USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -0.0224 (180deg=-0.246) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 166:sc=-0.00511 (180deg=-0.225) USER MOD Single : A 25 SER OG : rot 180:sc= -0.64 USER MOD Single : A 26 CYS SG : rot -170:sc= -0.994 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -158:sc= 1.45 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 17:sc= 0.19 USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= -0.081 (180deg=-1.06) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.093) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.826 USER MOD Single : A 61 GLN : amide:sc= -0.852 X(o=-0.85,f=-0.85) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -1.66! USER MOD Single : A 90 LYS NZ :NH3+ 135:sc= -0.0571 (180deg=-0.399) USER MOD Single : A 92 SER OG : rot -10:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 10 1.077 17.550 -6.701 1.00 0.00 N ATOM 101 CA GLY A 10 0.281 16.396 -7.077 1.00 0.00 C ATOM 102 C GLY A 10 1.093 15.117 -7.106 1.00 0.00 C ATOM 103 O GLY A 10 2.175 15.074 -7.693 1.00 0.00 O ATOM 0 HA2 GLY A 10 -0.544 16.283 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.159 16.566 -8.060 1.00 0.00 H new ATOM 107 N ILE A 11 0.573 14.072 -6.471 1.00 0.00 N ATOM 108 CA ILE A 11 1.257 12.786 -6.427 1.00 0.00 C ATOM 109 C ILE A 11 1.837 12.425 -7.790 1.00 0.00 C ATOM 110 O ILE A 11 1.100 12.150 -8.738 1.00 0.00 O ATOM 111 CB ILE A 11 0.311 11.661 -5.969 1.00 0.00 C ATOM 112 CG1 ILE A 11 -0.201 11.939 -4.554 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.022 10.316 -6.025 1.00 0.00 C ATOM 114 CD1 ILE A 11 -1.571 11.359 -4.282 1.00 0.00 C ATOM 0 H ILE A 11 -0.321 14.091 -5.980 1.00 0.00 H new ATOM 0 HA ILE A 11 2.068 12.884 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.544 11.628 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.507 11.530 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.233 13.017 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.341 9.530 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.343 10.116 -7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.892 10.337 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.870 11.595 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.292 11.786 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.540 10.277 -4.410 1.00 0.00 H new ATOM 126 N THR A 12 3.163 12.425 -7.883 1.00 0.00 N ATOM 127 CA THR A 12 3.842 12.096 -9.130 1.00 0.00 C ATOM 128 C THR A 12 4.030 10.590 -9.273 1.00 0.00 C ATOM 129 O THR A 12 4.208 10.079 -10.379 1.00 0.00 O ATOM 130 CB THR A 12 5.217 12.784 -9.218 1.00 0.00 C ATOM 131 OG1 THR A 12 5.949 12.274 -10.338 1.00 0.00 O ATOM 132 CG2 THR A 12 6.016 12.564 -7.942 1.00 0.00 C ATOM 0 H THR A 12 3.788 12.649 -7.109 1.00 0.00 H new ATOM 0 HA THR A 12 3.209 12.459 -9.940 1.00 0.00 H new ATOM 0 HB THR A 12 5.055 13.854 -9.346 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.821 12.718 -10.388 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.983 13.059 -8.028 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.470 12.979 -7.095 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.168 11.496 -7.788 1.00 0.00 H new ATOM 140 N LYS A 13 3.987 9.884 -8.149 1.00 0.00 N ATOM 141 CA LYS A 13 4.151 8.435 -8.149 1.00 0.00 C ATOM 142 C LYS A 13 2.960 7.753 -7.482 1.00 0.00 C ATOM 143 O LYS A 13 3.013 7.402 -6.304 1.00 0.00 O ATOM 144 CB LYS A 13 5.443 8.047 -7.428 1.00 0.00 C ATOM 145 CG LYS A 13 5.607 6.549 -7.236 1.00 0.00 C ATOM 146 CD LYS A 13 6.272 5.902 -8.440 1.00 0.00 C ATOM 147 CE LYS A 13 7.765 6.193 -8.475 1.00 0.00 C ATOM 148 NZ LYS A 13 8.492 5.489 -7.383 1.00 0.00 N ATOM 0 H LYS A 13 3.840 10.292 -7.226 1.00 0.00 H new ATOM 0 HA LYS A 13 4.206 8.101 -9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.293 8.427 -7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.465 8.534 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.204 6.359 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.631 6.093 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.111 4.824 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.807 6.269 -9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.172 5.887 -9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.928 7.267 -8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.509 5.470 -7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.338 5.990 -6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.137 4.515 -7.301 1.00 0.00 H new ATOM 162 N ARG A 14 1.887 7.568 -8.245 1.00 0.00 N ATOM 163 CA ARG A 14 0.684 6.928 -7.728 1.00 0.00 C ATOM 164 C ARG A 14 0.908 5.432 -7.525 1.00 0.00 C ATOM 165 O ARG A 14 1.739 4.821 -8.199 1.00 0.00 O ATOM 166 CB ARG A 14 -0.490 7.154 -8.682 1.00 0.00 C ATOM 167 CG ARG A 14 -0.316 6.479 -10.032 1.00 0.00 C ATOM 168 CD ARG A 14 -1.261 7.061 -11.072 1.00 0.00 C ATOM 169 NE ARG A 14 -1.177 6.352 -12.346 1.00 0.00 N ATOM 170 CZ ARG A 14 -1.820 5.217 -12.598 1.00 0.00 C ATOM 171 NH1 ARG A 14 -2.589 4.666 -11.669 1.00 0.00 N ATOM 172 NH2 ARG A 14 -1.694 4.630 -13.782 1.00 0.00 N ATOM 0 H ARG A 14 1.827 7.852 -9.223 1.00 0.00 H new ATOM 0 HA ARG A 14 0.450 7.377 -6.763 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.403 6.784 -8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.622 8.225 -8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.714 6.596 -10.369 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.498 5.409 -9.931 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.284 7.015 -10.698 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.025 8.114 -11.227 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.593 6.750 -13.082 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.688 5.114 -10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.081 