USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 669 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HE2:sc= -7.15! C(o=-7.1!,f=-7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.926 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 141:sc= -3.23 (180deg=-7.27!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00768) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -143:sc= 0.533 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -1.01 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 163:sc= 1.24 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 16:sc= -1.55 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N GLY A 9 13.747 16.958 -3.076 1.00 0.00 N ATOM 86 CA GLY A 9 12.620 16.928 -3.990 1.00 0.00 C ATOM 87 C GLY A 9 11.301 17.198 -3.294 1.00 0.00 C ATOM 88 O GLY A 9 11.275 17.565 -2.119 1.00 0.00 O ATOM 0 HA2 GLY A 9 12.772 17.670 -4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.577 15.954 -4.477 1.00 0.00 H new ATOM 92 N ASP A 10 10.204 17.019 -4.021 1.00 0.00 N ATOM 93 CA ASP A 10 8.874 17.246 -3.466 1.00 0.00 C ATOM 94 C ASP A 10 7.976 16.034 -3.692 1.00 0.00 C ATOM 95 O ASP A 10 7.444 15.839 -4.784 1.00 0.00 O ATOM 96 CB ASP A 10 8.242 18.489 -4.095 1.00 0.00 C ATOM 97 CG ASP A 10 9.181 19.679 -4.095 1.00 0.00 C ATOM 98 OD1 ASP A 10 10.148 19.671 -3.305 1.00 0.00 O ATOM 99 OD2 ASP A 10 8.948 20.619 -4.884 1.00 0.00 O ATOM 0 H ASP A 10 10.209 16.718 -4.995 1.00 0.00 H new ATOM 0 HA ASP A 10 8.977 17.403 -2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.946 18.264 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.334 18.747 -3.550 1.00 0.00 H new ATOM 104 N ALA A 11 7.814 15.222 -2.652 1.00 0.00 N ATOM 105 CA ALA A 11 6.980 14.030 -2.737 1.00 0.00 C ATOM 106 C ALA A 11 5.564 14.381 -3.181 1.00 0.00 C ATOM 107 O ALA A 11 4.939 13.638 -3.938 1.00 0.00 O ATOM 108 CB ALA A 11 6.952 13.309 -1.397 1.00 0.00 C ATOM 0 H ALA A 11 8.249 15.368 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 11 7.413 13.366 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.325 12.421 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.965 13.016 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.546 13.974 -0.635 1.00 0.00 H new ATOM 114 N ARG A 12 5.063 15.516 -2.705 1.00 0.00 N ATOM 115 CA ARG A 12 3.720 15.964 -3.052 1.00 0.00 C ATOM 116 C ARG A 12 3.561 16.086 -4.565 1.00 0.00 C ATOM 117 O ARG A 12 2.450 16.019 -5.089 1.00 0.00 O ATOM 118 CB ARG A 12 3.420 17.308 -2.387 1.00 0.00 C ATOM 119 CG ARG A 12 3.401 17.245 -0.868 1.00 0.00 C ATOM 120 CD ARG A 12 3.504 18.632 -0.252 1.00 0.00 C ATOM 121 NE ARG A 12 3.083 18.642 1.147 1.00 0.00 N ATOM 122 CZ ARG A 12 2.645 19.727 1.775 1.00 0.00 C ATOM 123 NH1 ARG A 12 2.569 20.884 1.131 1.00 0.00 N ATOM 124 NH2 ARG A 12 2.280 19.657 3.048 1.00 0.00 N ATOM 0 H ARG A 12 5.567 16.142 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 12 3.011 15.220 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.168 18.035 -2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.454 17.671 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.481 16.765 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.228 16.628 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.533 18.985 -0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.888 19.328 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 12 3.128 17.768 1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.847 20.942 0.151 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.232 21.716 1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.335 18.769 3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.944 20.491 3.529 1.00 0.00 H new ATOM 138 N ARG A 13 4.680 16.267 -5.259 1.00 0.00 N ATOM 139 CA ARG A 13 4.665 16.400 -6.711 1.00 0.00 C ATOM 140 C ARG A 13 4.821 15.039 -7.383 1.00 0.00 C ATOM 141 O ARG A 13 4.291 14.809 -8.470 1.00 0.00 O ATOM 142 CB ARG A 13 5.782 17.339 -7.169 1.00 0.00 C ATOM 143 CG ARG A 13 5.638 18.759 -6.646 1.00 0.00 C ATOM 144 CD ARG A 13 4.768 19.605 -7.563 1.00 0.00 C ATOM 145 NE ARG A 13 4.684 20.991 -7.111 1.00 0.00 N ATOM 146 CZ ARG A 13 4.295 21.995 -7.889 1.00 0.00 C ATOM 147 NH1 ARG A 13 3.955 21.767 -9.151 1.00 0.00 N ATOM 148 NH2 ARG A 13 4.244 23.229 -7.406 1.00 0.00 N ATOM 0 H ARG A 13 5.608 16.325 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 13 3.703 16.821 -7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.741 16.936 -6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.801 17.363 -8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.202 18.738 -5.647 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.623 19.216 -6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.173 19.577 -8.574 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.767 19.177 -7.609 1.00 0.00 H new ATOM 0 HE ARG A 13 4.938 21.200 -6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.992 20.819 -9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.657 22.540 -9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.504 23.408 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.945 23.999 -8.005 1.00 0.00 H new ATOM 162 N ALA A 14 5.552 14.142 -6.730 1.00 0.00 N ATOM 163 CA ALA A 14 5.777 12.805 -7.264 1.00 0.00 C ATOM 164 C ALA A 14 4.458 12.126 -7.618 1.00 0.00 C ATOM 165 O ALA A 14 3.499 12.169 -6.847 1.00 0.00 O ATOM 166 CB ALA A 14 6.555 11.961 -6.265 1.00 0.00 C ATOM 0 H ALA A 14 5.999 14.317 -5.830 1.00 0.00 H new ATOM 0 HA ALA A 14 6.364 12.900 -8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.716 10.965 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.518 12.430 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.989 11.882 -5.337 1.00 0.00 H new ATOM 172 N LYS A 15 4.415 11.501 -8.790 1.00 0.00 N ATOM 173 CA LYS A 15 3.214 10.813 -9.247 1.00 0.00 C ATOM 174 C LYS A 15 3.474 9.319 -9.416 1.00 0.00 C ATOM 175 O LYS A 15 4.595 8.903 -9.709 1.00 0.00 O ATOM 176 CB LYS A 15 2.732 11.410 -10.571 1.00 0.00 C ATOM 177 CG LYS A 15 1.872 12.651 -10.401 1.00 0.00 C ATOM 178 CD LYS A 15 1.924 13.538 -11.633 1.00 0.00 C ATOM 179 CE LYS A 15 0.635 14.326 -11.808 1.00 0.00 C ATOM 180 NZ LYS A 15 0.594 15.527 -10.928 1.00 0.00 N ATOM 0 H LYS A 15 5.199 11.457 -9.441 1.00 0.00 H new ATOM 0 HA LYS A 15 2.439 10.946 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.598 11.659 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.163 10.656 -11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.841 12.356 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.212 13.214 -9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.765 14.227 -11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.100 12.925 -12.517 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.537 14.635 -12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.217 13.683 -11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.300 16.036 -11.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.662 15.231 -9.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.392 16.153 -11.158 1.00 0.00 H new ATOM 194 N VAL A 16 2.430 8.517 -9.230 1.00 0.00 N ATOM 195 CA VAL A 16 2.545 7.070 -9.364 1.00 0.00 C ATOM 196 C VAL A 16 1.344 6.489 -10.102 1.00 0.00 C ATOM 197 O VAL A 16 0.196 6.759 -9.749 1.00 0.00 O ATOM 198 CB VAL A 16 2.669 6.387 -7.989 1.00 0.00 C ATOM 199 CG1 VAL A 16 4.069 6.573 -7.424 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.621 6.929 -7.029 1.00 0.00 C ATOM 0 H VAL A 16 1.496 8.845 -8.986 1.00 0.00 H new ATOM 0 HA VAL A 16 3.450 6.876 -9.940 1.00 0.00 H new ATOM 0 HB VAL A 16 2.494 5.319 -8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.137 6.084 -6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.797 6.132 -8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.277 7.637 -7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.723 6.436 -6.062 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.762 8.003 -6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.626 6.738 -7.431 1.00 0.00 H new ATOM 210 N TYR A 17 1.617 5.690 -11.128 1.00 0.00 N ATOM 211 CA TYR A 17 0.558 5.072 -11.917 1.00 0.00 C ATOM 212 C TYR A 17 0.943 3.655 -12.329 1.00 0.00 C ATOM 213 O TYR A 17 2.093 3.387 -12.676 1.00 0.00 O ATOM 214 CB TYR A 17 0.263 5.914 -13.160 1.00 0.00 C ATOM 215 CG TYR A 17 1.497 6.522 -13.787 1.00 0.00 C ATOM 216 CD1 TYR A 17 2.253 5.811 -14.711 1.00 0.00 C ATOM 217 CD2 TYR A 17 1.906 7.808 -13.456 1.00 0.00 C ATOM 218 CE1 TYR A 17 3.382 6.363 -15.286 1.00 0.00 C ATOM 219 CE2 TYR A 17 3.033 8.368 -14.027 1.00 0.00 C ATOM 220 CZ TYR A 17 3.767 7.641 -14.941 1.00 0.00 C ATOM 221 OH TYR A 17 4.890 8.195 -15.512 1.00 0.00 O ATOM 0 H TYR A 17 2.562 5.455 -11.432 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.339 5.021 -11.299 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.240 5.291 -13.899 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.429 6.712 -12.892 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.953 4.810 -14.984 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.334 8.380 -12.740 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.959 5.796 -16.002 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.337 9.369 -13.759 1.00 0.00 H new ATOM 0 HH TYR A 17 5.022 9.101 -15.162 1.00 0.00 H new ATOM 231 N GLY A 18 -0.029 2.749 -12.288 1.00 0.00 N ATOM 232 CA GLY A 18 0.225 1.369 -12.660 1.00 0.00 C ATOM 233 C GLY A 18 -0.851 0.426 -12.160 1.00 0.00 C ATOM 234 O GLY A 18 -1.864 0.863 -11.615 1.00 0.00 O ATOM 0 H GLY A 18 -0.989 2.946 -12.004 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.293 1.295 -13.745 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.190 1.060 -12.259 1.00 0.00 H new ATOM 238 N ARG A 19 -0.631 -0.871 -12.347 1.00 0.00 N ATOM 239 CA ARG A 19 -1.592 -1.879 -11.913 1.00 0.00 C ATOM 240 C ARG A 19 -1.188 -2.470 -10.566 1.00 0.00 C ATOM 241 O ARG A 19 -2.040 -2.853 -9.764 1.00 0.00 O ATOM 242 CB ARG A 19 -1.703 -2.991 -12.958 1.00 0.00 C ATOM 243 CG ARG A 19 -2.957 -3.838 -12.815 1.00 0.00 C ATOM 244 CD ARG A 19 -2.730 -5.258 -13.309 1.00 0.00 C ATOM 245 NE ARG A 19 -2.934 -5.375 -14.750 1.00 0.00 N ATOM 246 CZ ARG A 19 -4.132 -5.449 -15.319 1.00 0.00 C ATOM 247 NH1 ARG A 19 -5.227 -5.417 -14.573 1.00 0.00 N ATOM 248 NH2 ARG A 19 -4.236 -5.554 -16.638 1.00 0.00 N ATOM 0 H ARG A 19 0.203 -1.249 -12.796 