD PRO A 93 9.420 -8.562 2.149 1.00 0.00 C ATOM 0 HA PRO A 93 11.975 -7.475 0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.575 -7.569 -0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.577 -8.977 -0.698 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.001 -8.246 0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.793 -9.809 0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.685 -8.011 2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.571 -9.520 2.647 1.00 0.00 H new ATOM 1500 N GLU A 94 11.246 -5.261 -0.476 1.00 0.00 N ATOM 1501 CA GLU A 94 11.086 -3.836 -0.715 1.00 0.00 C ATOM 1502 C GLU A 94 9.631 -3.515 -1.054 1.00 0.00 C ATOM 1503 O GLU A 94 9.341 -2.993 -2.130 1.00 0.00 O ATOM 1504 CB GLU A 94 12.026 -3.358 -1.823 1.00 0.00 C ATOM 1505 CG GLU A 94 12.858 -2.159 -1.358 1.00 0.00 C ATOM 1506 CD GLU A 94 14.031 -1.905 -2.306 1.00 0.00 C ATOM 1507 OE1 GLU A 94 15.064 -2.582 -2.208 1.00 0.00 O ATOM 1508 OE2 GLU A 94 13.841 -0.966 -3.169 1.00 0.00 O ATOM 0 H GLU A 94 11.819 -5.747 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 94 11.352 -3.302 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.688 -4.172 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.446 -3.083 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.227 -1.271 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.233 -2.341 -0.351 1.00 0.00 H new ATOM 1516 N LEU A 95 8.752 -3.838 -0.116 1.00 0.00 N ATOM 1517 CA LEU A 95 7.333 -3.590 -0.302 1.00 0.00 C ATOM 1518 C LEU A 95 7.078 -2.081 -0.296 1.00 0.00 C ATOM 1519 O LEU A 95 6.833 -1.494 0.756 1.00 0.00 O ATOM 1520 CB LEU A 95 6.513 -4.356 0.738 1.00 0.00 C ATOM 1521 CG LEU A 95 5.267 -5.072 0.216 1.00 0.00 C ATOM 1522 CD1 LEU A 95 4.318 -5.426 1.363 1.00 0.00 C ATOM 1523 CD2 LEU A 95 4.572 -4.245 -0.868 1.00 0.00 C ATOM 0 H LEU A 95 8.996 -4.270 0.775 1.00 0.00 H new ATOM 0 HA LEU A 95 7.005 -3.966 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.161 -5.095 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.207 -3.657 1.516 1.00 0.00 H new ATOM 0 HG LEU A 95 5.580 -6.009 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.440 -5.934 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.828 -6.082 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.009 -4.514 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.689 -4.777 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.274 -3.281 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.258 -4.086 -1.700 1.00 0.00 H new ATOM 1535 N THR A 96 7.145 -1.497 -1.482 1.00 0.00 N ATOM 1536 CA THR A 96 6.926 -0.068 -1.627 1.00 0.00 C ATOM 1537 C THR A 96 5.446 0.220 -1.886 1.00 0.00 C ATOM 1538 O THR A 96 4.689 -0.678 -2.253 1.00 0.00 O ATOM 1539 CB THR A 96 7.848 0.442 -2.737 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.064 1.812 -2.406 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.151 0.493 -4.099 1.00 0.00 C ATOM 0 H THR A 96 7.348 -1.988 -2.353 1.00 0.00 H new ATOM 0 HA THR A 96 7.173 0.466 -0.709 1.00 0.00 H new ATOM 0 HB THR A 96 8.727 -0.199 -2.803 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.654 2.221 -3.074 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.849 0.861 -4.851 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.816 -0.507 -4.374 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.292 1.161 -4.043 1.00 0.00 H new ATOM 1549 N PHE A 97 5.076 1.477 -1.686 1.00 0.00 N ATOM 1550 CA PHE A 97 3.699 1.895 -1.892 1.00 0.00 C ATOM 1551 C PHE A 97 3.620 3.024 -2.922 1.00 0.00 C ATOM 1552 O PHE A 97 4.081 4.135 -2.668 1.00 0.00 O ATOM 1553 CB PHE A 97 3.182 2.409 -0.548 1.00 0.00 C ATOM 1554 CG PHE A 97 3.813 3.729 -0.102 1.00 0.00 C ATOM 1555 CD1 PHE A 97 5.084 3.748 0.377 1.00 0.00 C ATOM 1556 CD2 PHE A 97 3.099 4.885 -0.184 1.00 0.00 C ATOM 1557 CE1 PHE A 97 5.670 4.974 0.792 1.00 0.00 C ATOM 1558 CE2 PHE A 97 3.684 6.110 0.230 1.00 0.00 C ATOM 1559 CZ PHE A 97 4.958 