3.795 -11.866 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.103 5.050 -14.499 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.188 3.759 -13.974 1.00 0.00 H new ATOM 186 N LEU A 15 0.162 4.848 -6.594 1.00 0.00 N ATOM 187 CA LEU A 15 0.279 3.423 -6.302 1.00 0.00 C ATOM 188 C LEU A 15 0.057 2.590 -7.560 1.00 0.00 C ATOM 189 O LEU A 15 -0.876 2.837 -8.325 1.00 0.00 O ATOM 190 CB LEU A 15 -0.729 3.019 -5.224 1.00 0.00 C ATOM 191 CG LEU A 15 -0.558 3.689 -3.860 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.877 3.706 -3.104 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.516 2.980 -3.048 1.00 0.00 C ATOM 0 H LEU A 15 -0.530 5.339 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 15 1.288 3.233 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.731 3.239 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.670 1.939 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.242 4.720 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.735 4.187 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.619 4.260 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.224 2.684 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.624 3.470 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.230 1.939 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.464 3.022 -3.584 1.00 0.00 H new ATOM 205 N LYS A 16 0.918 1.600 -7.767 1.00 0.00 N ATOM 206 CA LYS A 16 0.815 0.726 -8.930 1.00 0.00 C ATOM 207 C LYS A 16 0.179 -0.608 -8.553 1.00 0.00 C ATOM 208 O LYS A 16 0.341 -1.091 -7.432 1.00 0.00 O ATOM 209 CB LYS A 16 2.199 0.489 -9.540 1.00 0.00 C ATOM 210 CG LYS A 16 2.886 1.763 -10.001 1.00 0.00 C ATOM 211 CD LYS A 16 3.915 1.481 -11.083 1.00 0.00 C ATOM 212 CE LYS A 16 3.251 1.108 -12.400 1.00 0.00 C ATOM 213 NZ LYS A 16 4.246 0.938 -13.494 1.00 0.00 N ATOM 0 H LYS A 16 1.696 1.382 -7.144 1.00 0.00 H new ATOM 0 HA LYS A 16 0.179 1.217 -9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.831 -0.009 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.102 -0.189 -10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.141 2.463 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.372 2.243 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.543 2.360 -11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.569 0.671 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.688 0.183 -12.274 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.535 1.881 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.754 0.684 -14.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.766 1.828 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.914 0.183 -13.241 1.00 0.00 H new ATOM 227 N THR A 17 -0.544 -1.201 -9.498 1.00 0.00 N ATOM 228 CA THR A 17 -1.204 -2.480 -9.265 1.00 0.00 C ATOM 229 C THR A 17 -0.195 -3.559 -8.891 1.00 0.00 C ATOM 230 O THR A 17 0.754 -3.818 -9.630 1.00 0.00 O ATOM 231 CB THR A 17 -1.993 -2.939 -10.506 1.00 0.00 C ATOM 232 OG1 THR A 17 -2.842 -1.881 -10.966 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.832 -4.168 -10.190 1.00 0.00 C ATOM 0 H THR A 17 -0.687 -0.816 -10.432 1.00 0.00 H new ATOM 0 HA THR A 17 -1.897 -2.332 -8.437 1.00 0.00 H new ATOM 0 HB THR A 17 -1.279 -3.197 -11.288 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.339 -2.180 -11.756 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.380 -4.473 -11.081 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.180 -4.980 -9.868 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.538 -3.932 -9.393 1.00 0.00 H new ATOM 241 N MET A 18 -0.407 -4.187 -7.739 1.00 0.00 N ATOM 242 CA MET A 18 0.484 -5.240 -7.267 1.00 0.00 C ATOM 243 C MET A 18 -0.143 -6.616 -7.475 1.00 0.00 C ATOM 244 O MET A 18 -1.363 -6.744 -7.566 1.00 0.00 O ATOM 245 CB MET A 18 0.813 -5.036 -5.788 1.00 0.00 C ATOM 246 CG MET A 18 1.537 -6.214 -5.157 1.00 0.00 C ATOM 247 SD MET A 18 3.215 -6.415 -5.786 1.00 0.00 S ATOM 248 CE MET A 18 4.043 -5.042 -4.987 1.00 0.00 C ATOM 0 H MET A 18 -1.188 -3.985 -7.115 1.00 0.00 H new ATOM 0 HA MET A 18 1.406 -5.188 -7.847 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.428 -4.143 -5.681 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.112 -4.853 -5.241 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.572 -6.077 -4.076 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.971 -7.126 -5.345 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.122 -5.169 -5.071 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.749 -4.110 -5.469 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.762 -5.011 -3.934 1.00 0.00 H new ATOM 258 N GLU A 19 0.701 -7.640 -7.550 1.00 0.00 N ATOM 259 CA GLU A 19 0.228 -9.005 -7.748 1.00 0.00 C ATOM 260 C GLU A 19 1.045 -9.991 -6.917 1.00 0.00 C ATOM 261 O GLU A 19 2.234 -10.193 -7.166 1.00 0.00 O ATOM 262 CB GLU A 19 0.303 -9.385 -9.229 1.00 0.00 C ATOM 263 CG GLU A 19 -0.872 -8.878 -10.047 1.00 0.00 C ATOM 264 CD GLU A 19 -0.640 -9.003 -11.541 1.00 0.00 C ATOM 265 OE1 GLU A 19 0.375 -8.464 -12.030 1.00 0.00 O ATOM 266 OE2 GLU A 19 -1.472 -9.639 -12.220 1.00 0.00 O ATOM 0 H GLU A 19 1.714 -7.551 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.810 -9.053 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.227 -8.989 -9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.353 -10.470 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.768 -9.436 -9.774 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.059 -7.833 -9.798 1.00 0.00 H new ATOM 273 N VAL A 20 0.399 -10.600 -5.928 1.00 0.00 N ATOM 274 CA VAL A 20 1.064 -11.564 -5.060 1.00 0.00 C ATOM 275 C VAL A 20 0.193 -12.795 -4.836 1.00 0.00 C ATOM 276 O VAL A 20 -0.958 -12.843 -5.274 1.00 0.00 O ATOM 277 CB VAL A 20 1.415 -10.942 -3.695 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.129 -9.612 -3.882 