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.563 -1.396 -11.802 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.687 -2.546 -13.953 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.828 -3.637 -12.883 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.265 -3.860 -11.770 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.772 -3.382 -13.378 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.716 -5.571 -13.060 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.409 -5.935 -12.791 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.112 -5.401 -15.353 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.151 -5.335 -13.559 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.146 -5.474 -15.013 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.396 -5.578 -17.216 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.156 -5.611 -17.074 1.00 0.00 H new ATOM 262 N GLY A 20 0.117 -2.543 -10.324 1.00 0.00 N ATOM 263 CA GLY A 20 0.611 -3.089 -9.073 1.00 0.00 C ATOM 264 C GLY A 20 0.598 -2.071 -7.951 1.00 0.00 C ATOM 265 O GLY A 20 1.412 -2.143 -7.028 1.00 0.00 O ATOM 0 H GLY A 20 0.841 -2.234 -10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.001 -3.946 -8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.628 -3.454 -9.216 1.00 0.00 H new ATOM 269 N LEU A 21 -0.325 -1.119 -8.028 1.00 0.00 N ATOM 270 CA LEU A 21 -0.440 -0.080 -7.010 1.00 0.00 C ATOM 271 C LEU A 21 -1.806 -0.129 -6.333 1.00 0.00 C ATOM 272 O LEU A 21 -1.921 0.095 -5.128 1.00 0.00 O ATOM 273 CB LEU A 21 -0.216 1.299 -7.634 1.00 0.00 C ATOM 274 CG LEU A 21 1.177 1.557 -8.209 1.00 0.00 C ATOM 275 CD1 LEU A 21 1.207 2.878 -8.962 1.00 0.00 C ATOM 276 CD2 LEU A 21 2.221 1.549 -7.102 1.00 0.00 C ATOM 0 H LEU A 21 -1.005 -1.045 -8.785 1.00 0.00 H new ATOM 0 HA LEU A 21 0.325 -0.259 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.947 1.439 -8.430 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.421 2.056 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 21 1.414 0.757 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.206 3.045 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.487 2.847 -9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.949 3.690 -8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.206 1.734 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.988 2.328 -6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.218 0.579 -6.606 1.00 0.00 H new ATOM 288 N SER A 22 -2.838 -0.426 -7.115 1.00 0.00 N ATOM 289 CA SER A 22 -4.197 -0.503 -6.592 1.00 0.00 C ATOM 290 C SER A 22 -4.680 -1.950 -6.545 1.00 0.00 C ATOM 291 O SER A 22 -4.991 -2.476 -5.477 1.00 0.00 O ATOM 292 CB SER A 22 -5.145 0.335 -7.451 1.00 0.00 C ATOM 293 OG SER A 22 -5.116 1.698 -7.061 1.00 0.00 O ATOM 0 H SER A 22 -2.759 -0.617 -8.114 1.00 0.00 H new ATOM 0 HA SER A 22 -4.192 -0.107 -5.577 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.863 0.248 -8.500 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.160 -0.051 -7.360 1.00 0.00 H new ATOM 0 HG SER A 22 -5.729 2.213 -7.626 1.00 0.00 H new ATOM 299 N GLU A 23 -4.738 -2.586 -7.710 1.00 0.00 N ATOM 300 CA GLU A 23 -5.184 -3.971 -7.802 1.00 0.00 C ATOM 301 C GLU A 23 -4.009 -4.903 -8.085 1.00 0.00 C ATOM 302 O GLU A 23 -2.862 -4.465 -8.170 1.00 0.00 O ATOM 303 CB GLU A 23 -6.241 -4.118 -8.899 1.00 0.00 C ATOM 304 CG GLU A 23 -7.261 -2.992 -8.917 1.00 0.00 C ATOM 305 CD GLU A 23 -8.452 -3.271 -8.021 1.00 0.00 C ATOM 306 OE1 GLU A 23 -8.250 -3.451 -6.802 1.00 0.00 O ATOM 307 OE2 GLU A 23 -9.588 -3.308 -8.540 1.00 0.00 O ATOM 0 H GLU A 23 -4.482 -2.165 -8.603 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.624 -4.249 -6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.743 -4.161 -9.868 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.762 -5.066 -8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.781 -2.066 -8.599 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.608 -2.837 -9.939 1.00 0.00 H new ATOM 314 N GLY A 24 -4.304 -6.191 -8.228 1.00 0.00 N ATOM 315 CA GLY A 24 -3.262 -7.165 -8.499 1.00 0.00 C ATOM 316 C GLY A 24 -3.770 -8.592 -8.427 1.00 0.00 C ATOM 317 O GLY A 24 -4.934 -8.828 -8.104 1.00 0.00 O ATOM 0 H GLY A 24 -5.245 -6.578 -8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.845 -6.980 -9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.451 -7.034 -7.782 1.00 0.00 H new ATOM 321 N ARG A 25 -2.895 -9.545 -8.730 1.00 0.00 N ATOM 322 CA ARG A 25 -3.262 -10.956 -8.701 1.00 0.00 C ATOM 323 C ARG A 25 -2.073 -11.819 -8.291 1.00 0.00 C ATOM 324 O ARG A 25 -0.918 -11.450 -8.510 1.00 0.00 O ATOM 325 CB ARG A 25 -3.779 -11.399 -10.071 1.00 0.00 C ATOM 326 CG ARG A 25 -5.277 -11.215 -10.246 1.00 0.00 C ATOM 327 CD ARG A 25 -5.825 -12.114 -11.343 1.00 0.00 C ATOM 328 NE ARG A 25 -5.719 -11.496 -12.661 1.00 0.00 N ATOM 329 CZ ARG A 25 -5.860 -12.165 -13.800 1.00 0.00 C ATOM 330 NH1 ARG A 25 -6.112 -13.466 -13.782 1.00 0.00 N ATOM 331 NH2 ARG A 25 -5.749 -11.531 -14.961 1.00 0.00 N ATOM 0 H ARG A 25 -1.927 -9.366 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.054 -11.084 -7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.259 -10.835 -10.846 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.531 -12.450 -10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.784 -11.436 -9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.491 -10.174 -10.487 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.283 -13.060 -11.341 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.869 -12.345 -11.134 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.526 -10.496 -12.710 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.198 -13.956 -12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.220 -13.977 -14.658 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.555 -10.530 -14.979 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.857 -12.045 -15.835 1.00 0.00 H new ATOM 345 N THR A 26 -2.362 -12.971 -7.693 1.00 0.00 N ATOM 346 CA THR A 26 -1.317 -13.885 -7.250 1.00 0.00 C ATOM 347 C THR A 26 -0.555 -14.465 -8.436 1.00 0.00 C ATOM 348 O THR A 26 -1.116 -14.650 -9.516 1.00 0.00 O ATOM 349 CB THR A 26 -1.899 -15.040 -6.413 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.869 -15.761 -7.182 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.542 -14.515 -5.139 1.00 0.00 C ATOM 0 H THR A 26 -3.311 -13.293 -7.505 1.00 0.00 H new ATOM 0 HA THR A 26 -0.632 -13.306 -6.630 1.00 0.00 H new ATOM 0 HB THR A 26 -1.083 -15.709 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.233 -16.495 -6.644 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.946 -15.349 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.794 -13.992 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.348 -13.827 -5.395 1.00 0.00 H new ATOM 359 N PHE A 27 0.726 -14.752 -8.228 1.00 0.00 N ATOM 360 CA PHE A 27 1.565 -15.311 -9.281 1.00 0.00 C ATOM 361 C PHE A 27 1.491 -14.460 -10.546 1.00 0.00 C ATOM 362 O PHE A 27 1.519 -14.982 -11.660 1.00 0.00 O ATOM 363 CB PHE A 27 1.138 -16.747 -9.594 1.00 0.00 C ATOM 364 CG PHE A 27 1.613 -17.748 -8.579 1.00 0.00 C ATOM 365 CD1 PHE A 27 1.459 -17.505 -7.223 1.00 0.00 C ATOM 366 CD2 PHE A 27 2.212 -18.930 -8.981 1.00 0.00 C ATOM 367 CE1 PHE A 27 1.894 -18.424 -6.287 1.00 0.00 C ATOM 368 CE2 PHE A 27 2.649 -19.853 -8.049 1.00 0.00 C ATOM 369 CZ PHE A 27 2.491 -19.599 -6.700 1.00 0.00 C ATOM 0 H PHE A 27 1.205 -14.607 -7.340 1.00 0.00 H new ATOM 0 HA PHE A 27 2.596 -15.314 -8.926 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.050 -16.790 -9.653 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.522 -17.026 -10.575 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.994 -16.587 -6.894 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.339 -19.133 -10.034 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.767 -18.224 -5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.114 -20.772 -8.375 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.834 -20.318 -5.970 1.00 0.00 H new ATOM 379 N GLU A 28 1.396 -13.147 -10.363 1.00 0.00 N ATOM 380 CA GLU A 28 1.316 -12.223 -11.489 1.00 0.00 C ATOM 381 C GLU A 28 2.215 -11.011 -11.263 1.00 0.00 C ATOM 382 O GLU A 28 1.998 -10.228 -10.339 1.00 0.00 O ATOM 383 CB GLU A 28 -0.129 -11.768 -11.702 1.00 0.00 C ATOM 384 CG GLU A 28 -0.260 -10.574 -12.632 1.00 0.00 C ATOM 385 CD GLU A 28 -1.606 -10.521 -13.328 1.00 0.00 C ATOM 386 OE1 GLU A 28 -1.729 -11.103 -14.426 1.00 0.00 O ATOM 387 OE2 GLU A 28 -2.536 -9.898 -12.775 1.00 0.00 O ATOM 0 H GLU A 28 1.373 -12.699 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 28 1.659 -12.747 -12.381 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.707 -12.599 -12.107 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.568 -11.516 -10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.114 -9.657 -12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.531 -10.613 -13.381 1.00 0.00 H new ATOM 394 N MET A 29 3.225 -10.864 -12.114 1.00 0.00 N ATOM 395 CA MET A 29 4.157 -9.748 -12.008 1.00 0.00 C ATOM 396 C MET A 29 3.441 -8.419 -12.229 1.00 0.00 C ATOM 397 O MET A 29 3.081 -8.076 -13.355 1.00 0.00 O ATOM 398 CB MET A 29 5.291 -9.904 -13.023 1.00 0.00 C ATOM 399 CG MET A 29 6.599 -9.273 -12.575 1.00 0.00 C ATOM 400 SD MET A 29 7.616 -10.401 -11.603 1.00 0.00 S ATOM 401 CE MET A 29 8.252 -9.290 -10.350 1.00 0.00 C ATOM 0 H MET A 29 3.419 -11.504 -12.884 1.00 0.00 H new ATOM 0 HA MET A 29 4.576 -9.752 -11.002 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.455 -10.965 -13.212 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.986 -9.455 -13.968 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.160 -8.947 -13.451 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.385 -8.382 -11.984 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.277 -9.802 -9.388 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.260 -8.976 -10.620 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.606 -8.415 -10.278 1.00 0.00 H new ATOM 411 N SER A 30 3.236 -7.675 -11.146 1.00 0.00 N ATOM 412 CA SER A 30 2.559 -6.386 -11.221 1.00 0.00 C ATOM 413 C SER A 30 3.536 -5.243 -10.963 1.00 0.00 C ATOM 414 O SER A 30 3.941 -5.003 -9.825 1.00 0.00 O ATOM 415 CB SER A 30 1.411 -6.329 -10.211 1.00 0.00 C ATOM 416 OG SER A 30 0.373 -7.225 -10.567 1.00 0.00 O ATOM 0 H SER A 30 3.529 -7.943 -10.207 1.00 