6.129 0.710 1.00 0.00 C ATOM 0 H PHE A 97 5.706 2.220 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 97 3.106 1.059 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.101 2.538 -0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.369 1.653 0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.650 2.830 0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.088 4.870 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.681 4.988 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.118 7.028 0.164 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.403 7.061 1.025 1.00 0.00 H new ATOM 1569 N PHE A 98 3.028 2.699 -4.063 1.00 0.00 N ATOM 1570 CA PHE A 98 2.881 3.672 -5.132 1.00 0.00 C ATOM 1571 C PHE A 98 1.566 4.443 -4.995 1.00 0.00 C ATOM 1572 O PHE A 98 0.488 3.862 -5.106 1.00 0.00 O ATOM 1573 CB PHE A 98 2.866 2.892 -6.448 1.00 0.00 C ATOM 1574 CG PHE A 98 4.057 3.189 -7.361 1.00 0.00 C ATOM 1575 CD1 PHE A 98 4.271 4.454 -7.810 1.00 0.00 C ATOM 1576 CD2 PHE A 98 4.902 2.186 -7.724 1.00 0.00 C ATOM 1577 CE1 PHE A 98 5.377 4.729 -8.657 1.00 0.00 C ATOM 1578 CE2 PHE A 98 6.007 2.461 -8.571 1.00 0.00 C ATOM 1579 CZ PHE A 98 6.222 3.727 -9.019 1.00 0.00 C ATOM 0 H PHE A 98 2.645 1.776 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 98 3.699 4.392 -5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.849 1.825 -6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.945 3.121 -6.984 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.600 5.250 -7.523 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.732 1.181 -7.368 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.547 5.734 -9.014 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.677 1.665 -8.860 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.064 3.937 -9.662 1.00 0.00 H new ATOM 1589 N TYR A 99 1.698 5.739 -4.755 1.00 0.00 N ATOM 1590 CA TYR A 99 0.536 6.595 -4.601 1.00 0.00 C ATOM 1591 C TYR A 99 0.009 7.056 -5.962 1.00 0.00 C ATOM 1592 O TYR A 99 0.602 7.925 -6.597 1.00 0.00 O ATOM 1593 CB TYR A 99 1.011 7.816 -3.812 1.00 0.00 C ATOM 1594 CG TYR A 99 2.528 7.884 -3.624 1.00 0.00 C ATOM 1595 CD1 TYR A 99 3.317 8.475 -4.589 1.00 0.00 C ATOM 1596 CD2 TYR A 99 3.107 7.353 -2.489 1.00 0.00 C ATOM 1597 CE1 TYR A 99 4.745 8.538 -4.414 1.00 0.00 C ATOM 1598 CE2 TYR A 99 4.535 7.417 -2.312 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.284 8.006 -3.284 1.00 0.00 C ATOM 1600 OH TYR A 99 6.632 8.065 -3.117 1.00 0.00 O ATOM 0 H TYR A 99 2.594 6.217 -4.663 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.269 6.060 -4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.678 8.719 -4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.534 7.811 -2.832 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.863 8.891 -5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.489 6.890 -1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.374 8.997 -5.163 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.001 7.007 -1.428 1.00 0.00 H new ATOM 0 HH TYR A 99 6.875 7.647 -2.264 1.00 0.00 H new ATOM 1610 N ASP A 100 -1.097 6.450 -6.368 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.710 6.787 -7.643 1.00 0.00 C ATOM 1612 C ASP A 100 -3.009 7.556 -7.391 1.00 0.00 C ATOM 1613 O ASP A 100 -4.082 6.961 -7.318 1.00 0.00 O ATOM 1614 CB ASP A 100 -2.053 5.527 -8.437 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.839 5.637 -9.949 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -2.560 5.016 -10.744 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -0.873 6.414 -10.307 1.00 0.00 O ATOM 0 H ASP A 100 -1.585 5.728 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.001 7.389 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.449 4.702 -8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.096 5.271 -8.250 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.868 8.867 -7.267 1.00 0.00 N ATOM 1624 CA ASN A 101 -4.015 9.724 -7.026 