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.161 -10.770 -2.851 1.00 0.00 C ATOM 0 H VAL A 20 -0.584 -10.443 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 20 1.984 -11.860 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 20 2.090 -11.618 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.369 -9.188 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.049 -9.769 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.482 -8.925 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.427 -10.329 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.539 -10.115 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.304 -11.742 -2.688 1.00 0.00 H new ATOM 289 N LEU A 21 0.748 -13.789 -4.152 1.00 0.00 N ATOM 290 CA LEU A 21 0.021 -15.022 -3.869 1.00 0.00 C ATOM 291 C LEU A 21 -0.537 -15.012 -2.449 1.00 0.00 C ATOM 292 O LEU A 21 0.076 -14.459 -1.536 1.00 0.00 O ATOM 293 CB LEU A 21 0.936 -16.232 -4.060 1.00 0.00 C ATOM 294 CG LEU A 21 0.250 -17.599 -4.067 1.00 0.00 C ATOM 295 CD1 LEU A 21 -0.611 -17.758 -5.311 1.00 0.00 C ATOM 296 CD2 LEU A 21 1.282 -18.714 -3.984 1.00 0.00 C ATOM 0 H LEU A 21 1.699 -13.766 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.813 -15.091 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.472 -16.112 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.682 -16.227 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.397 -17.664 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.091 -18.737 -5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.374 -16.980 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.014 -17.672 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.776 -19.679 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.955 -18.652 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.856 -18.611 -3.063 1.00 0.00 H new ATOM 308 N GLU A 22 -1.701 -15.628 -2.271 1.00 0.00 N ATOM 309 CA GLU A 22 -2.340 -15.690 -0.962 1.00 0.00 C ATOM 310 C GLU A 22 -1.325 -16.043 0.122 1.00 0.00 C ATOM 311 O GLU A 22 -0.571 -17.007 -0.008 1.00 0.00 O ATOM 312 CB GLU A 22 -3.472 -16.719 -0.971 1.00 0.00 C ATOM 313 CG GLU A 22 -4.090 -16.956 0.397 1.00 0.00 C ATOM 314 CD GLU A 22 -5.356 -17.788 0.329 1.00 0.00 C ATOM 315 OE1 GLU A 22 -5.443 -18.666 -0.554 1.00 0.00 O ATOM 316 OE2 GLU A 22 -6.260 -17.561 1.161 1.00 0.00 O ATOM 0 H GLU A 22 -2.221 -16.091 -3.017 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.755 -14.707 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.249 -16.386 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.089 -17.664 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.364 -17.457 1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.315 -15.996 0.861 1.00 0.00 H new ATOM 323 N GLY A 23 -1.313 -15.254 1.192 1.00 0.00 N ATOM 324 CA GLY A 23 -0.387 -15.499 2.283 1.00 0.00 C ATOM 325 C GLY A 23 0.895 -14.701 2.145 1.00 0.00 C ATOM 326 O GLY A 23 1.503 -14.315 3.143 1.00 0.00 O ATOM 0 H GLY A 23 -1.927 -14.450 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.868 -15.247 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.148 -16.562 2.321 1.00 0.00 H new ATOM 330 N GLU A 24 1.307 -14.456 0.905 1.00 0.00 N ATOM 331 CA GLU A 24 2.527 -13.701 0.642 1.00 0.00 C ATOM 332 C GLU A 24 2.528 -12.384 1.411 1.00 0.00 C ATOM 333 O GLU A 24 1.535 -12.019 2.041 1.00 0.00 O ATOM 334 CB GLU A 24 2.671 -13.430 -0.857 1.00 0.00 C ATOM 335 CG GLU A 24 2.999 -14.670 -1.672 1.00 0.00 C ATOM 336 CD GLU A 24 4.326 -15.291 -1.281 1.00 0.00 C ATOM 337 OE1 GLU A 24 5.376 -14.697 -1.605 1.00 0.00 O ATOM 338 OE2 GLU A 24 4.314 -16.369 -0.652 1.00 0.00 O ATOM 0 H GLU A 24 0.815 -14.769 0.068 1.00 0.00 H new ATOM 0 HA GLU A 24 3.374 -14.298 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.743 -12.996 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.454 -12.688 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.205 -15.406 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.022 -14.409 -2.730 1.00 0.00 H new ATOM 345 N SER A 25 3.651 -11.674 1.356 1.00 0.00 N ATOM 346 CA SER A 25 3.784 -10.399 2.051 1.00 0.00 C ATOM 347 C SER A 25 4.638 -9.427 1.242 1.00 0.00 C ATOM 348 O SER A 25 5.860 -9.570 1.169 1.00 0.00 O ATOM 349 CB SER A 25 4.402 -10.610 3.434 1.00 0.00 C ATOM 350 OG SER A 25 3.511 -11.303 4.291 1.00 0.00 O ATOM 0 H SER A 25 4.481 -11.960 0.837 1.00 0.00 H new ATOM 0 HA SER A 25 2.789 -9.971 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.331 -11.172 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.657 -9.645 3.873 1.00 0.00 H new ATOM 0 HG SER A 25 3.930 -11.427 5.168 1.00 0.00 H new ATOM 356 N CYS A 26 3.988 -8.439 0.638 1.00 0.00 N ATOM 357 CA CYS A 26 4.686 -7.442 -0.166 1.00 0.00 C ATOM 358 C CYS A 26 4.534 -6.051 0.440 1.00 0.00 C ATOM 359 O CYS A 26 3.949 -5.890 1.511 1.00 0.00 O ATOM 360 CB CYS A 26 4.154 -7.449 -1.599 1.00 0.00 C ATOM 361 SG CYS A 26 5.027 -8.580 -2.706 1.00 0.00 S ATOM 0 H CYS A 26 2.978 -8.307 0.690 1.00 0.00 H new ATOM 0 HA CYS A 26 5.745 -7.698 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.098 -7.718 -1.582 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.219 -6.439 -2.004 1.00 0.00 H new ATOM 0 HG CYS A 26 4.650 -8.365 -3.931 1.00 0.00 H new ATOM 367 N SER A 27 5.066 -5.048 -0.252 1.00 0.00 N ATOM 368 CA SER A 27 4.995 -3.671 0.221 1.00 0.00 C ATOM 369 C SER A 27 4.707 -2.715 -0.933 1.00 0.00 C ATOM 370 O SER A 27 5.113 -2.956 -2.070 1.00 0.00 O ATOM 371 CB SER A 27 6.302 -3.277 0.910 1.00 0.00 C ATOM 372 OG SER A 27 7.296 -2.932 -0.040 1.00 0.00 O ATOM 0 H SER A 27 5.551 -5.164 -1.142 1.00 0.00 H new ATOM 0 HA SER A 27 4.179 -3.602 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.125 -2.434 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.655 -4.104 1.527 1.00 0.00 H new ATOM 0 HG SER A 27 8.121 -2.682 0.426 1.00 0.00 H new ATOM 378 N PHE A 28 4.002 -1.629 -0.632 1.00 0.00 N ATOM 379 CA PHE A 28 3.657 -0.637 -1.643 1.00 0.00 C ATOM 380 C PHE A 28 4.616 0.550 -1.589 1.00 0.00 C ATOM 381 O PHE A 28 5.505 0.603 -0.741 1.00 0.00 O ATOM 382 CB PHE A 28 2.219 -0.154 -1.446 1.00 0.00 C ATOM 383 CG PHE A 28 1.188 -1.109 -1.977 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.925 -2.300 -1.320 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.482 -0.815 -3.132 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.023 -3.181 -1.807 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.467 -1.692 -3.624 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.720 -2.876 -2.960 1.00 0.00 C ATOM 0 H PHE A 28 3.659 -1.414 0.304 1.00 0.00 H new ATOM 0 HA PHE A 28 3.743 -1.108 -2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.041 0.007 -0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.097 0.811 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.466 -2.543 -0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.675 0.110 -3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.218 -4.107 -1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.010 -1.451 -4.526 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.461 -3.562 -3.341 1.00 0.00 H new ATOM 398 N GLU A 29 4.427 1.497 -2.502 1.00 0.00 N ATOM 399 CA GLU A 29 5.275 2.682 -2.559 1.00 0.00 C ATOM 400 C GLU A 29 4.489 3.891 -3.058 1.00 0.00 C ATOM 401 O GLU A 29 3.736 3.798 -4.029 1.00 0.00 O ATOM 402 CB GLU A 29 6.478 2.431 -3.471 1.00 0.00 C ATOM 403 CG GLU A 29 7.267 1.184 -3.108 1.00 0.00 C ATOM 404 CD GLU A 29 8.577 1.082 -3.864 1.00 0.00 C ATOM 405 OE1 GLU A 29 8.552 0.664 -5.041 1.00 0.00 O ATOM 406 OE2 GLU A 29 9.628 1.420 -3.280 1.00 0.00 O ATOM 0 H GLU A 29 3.695 1.467 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 29 5.629 2.892 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.131 2.344 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.141 3.295 -3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.469 1.186 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.662 0.302 -3.317 1.00 0.00 H new ATOM 413 N CYS A 30 4.668 5.023 -2.387 1.00 0.00 N ATOM 414 CA CYS A 30 3.974 6.251 -2.760 1.00 0.00 C ATOM 415 C CYS A 30 4.862 7.469 -2.528 1.00 0.00 C ATOM 416 O CYS A 30 5.136 7.843 -1.388 1.00 0.00 O ATOM 417 CB CYS A 30 2.677 6.391 -1.963 1.00 0.00 C ATOM 418 SG CYS A 30 1.486 7.544 -2.686 1.00 0.00 S ATOM 0 H CYS A 30 5.287 5.116 -1.582 1.00 0.00 H new ATOM 0 HA CYS A 30 3.735 6.195 -3.822 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.210 5.410 -1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.918 6.721 -0.952 1.00 0.00 H new ATOM 0 HG CYS A 30 0.669 7.958 -1.764 1.00 0.00 H new ATOM 424 N VAL A 31 5.311 8.084 -3.618 1.00 0.00 N ATOM 425 CA VAL A 31 6.169 9.260 -3.534 1.00 0.00 C ATOM 426 C VAL A 31 5.409 10.524 -3.918 1.00 0.00 C ATOM 427 O VAL A 31 4.699 10.553 -4.924 1.00 0.00 O ATOM 428 CB VAL A 31 7.404 9.120 -4.444 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.396 10.240 -4.174 1.00 0.00 C ATOM 430 CG2 VAL A 31 8.057 7.760 -4.250 1.00 0.00 C ATOM 0 H VAL A 31 5.095 7.787 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 31 6.497 9.338 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 31 7.080 9.197 -5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.262 10.124 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.921 11.202 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.718 10.198 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.928 7.678 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.369 7.651 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.343 6.975 -4.499 1.00 0.00 H new ATOM 440 N LEU A 32 5.562 11.568 -3.111 1.00 0.00 N ATOM 441 CA LEU A 32 4.890 12.837 -3.367 1.00 0.00 C ATOM 442 C LEU A 32 5.854 13.852 -3.973 1.00 0.00 C ATOM 443 O LEU A 32 7.031 13.895 -3.616 1.00 0.00 O ATOM 444 CB LEU A 32 4.296 13.392 -2.071 1.00 0.00 C ATOM 445 CG LEU A 32 3.227 12.530 -1.399 1.00 0.00 C ATOM 446 CD1 LEU A 32 3.238 12.743 0.107 1.00 0.00 C ATOM 447 CD2 LEU A 32 1.852 12.841 -1.973 1.00 0.00 C ATOM 0 H LEU A 32 6.145 11.561 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 32 4.086 12.656 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.108 13.548 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.865 14.371 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 32 3.454 11.483 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.471 12.121 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.215 12.469 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.037 13.791 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.104 12.218 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.616 13.892 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.850 12.636 -3.044 1.00 0.00 H new ATOM 459 N SER A 33 5.346 14.667 -4.892 1.00 0.00 N ATOM 460 CA SER A 33 6.162 15.681 -5.549 1.00 0.00 C ATOM 461 C SER A 33 6.975 16.471 -4.528 1.00 0.00 C ATOM 462 O SER A 33 8.201 16.544 -4.615 1.00 0.00 O ATOM 463 CB SER A 33 5.278 16.631 -6.360 1.00 0.00 C ATOM 464 OG SER A 33 6.061 17.477 -7.184 1.00 0.00 O ATOM 0 H SER A 33 4.373 14.645 -5.198 1.00 0.00 H new ATOM 0 HA SER A 33 6.853 15.175 -6.223 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.589 16.054 -6.977 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.672 17.235 -5.684 1.00 0.00 H new ATOM 0 HG SER A 33 5.473 18.073 -7.693 1.00 0.00 H new ATOM 470 N HIS A 34 6.282 17.062 -3.559 1.00 0.00 N ATOM 471 CA HIS A 34 6.938 17.847 -2.519 1.00 0.00 C ATOM 472 C HIS A 34 7.423 16.949 -1.385 1.00 0.00 C ATOM 473 O HIS A 34 6.622 16.316 -0.698 1.00 0.00 O ATOM 474 CB HIS A 34 5.982 18.908 -1.973 1.00 0.00 C ATOM 475 CG HIS A 34 6.679 