0.00 H new ATOM 0 HA SER A 30 2.154 -6.274 -12.227 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.784 -6.577 -9.217 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.018 -5.314 -10.160 1.00 0.00 H new ATOM 0 HG SER A 30 -0.347 -7.171 -9.905 1.00 0.00 H new ATOM 422 N ASP A 31 3.910 -4.542 -12.027 1.00 0.00 N ATOM 423 CA ASP A 31 4.839 -3.423 -11.917 1.00 0.00 C ATOM 424 C ASP A 31 4.121 -2.096 -12.140 1.00 0.00 C ATOM 425 O ASP A 31 3.032 -2.056 -12.713 1.00 0.00 O ATOM 426 CB ASP A 31 5.978 -3.576 -12.927 1.00 0.00 C ATOM 427 CG ASP A 31 5.524 -4.235 -14.215 1.00 0.00 C ATOM 428 OD1 ASP A 31 4.819 -3.573 -15.005 1.00 0.00 O ATOM 429 OD2 ASP A 31 5.875 -5.414 -14.433 1.00 0.00 O ATOM 0 H ASP A 31 3.584 -4.728 -12.976 1.00 0.00 H new ATOM 0 HA ASP A 31 5.254 -3.426 -10.909 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.395 -2.594 -13.152 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.778 -4.168 -12.482 1.00 0.00 H new ATOM 434 N PHE A 32 4.736 -1.011 -11.681 1.00 0.00 N ATOM 435 CA PHE A 32 4.154 0.318 -11.828 1.00 0.00 C ATOM 436 C PHE A 32 5.241 1.366 -12.049 1.00 0.00 C ATOM 437 O PHE A 32 6.402 1.156 -11.694 1.00 0.00 O ATOM 438 CB PHE A 32 3.328 0.676 -10.591 1.00 0.00 C ATOM 439 CG PHE A 32 4.114 0.630 -9.312 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.806 1.745 -8.868 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.160 -0.529 -8.553 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.530 1.705 -7.691 1.00 0.00 C ATOM 443 CE2 PHE A 32 4.882 -0.575 -7.375 1.00 0.00 C ATOM 444 CZ PHE A 32 5.567 0.544 -6.943 1.00 0.00 C ATOM 0 H PHE A 32 5.637 -1.026 -11.204 1.00 0.00 H new ATOM 0 HA PHE A 32 3.501 0.307 -12.701 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.913 1.676 -10.718 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.485 -0.011 -10.515 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.780 2.656 -9.448 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.625 -1.406 -8.886 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.066 2.581 -7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.910 -1.485 -6.793 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.130 0.511 -6.022 1.00 0.00 H new ATOM 454 N ILE A 33 4.856 2.494 -12.636 1.00 0.00 N ATOM 455 CA ILE A 33 5.797 3.575 -12.903 1.00 0.00 C ATOM 456 C ILE A 33 5.845 4.562 -11.741 1.00 0.00 C ATOM 457 O ILE A 33 4.852 4.763 -11.042 1.00 0.00 O ATOM 458 CB ILE A 33 5.430 4.335 -14.192 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.902 3.555 -15.421 1.00 0.00 C ATOM 460 CG2 ILE A 33 6.039 5.729 -14.176 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.372 3.200 -15.384 1.00 0.00 C ATOM 0 H ILE A 33 3.900 2.683 -12.936 1.00 0.00 H new ATOM 0 HA ILE A 33 6.778 3.116 -13.028 1.00 0.00 H new ATOM 0 HB ILE A 33 4.346 4.434 -14.242 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.317 2.639 -15.506 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.702 4.146 -16.315 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.771 6.254 -15.093 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.659 6.282 -13.317 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.124 5.651 -14.106 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.636 2.648 -16.286 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.965 4.113 -15.330 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.575 2.583 -14.509 1.00 0.00 H new ATOM 473 N VAL A 34 7.006 5.177 -11.542 1.00 0.00 N ATOM 474 CA VAL A 34 7.184 6.145 -10.467 1.00 0.00 C ATOM 475 C VAL A 34 7.715 7.470 -11.003 1.00 0.00 C ATOM 476 O VAL A 34 8.917 7.628 -11.218 1.00 0.00 O ATOM 477 CB VAL A 34 8.149 5.616 -9.389 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.572 6.739 -8.454 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.507 4.478 -8.612 1.00 0.00 C ATOM 0 H VAL A 34 7.838 5.022 -12.112 1.00 0.00 H new ATOM 0 HA VAL A 34 6.203 6.304 -10.019 1.00 0.00 H new ATOM 0 HB VAL A 34 9.041 5.230 -9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.253 6.347 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.074 7.519 -9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.692 7.157 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.203 4.116 -7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.598 4.835 -8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.260 3.665 -9.295 1.00 0.00 H new ATOM 489 N ASP A 35 6.811 8.420 -11.216 1.00 0.00 N ATOM 490 CA ASP A 35 7.188 9.733 -11.726 1.00 0.00 C ATOM 491 C ASP A 35 7.775 10.599 -10.615 1.00 0.00 C ATOM 492 O ASP A 35 7.058 11.054 -9.723 1.00 0.00 O ATOM 493 CB ASP A 35 5.977 10.430 -12.347 1.00 0.00 C ATOM 494 CG ASP A 35 6.333 11.765 -12.971 1.00 0.00 C ATOM 495 OD1 ASP A 35 7.457 12.253 -12.727 1.00 0.00 O ATOM 496 OD2 ASP A 35 5.489 12.321 -13.703 1.00 0.00 O ATOM 0 H ASP A 35 5.812 8.305 -11.043 1.00 0.00 H new ATOM 0 HA ASP A 35 7.949 9.593 -12.494 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.539 9.783 -13.107 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.217 10.582 -11.581 1.00 0.00 H new ATOM 501 N THR A 36 9.084 10.823 -10.675 1.00 0.00 N ATOM 502 CA THR A 36 9.768 11.632 -9.674 1.00 0.00 C ATOM 503 C THR A 36 10.508 12.797 -10.321 1.00 0.00 C ATOM 504 O THR A 36 10.924 13.735 -9.641 1.00 0.00 O ATOM 505 CB THR A 36 10.769 10.791 -8.860 1.00 0.00 C ATOM 506 OG1 THR A 36 11.479 9.900 -9.728 1.00 0.00 O ATOM 507 CG2 THR A 36 10.053 9.993 -7.781 1.00 0.00 C ATOM 0 H THR A 36 9.692 10.455 -11.407 1.00 0.00 H new ATOM 0 HA THR A 36 9.001 12.020 -9.003 1.00 0.00 H new ATOM 0 HB THR A 36 11.475 11.469 -8.380 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.115 9.370 -9.204 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.780 9.407 -7.219 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.537 10.676 -7.106 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.328 9.324 -8.244 1.00 0.00 H new ATOM 515 N ARG A 37 10.669 12.732 -11.639 1.00 0.00 N ATOM 516 CA ARG A 37 11.360 13.782 -12.377 1.00 0.00 C ATOM 517 C ARG A 37 10.756 15.149 -12.071 1.00 0.00 C ATOM 518 O ARG A 37 11.475 16.103 -11.773 1.00 0.00 O ATOM 519 CB ARG A 37 11.292 13.507 -13.881 1.00 0.00 C ATOM 520 CG ARG A 37 9.884 13.582 -14.450 1.00 0.00 C ATOM 521 CD ARG A 37 9.784 12.860 -15.784 1.00 0.00 C ATOM 522 NE ARG A 37 8.397 12.639 -16.184 1.00 0.00 N ATOM 523 CZ ARG A 37 8.029 12.337 -17.425 1.00 0.00 C ATOM 524 NH1 ARG A 37 8.940 12.220 -18.380 1.00 0.00 N ATOM 525 NH2 ARG A 37 6.747 12.151 -17.711 1.00 0.00 N ATOM 0 H ARG A 37 10.330 11.963 -12.217 1.00 0.00 H new ATOM 0 HA ARG A 37 12.404 13.786 -12.062 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.924 14.226 -14.402 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.703 12.517 -14.080 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.181 13.142 -13.743 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.597 14.626 -14.577 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.294 13.443 -16.551 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.299 11.902 -15.717 1.00 0.00 H new ATOM 0 HE ARG A 37 7.671 12.721 -15.472 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.927 12.362 -18.164 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.655 11.988 -19.331 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.043 12.240 -16.978 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.465 11.919 -18.664 1.00 0.00 H new ATOM 539 N ASP A 38 9.433 15.236 -12.147 1.00 0.00 N ATOM 540 CA ASP A 38 8.732 16.486 -11.878 1.00 0.00 C ATOM 541 C ASP A 38 8.774 16.823 -10.391 1.00 0.00 C ATOM 542 O ASP A 38 8.480 17.949 -9.991 1.00 0.00 O ATOM 543 CB ASP A 38 7.281 16.395 -12.352 1.00 0.00 C ATOM 544 CG ASP A 38 6.610 17.752 -12.427 1.00 0.00 C ATOM 545 OD1 ASP A 38 7.281 18.724 -12.833 1.00 0.00 O ATOM 546 OD2 ASP A 38 5.414 17.843 -12.080 1.00 0.00 O ATOM 0 H ASP A 38 8.824 14.456 -12.393 1.00 0.00 H new ATOM 0 HA ASP A 38 9.236 17.281 -12.427 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.252 15.924 -13.334 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.720 15.753 -11.673 1.00 0.00 H new ATOM 551 N ALA A 39 9.140 15.839 -9.576 1.00 0.00 N ATOM 552 CA ALA A 39 9.221 16.031 -8.134 1.00 0.00 C ATOM 553 C ALA A 39 10.586 16.576 -7.728 1.00 0.00 C ATOM 554 O ALA A 39 10.693 17.391 -6.813 1.00 0.00 O ATOM 555 CB ALA A 39 8.936 14.723 -7.410 1.00 0.00 C ATOM 0 H ALA A 39 9.385 14.900 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 39 8.467 16.764 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.000 14.882 -6.333 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.935 14.376 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.668 13.974 -7.711 1.00 0.00 H new ATOM 561 N GLY A 40 11.629 16.118 -8.415 1.00 0.00 N ATOM 562 CA GLY A 40 12.974 16.570 -8.110 1.00 0.00 C ATOM 563 C GLY A 40 13.922 15.421 -7.828 1.00 0.00 C ATOM 564 O GLY A 40 14.317 14.694 -8.740 1.00 0.00 O ATOM 0 H GLY A 40 11.566 15.443 -9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.356 17.155 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.944 17.233 -7.245 1.00 0.00 H new ATOM 568 N TYR A 41 14.288 15.256 -6.562 1.00 0.00 N ATOM 569 CA TYR A 41 15.199 14.189 -6.163 1.00 0.00 C ATOM 570 C TYR A 41 14.938 13.761 -4.722 1.00 0.00 C ATOM 571 O TYR A 41 14.002 14.237 -4.081 1.00 0.00 O ATOM 572 CB TYR A 41 16.651 14.646 -6.316 1.00 0.00 C ATOM 573 CG TYR A 41 17.623 13.510 -6.537 1.00 0.00 C ATOM 574 CD1 TYR A 41 17.635 12.802 -7.733 1.00 0.00 C ATOM 575 CD2 TYR A 41 18.530 13.142 -5.550 1.00 0.00 C ATOM 576 CE1 TYR A 41 18.521 11.763 -7.939 1.00 0.00 C ATOM 577 CE2 TYR A 41 19.420 12.105 -5.748 1.00 0.00 C ATOM 578 CZ TYR A 41 19.412 11.418 -6.944 1.00 0.00 C ATOM 579 OH TYR A 41 20.296 10.384 -7.145 1.00 0.00 O ATOM 0 H TYR A 41 13.968 15.847 -5.795 1.00 0.00 H new ATOM 0 HA TYR A 41 15.024 13.333 -6.815 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.718 15.339 -7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.946 15.197 -5.423 1.00 0.00 H new ATOM 0 HD1 TYR A 41 16.939 13.069 -8.515 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.539 13.677 -4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.516 11.223 -8.874 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.119 11.833 -4.971 1.00 0.00 H new ATOM 0 HH TYR A 41 20.854 10.271 -6.347 1.00 