1.00 0.00 C ATOM 1625 C ASN A 101 -4.529 10.269 -8.360 1.00 0.00 C ATOM 1626 O ASN A 101 -4.034 9.890 -9.422 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.638 10.916 -6.143 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.647 10.500 -5.055 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -2.775 9.463 -4.425 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -1.653 11.364 -4.870 1.00 0.00 N ATOM 0 H ASN A 101 -1.976 9.357 -7.329 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.778 9.130 -6.523 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.201 11.704 -6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.535 11.331 -5.683 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.939 11.177 -4.166 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.605 12.214 -5.432 1.00 0.00 H new ATOM 1637 N SER A 102 -5.515 11.149 -8.263 1.00 0.00 N ATOM 1638 CA SER A 102 -6.101 11.749 -9.451 1.00 0.00 C ATOM 1639 C SER A 102 -5.252 12.936 -9.909 1.00 0.00 C ATOM 1640 O SER A 102 -5.671 13.705 -10.774 1.00 0.00 O ATOM 1641 CB SER A 102 -7.541 12.195 -9.187 1.00 0.00 C ATOM 1642 OG SER A 102 -7.906 12.044 -7.819 1.00 0.00 O ATOM 0 H SER A 102 -5.923 11.461 -7.382 1.00 0.00 H new ATOM 0 HA SER A 102 -6.121 10.999 -10.241 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.656 13.239 -9.479 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.220 11.613 -9.809 1.00 0.00 H new ATOM 0 HG SER A 102 -8.831 12.341 -7.693 1.00 0.00 H new ATOM 1648 N LEU A 103 -4.076 13.051 -9.308 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.166 14.132 -9.644 1.00 0.00 C ATOM 1650 C LEU A 103 -2.196 13.657 -10.729 1.00 0.00 C ATOM 1651 O LEU A 103 -1.301 14.397 -11.133 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.473 14.659 -8.388 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.603 15.904 -8.572 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.322 17.155 -8.065 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.236 15.722 -7.912 1.00 0.00 C ATOM 0 H LEU A 103 -3.733 12.413 -8.590 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.716 14.979 -10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.236 14.881 -7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.851 13.863 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.428 16.043 -9.639 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.682 18.026 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.250 17.292 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.548 17.040 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.361 16.622 -8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.368 15.544 -6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.275 14.870 -8.362 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.406 12.425 -11.167 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.562 11.843 -12.198 1.00 0.00 C ATOM 1669 C VAL A 104 -2.434 11.075 -13.193 1.00 0.00 C ATOM 1670 O VAL A 104 -1.919 10.361 -14.052 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.479 10.973 -11.555 1.00 0.00 C ATOM 1672 CG1 VAL A 104 -0.180 9.744 -12.417 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.793 11.783 -11.296 1.00 0.00 C ATOM 0 H VAL A 104 -3.148 11.813 -10.827 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.046 12.624 -12.756 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.856 10.625 -10.593 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.593 9.143 -11.938 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.086 9.149 -12.528 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.167 10.064 -13.399 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.546 11.141 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.174 12.174 -12.239 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.566 12.611 -10.625 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.739 11.247 -13.043 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.687 