20.104 -1.401 1.00 0.00 C ATOM 476 ND1 HIS A 34 7.325 20.087 -0.182 1.00 0.00 N ATOM 477 CD2 HIS A 34 6.831 21.357 -1.889 1.00 0.00 C ATOM 478 CE1 HIS A 34 7.842 21.280 0.055 1.00 0.00 C ATOM 479 NE2 HIS A 34 7.557 22.068 -0.965 1.00 0.00 N ATOM 0 H HIS A 34 5.267 17.012 -3.473 1.00 0.00 H new ATOM 0 HA HIS A 34 7.803 18.341 -2.962 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.318 19.233 -2.774 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.356 18.459 -1.202 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.452 21.729 -2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.402 21.562 0.934 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.831 23.046 -1.053 1.00 0.00 H new ATOM 547 N PRO A 40 0.781 13.875 8.276 1.00 0.00 N ATOM 548 CA PRO A 40 -0.129 12.799 8.680 1.00 0.00 C ATOM 549 C PRO A 40 -0.536 11.913 7.507 1.00 0.00 C ATOM 550 O PRO A 40 -1.163 12.378 6.555 1.00 0.00 O ATOM 551 CB PRO A 40 -1.344 13.549 9.230 1.00 0.00 C ATOM 552 CG PRO A 40 -1.314 14.873 8.547 1.00 0.00 C ATOM 553 CD PRO A 40 0.140 15.199 8.341 1.00 0.00 C ATOM 0 HA PRO A 40 0.333 12.123 9.400 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.269 13.014 9.016 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.283 13.661 10.313 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.844 14.833 7.595 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.803 15.636 9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.298 15.767 7.425 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.537 15.798 9.160 1.00 0.00 H new ATOM 561 N ALA A 41 -0.177 10.636 7.583 1.00 0.00 N ATOM 562 CA ALA A 41 -0.508 9.686 6.529 1.00 0.00 C ATOM 563 C ALA A 41 -1.482 8.625 7.031 1.00 0.00 C ATOM 564 O ALA A 41 -1.327 8.099 8.132 1.00 0.00 O ATOM 565 CB ALA A 41 0.757 9.031 5.992 1.00 0.00 C ATOM 0 H ALA A 41 0.343 10.236 8.364 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.993 10.233 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.495 8.324 5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.419 9.796 5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.265 8.504 6.800 1.00 0.00 H new ATOM 571 N MET A 42 -2.486 8.317 6.217 1.00 0.00 N ATOM 572 CA MET A 42 -3.485 7.319 6.579 1.00 0.00 C ATOM 573 C MET A 42 -3.646 6.283 5.471 1.00 0.00 C ATOM 574 O MET A 42 -4.219 6.570 4.420 1.00 0.00 O ATOM 575 CB MET A 42 -4.829 7.992 6.864 1.00 0.00 C ATOM 576 CG MET A 42 -5.911 7.022 7.312 1.00 0.00 C ATOM 577 SD MET A 42 -7.136 7.795 8.386 1.00 0.00 S ATOM 578 CE MET A 42 -8.537 7.909 7.276 1.00 0.00 C ATOM 0 H MET A 42 -2.629 8.744 5.302 1.00 0.00 H new ATOM 0 HA MET A 42 -3.143 6.810 7.480 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.690 8.750 7.635 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.165 8.509 5.965 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.411 6.611 6.435 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.449 6.186 7.837 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.377 8.368 7.797 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.269 8.518 6.413 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.819 6.910 6.942 1.00 0.00 H new ATOM 588 N TRP A 43 -3.137 5.081 5.713 1.00 0.00 N ATOM 589 CA TRP A 43 -3.225 4.003 4.734 1.00 0.00 C ATOM 590 C TRP A 43 -4.478 3.164 4.960 1.00 0.00 C ATOM 591 O TRP A 43 -4.840 2.863 6.098 1.00 0.00 O ATOM 592 CB TRP A 43 -1.981 3.116 4.809 1.00 0.00 C ATOM 593 CG TRP A 43 -0.743 3.784 4.292 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.127 4.561 5.002 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.239 3.735 2.952 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.142 4.998 4.185 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.940 4.504 2.923 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.668 3.114 1.776 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.692 4.669 1.763 1.00 0.00 C ATOM 600 CZ3 TRP A 43 0.079 3.279 0.625 1.00 0.00 C ATOM 601 CH2 TRP A 43 1.249 4.050 0.625 1.00 0.00 C ATOM 0 H TRP A 43 -2.659 4.828 6.578 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.284 4.450 3.742 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.818 2.817 5.845 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.159 2.204 4.238 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.031 4.797 6.051 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.919 5.593 4.471 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.567 2.516 1.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.593 5.264 1.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.245 2.806 -0.290 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.812 4.158 -0.290 1.00 0.00 H new ATOM 612 N THR A 44 -5.137 2.787 3.868 1.00 0.00 N ATOM 613 CA THR A 44 -6.349 1.982 3.948 1.00 0.00 C ATOM 614 C THR A 44 -6.337 0.865 2.911 1.00 0.00 C ATOM 615 O THR A 44 -6.378 1.120 1.707 1.00 0.00 O ATOM 616 CB THR A 44 -7.609 2.844 3.741 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.453 3.671 2.583 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.875 3.715 4.960 1.00 0.00 C ATOM 0 H THR A 44 -4.851 3.026 2.919 1.00 0.00 H new ATOM 0 HA THR A 44 -6.374 1.547 4.947 1.00 0.00 H new ATOM 0 HB THR A 44 -8.459 2.177 3.598 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.724 3.323 2.028 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.769 4.315 4.791 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.023 3.081 5.835 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.023 4.374 5.129 1.00 0.00 H new ATOM 626 N VAL A 45 -6.279 -0.376 3.385 1.00 0.00 N ATOM 627 CA VAL A 45 -6.263 -1.533 2.499 1.00 0.00 C ATOM 628 C VAL A 45 -7.449 -2.451 2.773 1.00 0.00 C ATOM 629 O VAL A 45 -7.560 -3.036 3.849 1.00 0.00 O ATOM 630 CB VAL A 45 -4.959 -2.338 2.651 1.00 0.00 C