0.00 H new ATOM 589 N GLY A 42 15.774 12.857 -4.220 1.00 0.00 N ATOM 590 CA GLY A 42 15.618 12.378 -2.858 1.00 0.00 C ATOM 591 C GLY A 42 15.670 10.866 -2.766 1.00 0.00 C ATOM 592 O GLY A 42 15.305 10.167 -3.709 1.00 0.00 O ATOM 0 H GLY A 42 16.556 12.448 -4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.404 12.804 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.667 12.731 -2.459 1.00 0.00 H new ATOM 596 N GLY A 43 16.128 10.360 -1.625 1.00 0.00 N ATOM 597 CA GLY A 43 16.221 8.924 -1.434 1.00 0.00 C ATOM 598 C GLY A 43 14.861 8.257 -1.391 1.00 0.00 C ATOM 599 O GLY A 43 14.045 8.552 -0.517 1.00 0.00 O ATOM 0 H GLY A 43 16.436 10.919 -0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.810 8.490 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.753 8.718 -0.505 1.00 0.00 H new ATOM 603 N ILE A 44 14.615 7.356 -2.336 1.00 0.00 N ATOM 604 CA ILE A 44 13.344 6.645 -2.402 1.00 0.00 C ATOM 605 C ILE A 44 13.386 5.366 -1.573 1.00 0.00 C ATOM 606 O ILE A 44 14.291 4.546 -1.722 1.00 0.00 O ATOM 607 CB ILE A 44 12.972 6.290 -3.854 1.00 0.00 C ATOM 608 CG1 ILE A 44 12.803 7.563 -4.686 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.699 5.457 -3.886 1.00 0.00 C ATOM 610 CD1 ILE A 44 12.416 7.299 -6.124 1.00 0.00 C ATOM 0 H ILE A 44 15.279 7.101 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 44 12.586 7.315 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 44 13.780 5.700 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.042 8.191 -4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.736 8.126 -4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.449 5.214 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.853 4.536 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.882 6.023 -3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.314 8.246 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.188 6.697 -6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.467 6.763 -6.153 1.00 0.00 H new ATOM 622 N SER A 45 12.398 5.202 -0.698 1.00 0.00 N ATOM 623 CA SER A 45 12.322 4.023 0.157 1.00 0.00 C ATOM 624 C SER A 45 11.124 3.156 -0.218 1.00 0.00 C ATOM 625 O SER A 45 9.973 3.548 -0.019 1.00 0.00 O ATOM 626 CB SER A 45 12.226 4.439 1.626 1.00 0.00 C ATOM 627 OG SER A 45 13.454 4.978 2.085 1.00 0.00 O ATOM 0 H SER A 45 11.640 5.871 -0.563 1.00 0.00 H new ATOM 0 HA SER A 45 13.230 3.439 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.433 5.177 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.954 3.577 2.234 1.00 0.00 H new ATOM 0 HG SER A 45 13.366 5.238 3.026 1.00 0.00 H new ATOM 633 N LEU A 46 11.402 1.977 -0.761 1.00 0.00 N ATOM 634 CA LEU A 46 10.349 1.052 -1.165 1.00 0.00 C ATOM 635 C LEU A 46 10.351 -0.194 -0.285 1.00 0.00 C ATOM 636 O LEU A 46 11.388 -0.828 -0.092 1.00 0.00 O ATOM 637 CB LEU A 46 10.525 0.655 -2.632 1.00 0.00 C ATOM 638 CG LEU A 46 10.538 1.803 -3.641 1.00 0.00 C ATOM 639 CD1 LEU A 46 11.373 1.436 -4.857 1.00 0.00 C ATOM 640 CD2 LEU A 46 9.119 2.164 -4.056 1.00 0.00 C ATOM 0 H LEU A 46 12.349 1.638 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 46 9.391 1.557 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.460 0.103 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.721 -0.030 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 46 10.989 2.674 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.370 2.266 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.397 1.228 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.952 0.551 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.147 2.983 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.642 1.297 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.550 2.471 -3.178 1.00 0.00 H new ATOM 652 N ALA A 47 9.182 -0.540 0.245 1.00 0.00 N ATOM 653 CA ALA A 47 9.049 -1.712 1.101 1.00 0.00 C ATOM 654 C ALA A 47 7.608 -2.211 1.128 1.00 0.00 C ATOM 655 O ALA A 47 6.729 -1.568 1.703 1.00 0.00 O ATOM 656 CB ALA A 47 9.526 -1.394 2.510 1.00 0.00 C ATOM 0 H ALA A 47 8.314 -0.025 0.096 1.00 0.00 H new ATOM 0 HA ALA A 47 9.673 -2.505 0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.421 -2.279 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.573 -1.093 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.926 -0.583 2.923 1.00 0.00 H new ATOM 662 N VAL A 48 7.372 -3.360 0.503 1.00 0.00 N ATOM 663 CA VAL A 48 6.037 -3.944 0.456 1.00 0.00 C ATOM 664 C VAL A 48 5.801 -4.872 1.643 1.00 0.00 C ATOM 665 O VAL A 48 6.555 -5.819 1.862 1.00 0.00 O ATOM 666 CB VAL A 48 5.815 -4.732 -0.848 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.389 -5.258 -0.918 1.00 0.00 C ATOM 668 CG2 VAL A 48 6.130 -3.862 -2.056 1.00 0.00 C ATOM 0 H VAL A 48 8.088 -3.905 0.022 1.00 0.00 H new ATOM 0 HA VAL A 48 5.328 -3.117 0.498 1.00 0.00 H new ATOM 0 HB VAL A 48 6.493 -5.586 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.251 -5.812 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.202 -5.918 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.691 -4.422 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.968 -4.435 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.478 -2.988 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.170 -3.539 -2.010 1.00 0.00 H new ATOM 678 N GLU A 49 4.749 -4.592 2.406 1.00 0.00 N ATOM 679 CA GLU A 49 4.415 -5.401 3.572 1.00 0.00 C ATOM 680 C GLU A 49 3.072 -6.101 3.381 1.00 0.00 C ATOM 681 O GLU A 49 2.015 -5.480 3.487 1.00 0.00 O ATOM 682 CB GLU A 49 4.375 -4.531 4.830 1.00 0.00 C ATOM 683 CG GLU A 49 5.745 -4.061 5.289 1.00 0.00 C ATOM 684 CD GLU A 49 5.774 -3.696 6.760 1.00 0.00 C ATOM 685 OE1 GLU A 49 5.145 -2.684 7.134 1.00 0.00 O ATOM 686 OE2 GLU A 49 6.427 -4.424 7.538 1.00 0.00 O ATOM 0 H GLU A 49 4.114 -3.812 2.238 1.00 0.00 H new ATOM 0 HA GLU A 49 5.188 -6.160 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.747 -3.661 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.904 -5.094 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.477 -4.846 5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.045 -3.196 4.698 1.00 0.00 H new ATOM 693 N GLY A 50 3.123 -7.399 3.099 1.00 0.00 N ATOM 694 CA GLY A 50 1.905 -8.162 2.897 1.00 0.00 C ATOM 695 C GLY A 50 1.917 -9.481 3.643 1.00 0.00 C ATOM 696 O GLY A 50 2.720 -9.699 4.550 1.00 0.00 O ATOM 0 H GLY A 50 3.985 -7.936 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.051 -7.570 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.771 -8.352 1.832 1.00 0.00 H new ATOM 700 N PRO A 51 1.007 -10.390 3.262 1.00 0.00 N ATOM 701 CA PRO A 51 0.895 -11.710 3.889 1.00 0.00 C ATOM 702 C PRO A 51 2.079 -12.612 3.558 1.00 0.00 C ATOM 703 O PRO A 51 2.157 -13.748 4.026 1.00 0.00 O ATOM 704 CB PRO A 51 -0.394 -12.279 3.292 1.00 0.00 C ATOM 705 CG PRO A 51 -0.548 -11.578 1.986 1.00 0.00 C ATOM 706 CD PRO A 51 0.018 -10.199 2.187 1.00 0.00 C ATOM 0 HA PRO A 51 0.884 -11.644 4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.325 -13.358 3.156 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.248 -12.094 3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.017 -12.106 1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.596 -11.530 1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.482 -9.818 1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.754 -9.485 2.474 1.00 0.00 H new ATOM 714 N SER A 52 2.999 -12.099 2.747 1.00 0.00 N ATOM 715 CA SER A 52 4.178 -12.860 2.349 1.00 0.00 C ATOM 716 C SER A 52 5.205 -11.957 1.672 1.00 0.00 C ATOM 717 O SER A 52 4.852 -10.962 1.040 1.00 0.00 O ATOM 718 CB SER A 52 3.783 -13.998 1.407 1.00 0.00 C ATOM 719 OG SER A 52 4.763 -15.022 1.404 1.00 0.00 O ATOM 0 H SER A 52 2.951 -11.160 2.353 1.00 0.00 H new ATOM 0 HA SER A 52 4.628 -13.282 3.248 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.822 -14.411 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.655 -13.610 0.396 1.00 0.00 H new ATOM 0 HG SER A 52 4.486 -15.738 0.795 1.00 0.00 H new ATOM 725 N LYS A 53 6.477 -12.312 1.810 1.00 0.00 N ATOM 726 CA LYS A 53 7.558 -11.537 1.212 1.00 0.00 C ATOM 727 C LYS A 53 7.462 -11.555 -0.310 1.00 0.00 C ATOM 728 O LYS A 53 7.292 -12.612 -0.919 1.00 0.00 O ATOM 729 CB LYS A 53 8.915 -12.088 1.656 1.00 0.00 C ATOM 730 CG LYS A 53 10.060 -11.108 1.470 1.00 0.00 C ATOM 731 CD LYS A 53 11.241 -11.455 2.361 1.00 0.00 C ATOM 732 CE LYS A 53 12.028 -12.633 1.808 1.00 0.00 C ATOM 733 NZ LYS A 53 12.904 -12.232 0.673 1.00 0.00 N ATOM 0 H LYS A 53 6.786 -13.133 2.331 1.00 0.00 H new ATOM 0 HA LYS A 53 7.464 -10.506 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.857 -12.370 2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.130 -12.996 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.377 -11.111 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.717 -10.099 1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.896 -10.589 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.885 -11.692 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.637 -13.067 2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.337 -13.408 1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.461 -13.052 0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.317 -11.889 -0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.547 -11.475 0.981 1.00 0.00 H new ATOM 747 N VAL A 54 7.575 -10.380 -0.920 1.00 0.00 N ATOM 748 CA VAL A 54 7.504 -10.261 -2.371 1.00 0.00 C ATOM 749 C VAL A 54 8.712 -9.510 -2.921 1.00 0.00 C ATOM 750 O VAL A 54 8.931 -8.343 -2.595 1.00 0.00 O ATOM 751 CB VAL A 54 6.219 -9.538 -2.813 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.059 -10.518 -2.906 1.00 0.00 C ATOM 753 CG2 VAL A 54 5.892 -8.401 -1.856 1.00 0.00 C ATOM 0 H VAL A 54 7.716 -9.496 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 54 7.497 -11.275 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 54 6.384 -9.113 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.159 -9.988 -3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.296 -11.294 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.890 -10.975 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.981 -7.901 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.746 -8.801 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.715 -7.686 -1.846 1.00 0.00 H new ATOM 763 N ASP A 55 9.492 -10.186 -3.756 1.00 0.00 N ATOM 764 CA ASP A 55 10.678 -9.582 -4.354 1.00 0.00 C ATOM 765 C ASP A 55 10.334 -8.253 -5.018 1.00 0.00 C ATOM 766 O ASP A 55 9.214 -8.055 -5.490 1.00 0.00 O ATOM 767 CB ASP A 55 11.300 -10.533 -5.378 1.00 0.00 C ATOM 768 CG ASP A 55 11.998 -11.710 -4.725 1.00 0.00 C ATOM 769 OD1 ASP A 55 13.168 -11.555 -4.317 1.00 0.00 O ATOM 770 OD2 ASP A 55 11.374 -12.787 -4.622 1.00 0.00 O ATOM 0 H ASP A 55 9.325 -11.153 -4.035 1.00 0.00 H new ATOM 0 HA ASP A 55 11.400 -9.394 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.522 -10.901 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.015 -9.985 -5.991 1.00 0.00 H new ATOM 775 N ILE A 56 11.304 -7.345 -5.051 1.00 0.00 N ATOM 776 CA ILE A 56 11.104 -6.035 -5.657 1.00 0.00 C ATOM 777 C ILE A 56 12.284 -5.654 -6.544 1.00 0.00 C ATOM 778 O ILE A 56 13.409 -5.509 -6.068 1.00 0.00 O ATOM 779 CB ILE A 56 10.906 -4.944 -4.588 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.734 -5.303 -3.673 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.675 -3.593 -5.248 1.00 0.00 C ATOM 782 CD1 ILE A 56 9.529 -4.322 -2.540 1.00 0.00 C ATOM 0 H ILE A 56 12.236 -7.493 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 56 10.202 -6.103 -6.265 1.00 0.00 H new ATOM 0 HB ILE A 56 11.810 -4.881 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.822 -5.354 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.900 -6.297 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.537 -2.832 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.538 -3.336 -5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.785 -3.642 -5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.682 -4.640 -1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.426 -4.288 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.332 -3.331 -2.948 1.00 0.00 H new ATOM 794 N GLN A 57 12.018 -5.492 -7.836 1.00 0.00 N ATOM 795 CA GLN A 57 13.058 -5.126 -8.790 1.00 0.00 C ATOM 796 C GLN A 57 12.841 -3.712 -9.317 1.00 0.00 C ATOM 797 O GLN A 57 11.789 -3.401 -9.878 1.00 0.00 O ATOM 798 CB GLN A 57 13.085 -6.118 -9.954 1.00 0.00 C ATOM 799 CG GLN A 57 13.683 -7.468 -9.590 1.00 0.00 C ATOM 800 CD GLN A 57 13.543 -8.488 -10.702 1.00 0.00 C ATOM 801 OE1 GLN A 57 14.434 -8.638 -11.538 1.00 0.00 O ATOM 802 NE2 GLN A 57 12.419 -9.196 -10.718 1.00 0.00 N ATOM 0 H GLN A 57 11.091 -5.608 -8.246 1.00 0.00 H new ATOM 0 HA GLN A 57 14.017 -5.158 -8.272 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.068 -6.267 -10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.657 -5.686 -10.775 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.739 -7.341 -9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.195 -7.847 -8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.707 -9.039 -10.005 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.268 -9.897 -11.443 1.00 0.00 H new ATOM 811 N THR A 58 13.842 -2.856 -9.134 1.00 0.00 N ATOM 812 CA THR A 58 13.759 -1.474 -9.589 1.00 0.00 C ATOM 813 C THR A 58 14.751 -1.206 -10.715 1.00 0.00 C ATOM 814 O THR A 58 15.765 -1.894 -10.838 1.00 0.00 O ATOM 815 CB THR A 58 14.028 -0.486 -8.438 1.00 0.00 C ATOM 816 OG1 THR A 58 15.255 -0.822 -7.781 1.00 0.00 O ATOM 817 CG2 THR A 58 12.887 -0.504 -7.432 1.00 0.00 C ATOM 0 H THR A 58 14.720 -3.096 -8.674 1.00 0.00 H new ATOM 0 HA THR A 58 12.744 -1.323 -9.958 1.00 0.00 H new ATOM 0 HB THR A 58 14.104 0.516 -8.859 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.420 -0.188 -7.052 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.099 0.201 -6.629 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.959 -0.220 -7.929 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.784 -1.507 -7.017 1.00 0.00 H new ATOM 825 N GLU A 59 14.453 -0.203 -11.535 1.00 0.00 N ATOM 826 CA GLU A 59 15.320 0.154 -12.651 1.00 0.00 C ATOM 827 C GLU A 59 15.044 1.580 -13.119 1.00 0.00 C ATOM 828 O GLU A 59 13.906 2.049 -13.080 1.00 0.00 O ATOM 829 CB GLU A 59 15.122 -0.823 -13.812 1.00 0.00 C ATOM 830 CG GLU A 59 15.914 -0.457 -15.056 1.00 0.00 C ATOM 831 CD GLU A 59 17.333 -0.989 -15.022 1.00 0.00 C ATOM 832 OE1 GLU A 59 17.508 -2.221 -15.129 1.00 0.00 O ATOM 833 OE2 GLU A 59 18.270 -0.174 -14.888 1.00 0.00 O ATOM 0 H GLU A 59 13.618 0.376 -11.447 1.00 0.00 H new ATOM 0 HA GLU A 59 16.353 0.096 -12.309 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.411 -1.823 -13.488 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.063 -0.864 -14.065 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.404 -0.850 -15.935 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.939 0.628 -15.160 1.00 0.00 H new ATOM 840 N ASP A 60 16.093 2.265 -13.562 1.00 0.00 N ATOM 841 CA ASP A 60 15.965 3.637 -14.038 1.00 0.00 C ATOM 842 C ASP A 60 15.678 3.668 -15.536 1.00 0.00 C ATOM 843 O ASP A 60 16.475 3.185 -16.342 1.00 0.00 O ATOM 844 CB ASP A 60 17.239 4.426 -13.734 1.00 0.00 C ATOM 845 CG ASP A 60 17.327 5.713 -14.531 1.00 0.00 C ATOM 846 OD1 ASP A 60 16.282 6.372 -14.712 1.00 0.00 O ATOM 847 OD2 ASP A 60 18.442 6.061 -14.973 1.00 0.00 O ATOM 0 H ASP A 60 17.042 1.892 -13.601 1.00 0.00 H new ATOM 0 HA ASP A 60 15.127 4.100 -13.516 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.274 4.658 -12.670 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.108 3.806 -13.954 1.00 0.00 H new ATOM 852 N LEU A 61 14.534 4.236 -15.903 1.00 0.00 N ATOM 853 CA LEU A 61 14.141 4.329 -17.304 1.00 0.00 C ATOM 854 C LEU A 61 14.801 5.528 -17.977 1.00 0.00 C ATOM 855 O LEU A 61 15.548 6.273 -17.344 1.00 0.00 O ATOM 856 CB LEU A 61 12.620 4.437 -17.421 1.00 0.00 C ATOM 857 CG LEU A 61 11.829 3.170 -17.095 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.334 3.439 -17.166 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.215 2.042 -18.041 1.00 0.00 C ATOM 0 H LEU A 61 13.863 4.639 -15.249 1.00 0.00 H new ATOM 0 HA LEU A 61 14.475 3.423 -17.810 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.281 5.233 -16.759 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.375 4.742 -18.438 1.00 0.00 H new ATOM 0 HG LEU A 61 12.074 2.865 -16.078 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.788 2.525 -16.931 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.069 4.215 -16.447 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.071 3.770 -18.171 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.642 1.148 -17.794 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.000 2.339 -19.068 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.279 1.830 -17.940 1.00 0.00 H new ATOM 871 N GLU A 62 14.518 5.709 -19.263 1.00 0.00 N ATOM 872 CA GLU A 62 15.083 6.819 -20.021 1.00 0.00 C ATOM 873 C GLU A 62 14.390 8.131 -19.664 1.00 0.00 C ATOM 874 O GLU A 62 15.008 9.195 -19.672 1.00 0.00 O ATOM 875 CB GLU A 62 14.959 6.556 -21.523 1.00 0.00 C ATOM 876 CG GLU A 62 13.522 6.457 -22.007 1.00 0.00 C ATOM 877 CD GLU A 62 13.425 6.235 -23.504 1.00 0.00 C ATOM 878 OE1 GLU A 62 14.308 6.731 -24.235 1.00 0.00 O ATOM 879 OE2 GLU A 62 12.467 5.566 -23.944 1.00 0.00 O ATOM 0 H GLU A 62 13.901 5.101 -19.802 1.00 0.00 H new ATOM 0 HA GLU A 62 16.138 6.903 -19.760 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.462 7.356 -22.066 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.480 5.630 -21.765 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.024 5.638 -21.489 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.990 7.371 -21.744 1.00 0.00 H new ATOM 886 N ASP A 63 13.101 8.045 -19.351 1.00 0.00 N ATOM 887 CA ASP A 63 12.322 9.224 -18.990 1.00 0.00 C ATOM 888 C ASP A 63 12.792 9.799 -17.657 1.00 0.00 C ATOM 889 O ASP A 63 12.481 10.939 -17.317 1.00 0.00 O ATOM 890 CB ASP A 63 10.835 8.876 -18.914 1.00 0.00 C ATOM 891 CG ASP A 63 10.521 7.924 -17.776 1.00 0.00 C ATOM 892 OD1 ASP A 63 11.431 7.178 -17.357 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.365 7.926 -17.304 1.00 0.00 O ATOM 0 H ASP A 63 12.574 7.172 -19.340 1.00 0.00 H new ATOM 0 HA ASP A 63 12.471 9.978 -19.763 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.257 9.791 -18.788 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.521 8.427 -19.856 1.00 0.00 H new ATOM 898 N GLY A 64 13.542 8.999 -16.905 1.00 0.00 N ATOM 899 CA GLY A 64 14.041 9.445 -15.617 1.00 0.00 C ATOM 900 C GLY A 64 13.172 8.980 -14.466 1.00 0.00 C ATOM 901 O GLY A 64 13.223 9.543 -13.372 1.00 0.00 O ATOM 0 H GLY A 64 13.813 8.050 -17.165 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.056 9.073 -15.475 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.097 10.534 -15.610 1.00 0.00 H new ATOM 905 N THR A 65 12.368 7.950 -14.712 1.00 0.00 N ATOM 906 CA THR A 65 11.482 7.411 -13.688 1.00 0.00 C ATOM 907 C THR A 65 11.888 5.994 -13.299 1.00 0.00 C ATOM 908 O THR A 65 12.772 5.400 -13.918 1.00 0.00 O ATOM 909 CB THR A 65 10.016 7.400 -14.163 1.00 0.00 C ATOM 910 OG1 THR A 65 9.882 6.564 -15.317 1.00 0.00 O ATOM 911 CG2 THR A 65 9.544 8.808 -14.493 1.00 0.00 C ATOM 0 H THR A 65 12.312 7.473 -15.612 1.00 0.00 H new ATOM 0 HA THR A 65 11.571 8.063 -12.819 1.00 0.00 H new ATOM 0 HB THR A 65 9.398 7.006 -13.356 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.236 6.963 -15.937 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.507 8.775 -14.826 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.620 9.435 -13.605 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.166 9.224 -15.285 1.00 0.00 H new ATOM 919 N CYS A 66 11.238 5.459 -12.272 1.00 0.00 N ATOM 920 CA CYS A 66 11.533 4.110 -11.800 1.00 0.00 C ATOM 921 C CYS A 66 10.304 3.214 -11.914 1.00 0.00 C ATOM 922 O CYS A 66 9.192 3.620 -11.575 1.00 0.00 O ATOM 923 CB CYS A 66 12.018 4.150 -10.350 1.00 0.00 C ATOM 924 SG CYS A 66 13.786 4.481 -10.172 1.00 0.00 S ATOM 0 H CYS A 66 10.504 5.938 -11.750 1.00 0.00 H new ATOM 0 HA CYS A 66 12.322 3.695 -12.428 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.460 4.917 -9.813 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.788 3.196 -9.875 1.00 0.00 H new ATOM 0 HG CYS A 66 14.100 4.497 -8.910 1.00 0.00 H new ATOM 930 N LYS A 67 10.512 1.993 -12.394 1.00 0.00 N ATOM 931 CA LYS A 67 9.422 1.038 -12.554 1.00 0.00 C ATOM 932 C LYS A 67 9.578 -0.133 -11.588 1.00 0.00 C ATOM 933 O LYS A 67 10.402 -1.022 -11.802 1.00 0.00 O ATOM 934 CB LYS A 67 9.376 0.521 -13.994 1.00 0.00 C ATOM 935 CG LYS A 67 8.200 -0.399 -14.273 1.00 0.00 C ATOM 936 CD LYS A 67 8.141 -0.800 -15.737 1.00 0.00 C ATOM 937 CE LYS A 67 9.064 -1.972 -16.032 1.00 0.00 C ATOM 938 NZ LYS A 67 8.455 -3.271 -15.633 1.00 0.00 N ATOM 0 H LYS A 67 11.426 1.641 -12.679 1.00 0.00 H new ATOM 0 HA LYS A 67 8.487 1.551 -12.328 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.331 1.371 -14.675 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.302 -0.012 -14.210 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.280 -1.292 -13.653 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.272 0.100 -13.994 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.118 -1.066 -16.001 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.420 0.050 -16.360 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.297 -1.992 -17.097 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.006 -1.835 -15.