10.580 -13.918 1.00 0.00 C ATOM 1685 C GLU A 105 -6.001 11.362 -13.973 1.00 0.00 C ATOM 1686 O GLU A 105 -6.630 11.453 -15.026 1.00 0.00 O ATOM 1687 CB GLU A 105 -4.926 9.137 -13.470 1.00 0.00 C ATOM 1688 CG GLU A 105 -4.090 8.159 -14.298 1.00 0.00 C ATOM 1689 CD GLU A 105 -4.658 6.741 -14.208 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -5.493 6.462 -13.336 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -4.200 5.915 -15.087 1.00 0.00 O ATOM 0 H GLU A 105 -4.162 11.839 -12.328 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.264 10.548 -14.922 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.673 9.034 -12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.983 8.892 -13.570 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.071 8.482 -15.339 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.059 8.165 -13.943 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.376 11.905 -12.825 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.605 12.677 -12.728 1.00 0.00 C ATOM 1701 C GLY A 106 -8.780 11.787 -12.320 1.00 0.00 C ATOM 1702 O GLY A 106 -9.672 12.224 -11.593 1.00 0.00 O ATOM 0 H GLY A 106 -5.852 11.826 -11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.480 13.477 -11.998 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.818 13.150 -13.687 1.00 0.00 H new ATOM 1706 N MET A 107 -8.746 10.555 -12.807 1.00 0.00 N ATOM 1707 CA MET A 107 -9.797 9.599 -12.503 1.00 0.00 C ATOM 1708 C MET A 107 -9.465 8.803 -11.238 1.00 0.00 C ATOM 1709 O MET A 107 -10.135 7.820 -10.925 1.00 0.00 O ATOM 1710 CB MET A 107 -9.970 8.639 -13.680 1.00 0.00 C ATOM 1711 CG MET A 107 -8.851 7.597 -13.707 1.00 0.00 C ATOM 1712 SD MET A 107 -8.367 7.265 -15.393 1.00 0.00 S ATOM 1713 CE MET A 107 -7.152 8.551 -15.627 1.00 0.00 C ATOM 0 H MET A 107 -8.006 10.197 -13.411 1.00 0.00 H new ATOM 0 HA MET A 107 -10.723 10.148 -12.332 1.00 0.00 H new ATOM 0 HB2 MET A 107 -10.936 8.139 -13.607 1.00 0.00 H new ATOM 0 HB3 MET A 107 -9.972 9.200 -14.614 1.00 0.00 H new ATOM 0 HG2 MET A 107 -7.994 7.957 -13.138 1.00 0.00 H new ATOM 0 HG3 MET A 107 -9.188 6.677 -13.229 1.00 0.00 H new ATOM 0 HE1 MET A 107 -7.519 9.270 -16.360 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.972 9.059 -14.679 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.221 8.111 -15.985 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.432 9.260 -10.545 1.00 0.00 N ATOM 1724 CA ARG A 108 -8.003 8.602 -9.321 1.00 0.00 C ATOM 1725 C ARG A 108 -8.203 9.531 -8.122 1.00 0.00 C ATOM 1726 O ARG A 108 -9.126 9.340 -7.332 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.532 8.194 -9.402 1.00 0.00 C ATOM 1728 CG ARG A 108 -6.355 6.948 -10.273 1.00 0.00 C ATOM 1729 CD ARG A 108 -7.479 5.941 -10.023 1.00 0.00 C ATOM 1730 NE ARG A 108 -7.049 4.588 -10.443 1.00 0.00 N ATOM 1731 CZ ARG A 108 -7.869 3.517 -10.501 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -9.171 3.633 -10.166 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -7.377 2.355 -10.889 1.00 0.00 N ATOM 0 H ARG A 108 -7.880 10.077 -10.807 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.610 7.705 -9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.945 9.016 -9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.149 7.999 -8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.345 7.234 -11.325 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.392 6.484 -10.059 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.745 5.935 -8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.372 6.236 -10.575 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.072 4.457 -10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.542 4.535 -9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.784 2.819 -10.212 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.391 2.277 -11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.983 1.536 -10.938 1.00 0.00 H new