ATOM 631 CG1 VAL A 45 -4.734 -2.721 4.106 1.00 0.00 C ATOM 632 CG2 VAL A 45 -4.990 -3.574 1.765 1.00 0.00 C ATOM 0 H VAL A 45 -6.242 -0.605 4.378 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.330 -1.152 1.480 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.126 -1.711 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.808 -3.289 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.665 -1.818 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.568 -3.330 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.061 -4.131 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.831 -4.206 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.100 -3.272 0.723 1.00 0.00 H new ATOM 642 N GLY A 46 -8.335 -2.574 1.789 1.00 0.00 N ATOM 643 CA GLY A 46 -9.502 -3.423 1.943 1.00 0.00 C ATOM 644 C GLY A 46 -10.724 -2.652 2.399 1.00 0.00 C ATOM 645 O GLY A 46 -11.856 -3.045 2.118 1.00 0.00 O ATOM 0 H GLY A 46 -8.265 -2.101 0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.719 -3.913 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.282 -4.210 2.665 1.00 0.00 H new ATOM 649 N GLY A 47 -10.497 -1.550 3.107 1.00 0.00 N ATOM 650 CA GLY A 47 -11.598 -0.740 3.593 1.00 0.00 C ATOM 651 C GLY A 47 -11.545 -0.529 5.094 1.00 0.00 C ATOM 652 O GLY A 47 -12.578 -0.355 5.741 1.00 0.00 O ATOM 0 H GLY A 47 -9.570 -1.204 3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.581 0.228 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.541 -1.219 3.330 1.00 0.00 H new ATOM 656 N LYS A 48 -10.338 -0.547 5.649 1.00 0.00 N ATOM 657 CA LYS A 48 -10.153 -0.357 7.083 1.00 0.00 C ATOM 658 C LYS A 48 -8.960 0.552 7.362 1.00 0.00 C ATOM 659 O LYS A 48 -8.188 0.875 6.459 1.00 0.00 O ATOM 660 CB LYS A 48 -9.952 -1.707 7.775 1.00 0.00 C ATOM 661 CG LYS A 48 -11.180 -2.601 7.734 1.00 0.00 C ATOM 662 CD LYS A 48 -12.259 -2.110 8.685 1.00 0.00 C ATOM 663 CE LYS A 48 -12.096 -2.713 10.072 1.00 0.00 C ATOM 664 NZ LYS A 48 -11.192 -1.897 10.928 1.00 0.00 N ATOM 0 H LYS A 48 -9.473 -0.691 5.128 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.050 0.118 7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.118 -2.227 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.673 -1.535 8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.575 -2.632 6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.898 -3.620 7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.219 -1.023 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.241 -2.368 8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.072 -2.795 10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.698 -3.724 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.544 -1.900 11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.233 -2.300 10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.166 -0.920 10.573 1.00 0.00 H new ATOM 678 N THR A 49 -8.814 0.960 8.619 1.00 0.00 N ATOM 679 CA THR A 49 -7.715 1.831 9.016 1.00 0.00 C ATOM 680 C THR A 49 -6.566 1.028 9.616 1.00 0.00 C ATOM 681 O THR A 49 -6.660 0.537 10.741 1.00 0.00 O ATOM 682 CB THR A 49 -8.176 2.887 10.038 1.00 0.00 C ATOM 683 OG1 THR A 49 -9.283 3.628 9.511 1.00 0.00 O ATOM 684 CG2 THR A 49 -7.041 3.838 10.383 1.00 0.00 C ATOM 0 H THR A 49 -9.443 0.701 9.379 1.00 0.00 H new ATOM 0 HA THR A 49 -7.370 2.336 8.113 1.00 0.00 H new ATOM 0 HB THR A 49 -8.485 2.371 10.947 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.571 4.296 10.167 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.391 4.575 11.106 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.212 3.275 10.811 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.706 4.347 9.480 1.00 0.00 H new ATOM 692 N VAL A 50 -5.482 0.898 8.858 1.00 0.00 N ATOM 693 CA VAL A 50 -4.313 0.155 9.316 1.00 0.00 C ATOM 694 C VAL A 50 -3.218 1.099 9.800 1.00 0.00 C ATOM 695 O VAL A 50 -3.311 2.314 9.631 1.00 0.00 O ATOM 696 CB VAL A 50 -3.746 -0.743 8.200 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.847 -1.598 7.592 1.00 0.00 C ATOM 698 CG2 VAL A 50 -3.063 0.101 7.134 1.00 0.00 C ATOM 0 H VAL A 50 -5.389 1.297 7.924 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.641 -0.472 10.145 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.001 -1.409 8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.428 -2.226 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.286 -2.229 8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.617 -0.953 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.668 -0.549 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.785 0.793 6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.246 0.665 7.584 1.00 0.00 H new ATOM 772 N PHE A 56 0.151 -4.899 8.904 1.00 0.00 N ATOM 773 CA PHE A 56 0.489 -3.772 8.043 1.00 0.00 C ATOM 774 C PHE A 56 1.296 -2.727 8.807 1.00 0.00 C ATOM 775 O PHE A 56 0.817 -2.149 9.782 1.00 0.00 O ATOM 776 CB PHE A 56 -0.783 -3.136 7.476 1.00 0.00 C ATOM 777 CG PHE A 56 -1.803 -4.140 7.020 1.00 0.00 C ATOM 778 CD1 PHE A 56 -2.645 -4.755 7.932 1.00 0.00 C ATOM 779 CD2 PHE A 56 -1.919 -4.468 5.679 1.00 0.00 C ATOM 780 CE1 PHE A 56 -3.585 -5.678 7.516 1.00 0.00 C ATOM 781 CE2 PHE A 56 -2.858 -5.391 5.257 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.691 -5.998 6.176 1.00 0.00 C ATOM 0 HA PHE A 56 1.098 -4.146 7.220 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.230 -2.496 8.237 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.516 -2.494 6.636 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.566 -4.510 8.981 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.269 -3.998 4.956 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.236 -6.149 8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.940 -5.637 4.209 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.423 -6.721 5.848 1.00 0.00 H new