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.115 -4.045 -15.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.256 -3.262 -14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.568 -3.414 -16.158 1.00 0.00 H new ATOM 952 N VAL A 68 8.780 -0.127 -10.525 1.00 0.00 N ATOM 953 CA VAL A 68 8.828 -1.190 -9.528 1.00 0.00 C ATOM 954 C VAL A 68 8.188 -2.468 -10.056 1.00 0.00 C ATOM 955 O VAL A 68 7.214 -2.423 -10.807 1.00 0.00 O ATOM 956 CB VAL A 68 8.116 -0.771 -8.227 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.122 -1.914 -7.224 1.00 0.00 C ATOM 958 CG2 VAL A 68 8.769 0.470 -7.638 1.00 0.00 C ATOM 0 H VAL A 68 8.093 0.602 -10.332 1.00 0.00 H new ATOM 0 HA VAL A 68 9.880 -1.376 -9.314 1.00 0.00 H new ATOM 0 HB VAL A 68 7.079 -0.531 -8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.615 -1.600 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.604 -2.774 -7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.151 -2.188 -6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.253 0.752 -6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.815 0.260 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.707 1.289 -8.355 1.00 0.00 H new ATOM 968 N SER A 69 8.742 -3.609 -9.657 1.00 0.00 N ATOM 969 CA SER A 69 8.227 -4.902 -10.093 1.00 0.00 C ATOM 970 C SER A 69 8.296 -5.924 -8.962 1.00 0.00 C ATOM 971 O SER A 69 9.340 -6.100 -8.333 1.00 0.00 O ATOM 972 CB SER A 69 9.018 -5.408 -11.302 1.00 0.00 C ATOM 973 OG SER A 69 8.985 -4.468 -12.362 1.00 0.00 O ATOM 0 H SER A 69 9.547 -3.664 -9.033 1.00 0.00 H new ATOM 0 HA SER A 69 7.183 -4.772 -10.379 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.051 -5.597 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.603 -6.357 -11.641 1.00 0.00 H new ATOM 0 HG SER A 69 9.498 -4.814 -13.122 1.00 0.00 H new ATOM 979 N TYR A 70 7.178 -6.594 -8.710 1.00 0.00 N ATOM 980 CA TYR A 70 7.109 -7.596 -7.654 1.00 0.00 C ATOM 981 C TYR A 70 6.259 -8.787 -8.087 1.00 0.00 C ATOM 982 O TYR A 70 5.441 -8.681 -9.001 1.00 0.00 O ATOM 983 CB TYR A 70 6.534 -6.983 -6.376 1.00 0.00 C ATOM 984 CG TYR A 70 5.049 -6.705 -6.454 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.121 -7.678 -6.107 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.576 -5.467 -6.873 1.00 0.00 C ATOM 987 CE1 TYR A 70 2.764 -7.428 -6.177 1.00 0.00 C ATOM 988 CE2 TYR A 70 3.221 -5.208 -6.944 1.00 0.00 C ATOM 989 CZ TYR A 70 2.319 -6.192 -6.596 1.00 0.00 C ATOM 990 OH TYR A 70 0.968 -5.938 -6.666 1.00 0.00 O ATOM 0 H TYR A 70 6.306 -6.461 -9.223 1.00 0.00 H new ATOM 0 HA TYR A 70 8.122 -7.948 -7.456 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.726 -7.657 -5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.059 -6.052 -6.161 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.466 -8.647 -5.777 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.279 -4.695 -7.148 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.056 -8.197 -5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.870 -4.240 -7.270 1.00 0.00 H new ATOM 0 HH TYR A 70 0.823 -5.020 -6.978 1.00 0.00 H new ATOM 1000 N PHE A 71 6.459 -9.921 -7.423 1.00 0.00 N ATOM 1001 CA PHE A 71 5.713 -11.133 -7.739 1.00 0.00 C ATOM 1002 C PHE A 71 5.028 -11.690 -6.494 1.00 0.00 C ATOM 1003 O PHE A 71 5.650 -12.330 -5.646 1.00 0.00 O ATOM 1004 CB PHE A 71 6.644 -12.190 -8.338 1.00 0.00 C ATOM 1005 CG PHE A 71 5.918 -13.280 -9.073 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.334 -13.033 -10.305 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.821 -14.552 -8.533 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.666 -14.034 -10.984 1.00 0.00 C ATOM 1009 CE2 PHE A 71 5.154 -15.558 -9.207 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.576 -15.298 -10.435 1.00 0.00 C ATOM 0 H PHE A 71 7.131 -10.026 -6.663 1.00 0.00 H new ATOM 0 HA PHE A 71 4.947 -10.877 -8.471 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.341 -11.704 -9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.238 -12.634 -7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.402 -12.047 -10.740 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.272 -14.760 -7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.215 -13.828 -11.943 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.085 -16.545 -8.775 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.055 -16.082 -10.964 1.00 0.00 H new ATOM 1020 N PRO A 72 3.715 -11.439 -6.379 1.00 0.00 N ATOM 1021 CA PRO A 72 2.916 -11.905 -5.242 1.00 0.00 C ATOM 1022 C PRO A 72 2.727 -13.418 -5.248 1.00 0.00 C ATOM 1023 O PRO A 72 2.600 -14.035 -6.307 1.00 0.00 O ATOM 1024 CB PRO A 72 1.574 -11.197 -5.438 1.00 0.00 C ATOM 1025 CG PRO A 72 1.496 -10.929 -6.901 1.00 0.00 C ATOM 1026 CD PRO A 72 2.909 -10.682 -7.352 1.00 0.00 C ATOM 0 HA PRO A 72 3.395 -11.683 -4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.745 -11.822 -5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.527 -10.272 -4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.060 -11.776 -7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.864 -10.065 -7.106 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.073 -11.034 -8.370 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.155 -9.620 -7.338 1.00 0.00 H new ATOM 1034 N THR A 73 2.707 -14.013 -4.059 1.00 0.00 N ATOM 1035 CA THR A 73 2.534 -15.454 -3.928 1.00 0.00 C ATOM 1036 C THR A 73 1.342 -15.785 -3.038 1.00 0.00 C ATOM 1037 O THR A 73 0.816 -16.898 -3.075 1.00 0.00 O ATOM 1038 CB THR A 73 3.795 -16.121 -3.347 1.00 0.00 C ATOM 1039 OG1 THR A 73 4.088 -15.575 -2.056 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.987 -15.920 -4.271 1.00 0.00 C ATOM 0 H THR A 73 2.809 -13.518 -3.173 1.00 0.00 H new ATOM 0 HA THR A 73 2.355 -15.844 -4.930 1.00 0.00 H new ATOM 0 HB THR A 73 3.604 -17.190 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.890 -16.006 -1.693 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.866 -16.399 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.772 -16.363 -5.244 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.178 -14.854 -4.392 1.00 0.00 H new ATOM 1048 N VAL A 74 0.918 -14.812 -2.237 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.214 -15.000 -1.338 1.00 0.00 C ATOM 1050 C VAL A 74 -1.175 -13.819 -1.411 1.00 0.00 C ATOM 1051 O VAL A 74 -0.785 -12.660 -1.278 1.00 0.00 O ATOM 1052 CB VAL A 74 0.251 -15.180 0.119 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -0.946 -15.317 1.049 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.170 -16.387 0.240 1.00 0.00 C ATOM 0 H VAL A 74 1.342 -13.885 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.729 -15.904 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 74 0.812 -14.293 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.598 -15.443 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.562 -14.420 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.536 -16.185 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.489 -16.499 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.636 -17.284 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.044 -16.244 -0.395 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.465 -14.119 -1.627 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.510 -13.096 -1.721 1.00 0.00 C ATOM 1066 C PRO A 75 -3.789 -12.427 -0.380 1.00 0.00 C ATOM 1067 O PRO A 75 -3.807 -13.083 0.660 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.736 -13.883 -2.191 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.490 -15.278 -1.729 1.00 0.00 C ATOM 1070 CD PRO A 75 -3.002 -15.480 -1.795 1.00 0.00 C ATOM 0 HA PRO A 75 -3.226 -12.284 -2.390 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.654 -13.480 -1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.844 -13.838 -3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.859 -15.423 -0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.010 -15.996 -2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.652 -16.150 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.698 -15.918 -2.746 1.00 0.00 H new ATOM 1078 N GLY A 76 -4.007 -11.115 -0.412 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.283 -10.379 0.808 1.00 0.00 C ATOM 1080 C GLY A 76 -4.166 -8.880 0.619 1.00 0.00 C ATOM 1081 O GLY A 76 -4.614 -8.337 -0.391 1.00 0.00 O ATOM 0 H GLY A 76 -3.997 -10.549 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.287 -10.621 1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.591 -10.699 1.587 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.565 -8.207 1.595 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.391 -6.761 1.533 1.00 0.00 C ATOM 1087 C VAL A 77 -1.916 -6.381 1.597 1.00 0.00 C ATOM 1088 O VAL A 77 -1.289 -6.462 2.653 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.142 -6.055 2.678 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -3.806 -4.572 2.702 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.642 -6.268 2.541 1.00 0.00 C ATOM 0 H VAL A 77 -3.190 -8.641 2.439 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.806 -6.434 0.580 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.821 -6.491 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.346 -4.090 3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.734 -4.444 2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.097 -4.118 1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.157 -5.763 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.982 -5.859 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.863 -7.335 2.577 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.368 -5.965 0.460 1.00 0.00 N ATOM 1102 CA TYR A 78 0.035 -5.574 0.386 1.00 0.00 C ATOM 1103 C TYR A 78 0.192 -4.069 0.586 1.00 0.00 C ATOM 1104 O TYR A 78 -0.399 -3.271 -0.141 1.00 0.00 O ATOM 1105 CB TYR A 78 0.630 -5.986 -0.961 1.00 0.00 C ATOM 1106 CG TYR A 78 0.920 -7.466 -1.067 1.00 0.00 C ATOM 1107 CD1 TYR A 78 2.150 -7.983 -0.678 1.00 0.00 C ATOM 1108 CD2 TYR A 78 -0.036 -8.348 -1.556 1.00 0.00 C ATOM 1109 CE1 TYR A 78 2.419 -9.335 -0.775 1.00 0.00 C ATOM 1110 CE2 TYR A 78 0.224 -9.701 -1.655 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.453 -10.189 -1.263 1.00 0.00 C ATOM 1112 OH TYR A 78 1.717 -11.537 -1.359 1.00 0.00 O ATOM 0 H TYR A 78 -1.874 -5.890 -0.423 1.00 0.00 H new ATOM 0 HA TYR A 78 0.572 -6.086 1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.060 -5.702 -1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.553 -5.431 -1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.908 -7.317 -0.293 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.999 -7.969 -1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.381 -9.720 -0.470 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.531 -10.373 -2.037 1.00 0.00 H new ATOM 0 HH TYR A 78 0.875 -12.029 -1.455 1.00 0.00 H new ATOM 1122 N ILE A 79 0.993 -3.691 1.576 1.00 0.00 N ATOM 1123 CA ILE A 79 1.230 -2.284 1.871 1.00 0.00 C ATOM 1124 C ILE A 79 2.505 -1.788 1.197 1.00 0.00 C ATOM 1125 O ILE A 79 3.612 -2.054 1.666 1.00 0.00 O ATOM 1126 CB ILE A 79 1.335 -2.036 3.387 1.00 0.00 C ATOM 1127 CG1 ILE A 79 0.050 -2.481 4.089 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.615 -0.567 3.666 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.172 -1.696 3.667 1.00 0.00 C ATOM 0 H ILE A 79 1.489 -4.340 2.187 1.00 0.00 H new ATOM 0 HA ILE A 79 0.376 -1.732 1.479 1.00 0.00 H new ATOM 0 HB ILE A 79 2.164 -2.625 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.119 -3.538 3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.181 -2.382 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.686 -0.408 4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.554 -0.280 3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.805 0.041 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.045 -2.065 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.024 -0.641 3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.329 -1.815 2.595 1.00 0.00 H new ATOM 1141 N VAL A 80 2.343 -1.065 0.094 1.00 0.00 N ATOM 1142 CA VAL A 80 3.480 -0.529 -0.644 1.00 0.00 C ATOM 1143 C VAL A 80 3.894 0.835 -0.102 1.00 0.00 C ATOM 1144 O VAL A 80 3.323 1.861 -0.472 1.00 0.00 O ATOM 1145 CB VAL A 80 3.164 -0.398 -2.146 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.317 0.272 -2.878 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.861 -1.762 -2.747 1.00 0.00 C ATOM 0 H VAL A 80 1.434 -0.837 -0.309 1.00 0.00 H new ATOM 0 HA VAL A 80 4.302 -1.233 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 80 2.280 0.229 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.076 0.356 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.482 1.267 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.221 -0.326 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.640 -1.651 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.725 -2.414 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.000 -2.199 -2.241 1.00 0.00 H new ATOM 1157 N SER A 81 4.890 0.839 0.778 1.00 0.00 N ATOM 1158 CA SER A 81 5.379 2.076 1.374 1.00 0.00 C ATOM 1159 C SER A 81 6.263 2.840 0.393 1.00 0.00 C ATOM 1160 O SER A 81 7.456 2.562 0.267 1.00 0.00 O ATOM 1161 CB SER A 81 6.159 1.777 2.655 1.00 0.00 C ATOM 1162 OG SER A 81 5.291 1.685 3.772 1.00 0.00 O ATOM 0 H SER A 81 5.374 -0.001 1.094 1.00 0.00 H new ATOM 0 HA SER A 81 4.517 2.697 1.619 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.709 0.843 2.540 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.896 2.561 2.827 1.00 0.00 H new ATOM 0 HG SER A 81 5.814 1.492 4.578 1.00 0.00 H new ATOM 1168 N THR A 82 5.669 3.806 -0.301 1.00 0.00 N ATOM 1169 CA THR A 82 6.400 4.610 -1.272 1.00 0.00 C ATOM 1170 C THR A 82 6.787 5.963 -0.686 1.00 0.00 C ATOM 1171 O THR A 82 5.938 6.832 -0.489 1.00 0.00 O ATOM 1172 CB THR A 82 5.573 4.836 -2.552 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.950 3.611 -2.954 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.451 5.358 -3.679 1.00 0.00 C ATOM 0 H THR A 82 4.683 4.050 -0.208 1.00 0.00 H new ATOM 0 HA THR A 82 7.303 4.055 -1.525 1.00 0.00 H new ATOM 0 HB THR A 82 4.806 5.580 -2.336 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.425 3.763 -3.767 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.845 5.510 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.901 6.305 -3.381 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.237 4.634 -3.893 1.00 0.00 H new ATOM 1182 N LYS A 83 8.075 6.135 -0.408 1.00 0.00 N ATOM 1183 CA LYS A 83 8.577 7.384 0.154 1.00 0.00 C ATOM 1184 C LYS A 83 9.539 8.068 -0.811 1.00 0.00 C ATOM 1185 O LYS A 83 10.210 7.409 -1.606 1.00 0.00 O ATOM 1186 CB LYS A 83 9.278 7.120 1.489 1.00 0.00 C ATOM 1187 CG LYS A 83 8.350 7.198 2.689 1.00 0.00 C ATOM 1188 CD LYS A 83 9.123 7.431 3.977 1.00 0.00 C ATOM 1189 CE LYS A 83 9.596 6.121 4.587 1.00 0.00 C ATOM 1190 NZ LYS A 83 10.499 6.345 5.750 1.00 0.00 N ATOM 0 H LYS A 83 8.791 5.425 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 83 7.727 8.046 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.738 6.132 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.084 7.843 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.632 8.005 2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.778 6.273 2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.982 8.071 3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.491 7.959 4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.733 5.536 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.117 5.535 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.800 5.428 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.335 6.882 5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.994 6.882 6.483 1.00 0.00 H new ATOM 1204 N PHE A 84 9.603 9.393 -0.736 1.00 0.00 N ATOM 1205 CA PHE A 84 10.484 10.167 -1.604 1.00 0.00 C ATOM 1206 C PHE A 84 11.016 11.399 -0.878 1.00 0.00 C ATOM 1207 O PHE A 84 10.275 12.345 -0.615 1.00 0.00 O ATOM 1208 CB PHE A 84 9.742 10.589 -2.874 1.00 0.00 C ATOM 1209 CG PHE A 84 10.512 11.559 -3.723 1.00 0.00 C ATOM 1210 CD1 PHE A 84 11.419 11.105 -4.667 1.00 0.00 C ATOM 1211 CD2 PHE A 84 10.330 12.925 -3.577 1.00 0.00 C ATOM 1212 CE1 PHE A 84 12.130 11.995 -5.451 1.00 0.00 C ATOM 1213 CE2 PHE A 84 11.037 13.819 -4.359 1.00 0.00 C ATOM 1214 CZ PHE A 84 11.939 13.353 -5.296 1.00 0.00 C ATOM 0 H PHE A 84 9.055 9.954 -0.083 1.00 0.00 H new ATOM 0 HA PHE A 84 11.329 9.536 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.515 9.701 -3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.789 11.039 -2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 84 11.573 10.043 -4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.628 13.295 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 84 12.834 11.628 -6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 84 10.884 14.881 -4.238 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.494 14.050 -5.906 1.00 0.00 H new ATOM 1224 N ALA A 85 12.306 11.378 -0.558 1.00 0.00 N ATOM 1225 CA ALA A 85 12.939 12.494 0.135 1.00 0.00 C ATOM 1226 C ALA A 85 12.406 12.629 1.558 1.00 0.00 C ATOM 1227 O ALA A 85 12.052 13.723 1.997 1.00 0.00 O ATOM 1228 CB ALA A 85 12.721 13.787 -0.637 1.00 0.00 C ATOM 0 H ALA A 85 12.933 10.601 -0.767 1.00 0.00 H new ATOM 0 HA ALA A 85 14.009 12.294 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.199 14.612 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.155 13.694 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.652 13.983 -0.724 1.00 0.00 H new ATOM 1234 N ASP A 86 12.352 11.510 2.273 1.00 0.00 N ATOM 1235 CA ASP A 86 11.863 11.504 3.647 1.00 0.00 C ATOM 1236 C ASP A 86 10.428 12.018 3.715 1.00 0.00 C ATOM 1237 O ASP A 86 10.070 12.766 4.624 1.00 0.00 O ATOM 1238 CB ASP A 86 12.767 12.359 4.536 1.00 0.00 C ATOM 1239 CG ASP A 86 12.362 12.304 5.996 1.00 0.00 C ATOM 1240 OD1 ASP A 86 11.930 11.224 6.451 1.00 0.00 O ATOM 1241 OD2 ASP A 86 12.477 13.340 6.684 1.00 0.00 O ATOM 0 H ASP A 86 12.641 10.596 1.924 1.00 0.00 H new ATOM 0 HA ASP A 86 11.879 10.476 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.798 12.019 4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.737 13.393 4.192 1.00 0.00 H new ATOM 1246 N GLU A 87 9.612 11.611 2.748 1.00 0.00 N ATOM 1247 CA GLU A 87 8.217 12.032 2.698 1.00 0.00 C ATOM 1248 C GLU A 87 7.378 11.041 1.897 1.00 0.00 C ATOM 1249 O GLU A 87 7.700 10.719 0.753 1.00 0.00 O ATOM 1250 CB GLU A 87 8.104 13.428 2.081 1.00 0.00 C ATOM 1251 CG GLU A 87 8.563 14.541 3.008 1.00 0.00 C ATOM 1252 CD GLU A 87 8.353 15.920 2.412 1.00 0.00 C ATOM 1253 OE1 GLU A 87 8.660 16.101 1.215 1.00 0.00 O ATOM 1254 OE2 GLU A 87 7.881 16.816 3.141 1.00 0.00 O ATOM 0 H GLU A 87 9.893 10.990 1.989 1.00 0.00 H new ATOM 0 HA GLU A 87 7.837 12.062 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.696 13.461 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.067 13.608 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.021 14.470 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.620 14.405 3.237 1.00 0.00 H new ATOM 1261 N HIS A 88 6.299 10.559 2.507 1.00 0.00 N ATOM 1262 CA HIS A 88 5.413 9.604 1.852 1.00 0.00 C ATOM 1263 C HIS A 88 4.553 10.296 0.799 1.00 0.00 C ATOM 1264 O HIS A 88 3.962 11.345 1.056 1.00 0.00 O ATOM 1265 CB HIS A 88 4.520 8.914 2.884 1.00 0.00 C ATOM 1266 CG HIS A 88 5.123 7.671 3.462 1.00 0.00 C ATOM 1267 ND1 HIS A 88 4.786 6.403 3.039 1.00 0.00 N ATOM 1268 CD2 HIS A 88 6.049 7.507 4.436 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.476 5.513 3.728 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.251 6.157 4.582 1.00 0.00 N ATOM 0 H HIS A 88 6.018 10.814 3.454 1.00 0.00 H new ATOM 0 HA HIS A 88 6.029 8.854 1.357 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.305 9.613 3.692 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.567 8.663 2.418 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.109 6.186 2.308 