ATOM 792 N GLN A 57 2.524 -2.491 8.357 1.00 0.00 N ATOM 793 CA GLN A 57 3.399 -1.517 8.998 1.00 0.00 C ATOM 794 C GLN A 57 3.762 -0.393 8.034 1.00 0.00 C ATOM 795 O GLN A 57 4.568 -0.579 7.124 1.00 0.00 O ATOM 796 CB GLN A 57 4.671 -2.200 9.507 1.00 0.00 C ATOM 797 CG GLN A 57 5.640 -1.248 10.190 1.00 0.00 C ATOM 798 CD GLN A 57 5.105 -0.713 11.503 1.00 0.00 C ATOM 799 OE1 GLN A 57 4.356 0.263 11.530 1.00 0.00 O ATOM 800 NE2 GLN A 57 5.488 -1.353 12.603 1.00 0.00 N ATOM 0 H GLN A 57 2.935 -2.961 7.551 1.00 0.00 H new ATOM 0 HA GLN A 57 2.863 -1.086 9.844 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.395 -2.989 10.207 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.176 -2.680 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.584 -1.763 10.370 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.855 -0.413 9.523 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.110 -2.158 12.534 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.160 -1.039 13.516 1.00 0.00 H new ATOM 809 N ALA A 58 3.161 0.774 8.241 1.00 0.00 N ATOM 810 CA ALA A 58 3.422 1.929 7.391 1.00 0.00 C ATOM 811 C ALA A 58 4.733 2.607 7.774 1.00 0.00 C ATOM 812 O ALA A 58 4.819 3.283 8.799 1.00 0.00 O ATOM 813 CB ALA A 58 2.270 2.919 7.477 1.00 0.00 C ATOM 0 H ALA A 58 2.490 0.945 8.990 1.00 0.00 H new ATOM 0 HA ALA A 58 3.510 1.579 6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.479 3.776 6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.350 2.436 7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.155 3.255 8.508 1.00 0.00 H new ATOM 819 N THR A 59 5.755 2.421 6.943 1.00 0.00 N ATOM 820 CA THR A 59 7.063 3.012 7.195 1.00 0.00 C ATOM 821 C THR A 59 7.273 4.263 6.349 1.00 0.00 C ATOM 822 O THR A 59 6.996 4.266 5.150 1.00 0.00 O ATOM 823 CB THR A 59 8.197 2.012 6.904 1.00 0.00 C ATOM 824 OG1 THR A 59 8.115 1.559 5.548 1.00 0.00 O ATOM 825 CG2 THR A 59 8.124 0.821 7.847 1.00 0.00 C ATOM 0 H THR A 59 5.701 1.865 6.089 1.00 0.00 H new ATOM 0 HA THR A 59 7.090 3.282 8.251 1.00 0.00 H new ATOM 0 HB THR A 59 9.148 2.521 7.060 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.841 0.925 5.371 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.935 0.129 7.622 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.217 1.166 8.877 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.168 0.314 7.719 1.00 0.00 H new ATOM 833 N ARG A 60 7.765 5.323 6.981 1.00 0.00 N ATOM 834 CA ARG A 60 8.012 6.581 6.285 1.00 0.00 C ATOM 835 C ARG A 60 9.504 6.779 6.034 1.00 0.00 C ATOM 836 O ARG A 60 10.264 7.073 6.955 1.00 0.00 O ATOM 837 CB ARG A 60 7.460 7.754 7.097 1.00 0.00 C ATOM 838 CG ARG A 60 7.611 9.098 6.404 1.00 0.00 C ATOM 839 CD ARG A 60 7.695 10.237 7.408 1.00 0.00 C ATOM 840 NE ARG A 60 8.883 10.137 8.251 1.00 0.00 N ATOM 841 CZ ARG A 60 10.116 10.361 7.813 1.00 0.00 C ATOM 842 NH1 ARG A 60 10.322 10.697 6.546 1.00 0.00 N ATOM 843 NH2 ARG A 60 11.147 10.250 8.641 1.00 0.00 N ATOM 0 H ARG A 60 8.001 5.336 7.973 1.00 0.00 H new ATOM 0 HA ARG A 60 7.501 6.542 5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.404 7.577 7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.971 7.791 8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.508 9.090 5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.765 9.262 5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.707 11.189 6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.804 10.233 8.036 1.00 0.00 H new ATOM 0 HE ARG A 60 8.759 9.881 9.230 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.532 10.784 5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.270 10.869 6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.993 9.992 9.616 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.094 10.422 8.303 1.00 0.00 H new ATOM 857 N GLN A 61 9.914 6.615 4.780 1.00 0.00 N ATOM 858 CA GLN A 61 11.315 6.774 4.408 1.00 0.00 C ATOM 859 C GLN A 61 11.520 8.047 3.594 1.00 0.00 C ATOM 860 O GLN A 61 11.059 8.150 2.458 1.00 0.00 O ATOM 861 CB GLN A 61 11.794 5.561 3.609 1.00 0.00 C ATOM 862 CG GLN A 61 13.291 5.320 3.709 1.00 0.00 C ATOM 863 CD GLN A 61 14.105 6.441 3.093 1.00 0.00 C ATOM 864 OE1 GLN A 61 14.017 6.701 1.893 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.903 7.113 3.914 1.00 0.00 N ATOM 0 H GLN A 61 9.296 6.372 4.005 1.00 0.00 H new ATOM 0 HA GLN A 61 11.901 6.851 5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.267 4.674 3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.525 5.697 2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.568 5.209 4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.538 4.382 3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.945 6.864 4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.474 7.879 3.557 1.00 0.00 H new ATOM 874 N GLY A 62 12.215 9.016 4.183 1.00 0.00 N ATOM 875 CA GLY A 62 12.469 10.269 3.498 1.00 0.00 C ATOM 876 C GLY A 62 11.227 10.826 2.830 1.00 0.00 C ATOM 877 O GLY A 62 10.253 11.168 3.501 1.00 0.00 O ATOM 0 H GLY A 62 12.607 8.955 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.852 10.998 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.245 10.119 2.748 1.00 0.00 H new ATOM 881 N ARG A 63 11.262 10.920 1.505 1.00 0.00 N ATOM 882 CA ARG A 63 10.131 11.443 0.746 1.00 0.00 C ATOM 883 C ARG A 63 9.371 10.314 0.057 1.00 0.00 C ATOM 884 O ARG A 63 8.853 10.483 -1.047 1.00 0.00 O ATOM 885 CB ARG A 63 10.613 12.457 -0.293 1.00 0.00 C ATOM 886 CG ARG A 63 11.637 11.893 -1.265 1.00 0.00 C ATOM 887 CD ARG A 63 11.569 12.593 -2.614 1.00 0.00 C ATOM 888 NE ARG A 63 12.775 12.370 -3.407 1.00 0.00 N ATOM 889 CZ ARG A 63 13.035 11.235 -4.046 1.00 0.00 C ATOM 890 NH1 ARG A 63 12.178 10.225 -3.986 1.00 0.00 N ATOM 891 NH2 ARG A 63 14.154 11.109 -4.748 1.00 0.00 N ATOM 0 H ARG A 63 12.060 10.641 0.935 1.00 