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.538 8.292 4.994 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.417 4.441 3.613 1.00 0.00 H new ATOM 1279 N VAL A 89 4.487 9.701 -0.389 1.00 0.00 N ATOM 1280 CA VAL A 89 3.699 10.260 -1.481 1.00 0.00 C ATOM 1281 C VAL A 89 2.318 10.689 -0.998 1.00 0.00 C ATOM 1282 O VAL A 89 1.804 10.198 0.007 1.00 0.00 O ATOM 1283 CB VAL A 89 3.538 9.248 -2.631 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.792 9.212 -3.490 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.217 7.866 -2.083 1.00 0.00 C ATOM 0 H VAL A 89 4.970 8.832 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 89 4.239 11.133 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 89 2.706 9.567 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.660 8.492 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.972 10.201 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.644 8.918 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.107 7.164 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.026 7.536 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.288 7.907 -1.515 1.00 0.00 H new ATOM 1295 N PRO A 90 1.701 11.628 -1.731 1.00 0.00 N ATOM 1296 CA PRO A 90 0.370 12.144 -1.398 1.00 0.00 C ATOM 1297 C PRO A 90 -0.726 11.108 -1.623 1.00 0.00 C ATOM 1298 O PRO A 90 -1.418 11.132 -2.640 1.00 0.00 O ATOM 1299 CB PRO A 90 0.196 13.323 -2.358 1.00 0.00 C ATOM 1300 CG PRO A 90 1.082 13.005 -3.513 1.00 0.00 C ATOM 1301 CD PRO A 90 2.255 12.257 -2.942 1.00 0.00 C ATOM 0 HA PRO A 90 0.291 12.418 -0.346 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.842 13.427 -2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.482 14.263 -1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.557 12.401 -4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.407 13.915 -4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.637 11.514 -3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.082 12.926 -2.705 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.880 10.198 -0.665 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.895 9.167 -0.778 1.00 0.00 C ATOM 1311 C GLY A 91 -1.457 7.853 -0.162 1.00 0.00 C ATOM 1312 O GLY A 91 -2.246 6.914 -0.060 1.00 0.00 O ATOM 0 H GLY A 91 -0.320 10.157 0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.809 9.506 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.134 9.010 -1.830 1.00 0.00 H new ATOM 1316 N SER A 92 -0.195 7.785 0.248 1.00 0.00 N ATOM 1317 CA SER A 92 0.349 6.574 0.852 1.00 0.00 C ATOM 1318 C SER A 92 -0.164 6.402 2.279 1.00 0.00 C ATOM 1319 O SER A 92 -0.643 7.343 2.911 1.00 0.00 O ATOM 1320 CB SER A 92 1.878 6.620 0.850 1.00 0.00 C ATOM 1321 OG SER A 92 2.405 5.999 -0.311 1.00 0.00 O ATOM 0 H SER A 92 0.471 8.554 0.173 1.00 0.00 H new ATOM 0 HA SER A 92 0.018 5.721 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.214 7.656 0.897 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.261 6.120 1.740 1.00 0.00 H new ATOM 0 HG SER A 92 1.696 5.903 -0.981 1.00 0.00 H new ATOM 1327 N PRO A 93 -0.060 5.170 2.800 1.00 0.00 N ATOM 1328 CA PRO A 93 0.509 4.042 2.056 1.00 0.00 C ATOM 1329 C PRO A 93 -0.391 3.589 0.912 1.00 0.00 C ATOM 1330 O PRO A 93 -1.520 4.060 0.773 1.00 0.00 O ATOM 1331 CB PRO A 93 0.623 2.942 3.114 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.413 3.282 4.128 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.491 4.784 4.154 1.00 0.00 C ATOM 0 HA PRO A 93 1.458 4.301 1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.445 1.957 2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.619 2.921 3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.376 2.846 3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.144 2.888 5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.502 5.130 4.368 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.160 5.207 4.919 1.00 0.00 H new ATOM 1341 N PHE A 94 0.116 2.673 0.093 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.642 2.157 -1.040 1.00 0.00 C ATOM 1343 C PHE A 94 -1.151 0.746 -0.757 1.00 0.00 C ATOM 1344 O PHE A 94 -0.380 -0.214 -0.747 1.00 0.00 O ATOM 1345 CB PHE A 94 0.223 2.156 -2.302 1.00 0.00 C ATOM 1346 CG PHE A 94 0.186 3.455 -3.055 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.386 4.658 -2.398 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.049 3.472 -4.421 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.353 5.855 -3.089 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.083 4.666 -5.116 1.00 0.00 C ATOM 1351 CZ PHE A 94 0.118 5.859 -4.449 1.00 0.00 C ATOM 0 H PHE A 94 1.049 2.273 0.193 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.501 2.809 -1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.254 1.934 -2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.110 1.354 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.570 4.661 -1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.207 2.542 -4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.511 6.786 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.267 4.666 -6.180 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.091 6.793 -4.991 1.00 0.00 H new ATOM 1361 N THR A 95 -2.455 0.629 -0.527 1.00 0.00 N ATOM 1362 CA THR A 95 -3.067 -0.663 -0.242 1.00 0.00 C ATOM 1363 C THR A 95 -3.416 -1.402 -1.529 1.00 0.00 C ATOM 1364 O THR A 95 -4.270 -0.961 -2.299 1.00 0.00 O ATOM 1365 CB THR A 95 -4.343 -0.505 0.607 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.034 0.163 1.835 1.00 0.00 O ATOM 1367 CG2 THR A 95 -4.966 -1.860 0.904 1.00 0.00 C ATOM 0 H THR A 95 -3.107 1.413 -0.533 1.00 0.00 H new ATOM 0 HA THR A 95 -2.334 -1.243 0.320 1.00 0.00 H new ATOM 0 HB THR A 95 -5.059 0.090 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.850 0.261 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.865 -1.723 1.504 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.226 -2.354 -0.032 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.253 -2.476 1.453 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.750 -2.530 -1.757 1.00 0.00 N ATOM 1376 CA VAL A 96 -2.991 -3.332 -2.951 1.00 0.00 C ATOM 1377 C VAL A 96 -3.756 -4.606 -2.612 1.00 0.00 C ATOM 1378 O VAL A 96 -3.207 -5.534 -2.018 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.671 -3.710 -3.649 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -1.947 -4.473 -4.936 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -0.839 -2.466 -3.925 1.00 0.00 C ATOM 0 H VAL A 96 -2.040 -2.909 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.589 -2.721 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.102 -4.360 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.003 -4.732 -5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.499 -5.384 -4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.537 -3.850 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.090 -2.752 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.399 -1.789 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.611 -1.965 -2.984 1.00 0.00 H new ATOM 1391 N LYS A 97 -5.029 -4.644 -2.993 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.872 -5.804 -2.732 1.00 0.00 C ATOM 1393 C LYS A 97 -5.682 -6.868 -3.808 1.00 0.00 C ATOM 1394 O LYS A 97 -6.153 -6.714 -4.936 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.343 -5.387 -2.665 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.765 -4.862 -1.304 1.00 0.00 C ATOM 1397 CD LYS A 97 -9.266 -4.987 -1.099 1.00 0.00 C ATOM 1398 CE LYS A 97 -9.665 -4.631 0.324 1.00 0.00 C ATOM 1399 NZ LYS A 97 -11.102 -4.251 0.419 1.00 0.00 N ATOM 0 H LYS A 97 -5.499 -3.884 -3.484 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.577 -6.227 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.528 -4.618 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.967 -6.243 -2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.243 -5.414 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.470 -3.817 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.786 -4.332 -1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.581 -6.006 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.470 -5.480 0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.047 -3.806 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.334 -4.015 1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.283 -3.425 -0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.693 -5.047 0.105 1.00 0.00 H new ATOM 1413 N ILE A 98 -4.991 -7.946 -3.453 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.743 -9.036 -4.389 1.00 0.00 C ATOM 1415 C ILE A 98 -5.892 -10.038 -4.383 1.00 0.00 C ATOM 1416 O ILE A 98 -6.336 -10.483 -3.325 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.431 -9.773 -4.059 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.233 -8.842 -4.257 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -3.291 -11.017 -4.923 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.078 -8.353 -5.680 1.00 0.00 C ATOM 0 H ILE A 98 -4.593 -8.088 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.660 -8.589 -5.380 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.458 -10.081 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.338 -7.982 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.324 -9.364 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.359 -11.527 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.131 -11.686 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.282 -10.731 -5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.209 -7.698 -5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.942 -9.206 -6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.971 -7.802 -5.975 1.00 0.00 H new ATOM 1432 N SER A 99 -6.368 -10.391 -5.573 1.00 0.00 N ATOM 1433 CA SER A 99 -7.467 -11.340 -5.706 1.00 0.00 C ATOM 1434 C SER A 99 -7.002 -12.758 -5.386 1.00 0.00 C ATOM 1435 O SER A 99 -7.351 -13.318 -4.348 1.00 0.00 O ATOM 1436 CB SER A 99 -8.045 -11.288 -7.121 1.00 0.00 C ATOM 1437 OG SER A 99 -9.030 -12.290 -7.307 1.00 0.00 O ATOM 0 H SER A 99 -6.010 -10.034 -6.459 1.00 0.00 H new ATOM 0 HA SER A 99 -8.243 -11.061 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.482 -10.306 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.245 -11.421 -7.849 1.00 0.00 H new ATOM 0 HG SER A 99 -9.385 -12.234 -8.219 1.00 0.00 H new