0.00 H new ATOM 0 HA ARG A 63 9.456 11.940 1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.755 12.824 -0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.047 13.314 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.637 12.004 -0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.464 10.825 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.701 12.233 -3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.429 13.663 -2.461 1.00 0.00 H new ATOM 0 HE ARG A 63 13.455 13.127 -3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.316 10.318 -3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.380 9.355 -4.478 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.815 11.884 -4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 63 14.353 10.237 -5.238 1.00 0.00 H new ATOM 905 N LYS A 64 9.307 9.162 0.716 1.00 0.00 N ATOM 906 CA LYS A 64 8.609 8.005 0.169 1.00 0.00 C ATOM 907 C LYS A 64 7.939 7.199 1.277 1.00 0.00 C ATOM 908 O LYS A 64 8.533 6.958 2.329 1.00 0.00 O ATOM 909 CB LYS A 64 9.584 7.114 -0.605 1.00 0.00 C ATOM 910 CG LYS A 64 8.958 5.830 -1.119 1.00 0.00 C ATOM 911 CD LYS A 64 10.016 4.813 -1.514 1.00 0.00 C ATOM 912 CE LYS A 64 10.751 5.236 -2.777 1.00 0.00 C ATOM 913 NZ LYS A 64 10.074 4.738 -4.006 1.00 0.00 N ATOM 0 H LYS A 64 9.731 9.005 1.630 1.00 0.00 H new ATOM 0 HA LYS A 64 7.837 8.366 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.985 7.676 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.426 6.865 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.313 5.405 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.326 6.051 -1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.730 4.694 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.548 3.842 -1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.815 6.324 -2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.773 4.858 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.606 5.047 -4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.035 3.699 -3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.107 5.119 -4.049 1.00 0.00 H new ATOM 927 N TYR A 65 6.701 6.784 1.035 1.00 0.00 N ATOM 928 CA TYR A 65 5.950 6.006 2.013 1.00 0.00 C ATOM 929 C TYR A 65 5.833 4.549 1.577 1.00 0.00 C ATOM 930 O TYR A 65 5.406 4.257 0.459 1.00 0.00 O ATOM 931 CB TYR A 65 4.556 6.605 2.211 1.00 0.00 C ATOM 932 CG TYR A 65 4.576 8.036 2.697 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.711 9.092 1.804 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.460 8.334 4.049 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.730 10.402 2.243 1.00 0.00 C ATOM 936 CE2 TYR A 65 4.477 9.640 4.498 1.00 0.00 C ATOM 937 CZ TYR A 65 4.612 10.671 3.591 1.00 0.00 C ATOM 938 OH TYR A 65 4.630 11.974 4.033 1.00 0.00 O ATOM 0 H TYR A 65 6.196 6.973 0.169 1.00 0.00 H new ATOM 0 HA TYR A 65 6.490 6.040 2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.012 6.558 1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.006 5.995 2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.803 8.885 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.355 7.530 4.762 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.837 11.211 1.535 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.385 9.853 5.553 1.00 0.00 H new ATOM 0 HH TYR A 65 4.535 11.990 5.008 1.00 0.00 H new ATOM 948 N ILE A 66 6.214 3.639 2.467 1.00 0.00 N ATOM 949 CA ILE A 66 6.150 2.212 2.175 1.00 0.00 C ATOM 950 C ILE A 66 5.192 1.500 3.123 1.00 0.00 C ATOM 951 O ILE A 66 5.386 1.507 4.340 1.00 0.00 O ATOM 952 CB ILE A 66 7.539 1.555 2.276 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.525 2.247 1.332 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.446 0.070 1.957 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.213 3.444 1.950 1.00 0.00 C ATOM 0 H ILE A 66 6.570 3.864 3.396 1.00 0.00 H new ATOM 0 HA ILE A 66 5.785 2.114 1.153 1.00 0.00 H new ATOM 0 HB ILE A 66 7.904 1.666 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.280 1.527 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.994 2.566 0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.435 -0.381 2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.772 -0.413 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.064 -0.061 0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.897 3.885 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.466 4.183 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.772 3.128 2.831 1.00 0.00 H new ATOM 967 N LEU A 67 4.160 0.883 2.559 1.00 0.00 N ATOM 968 CA LEU A 67 3.172 0.162 3.355 1.00 0.00 C ATOM 969 C LEU A 67 3.385 -1.345 3.254 1.00 0.00 C ATOM 970 O LEU A 67 2.827 -2.004 2.377 1.00 0.00 O ATOM 971 CB LEU A 67 1.758 0.520 2.894 1.00 0.00 C ATOM 972 CG LEU A 67 0.626 -0.320 3.485 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.258 0.181 4.873 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.589 -0.299 2.569 1.00 0.00 C ATOM 0 H LEU A 67 3.985 0.867 1.554 1.00 0.00 H new ATOM 0 HA LEU A 67 3.295 0.459 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.572 1.566 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.719 0.433 1.808 1.00 0.00 H new ATOM 0 HG LEU A 67 0.972 -1.350 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.550 -0.429 5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.127 0.112 5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.068 1.219 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.385 -0.902 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.936 0.727 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.318 -0.707 1.595 1.00 0.00 H new ATOM 986 N VAL A 68 4.195 -1.885 4.159 1.00 0.00 N ATOM 987 CA VAL A 68 4.480 -3.314 4.174 1.00 0.00 C ATOM 988 C VAL A 68 3.237 -4.118 4.538 1.00 0.00 C ATOM 989 O VAL A 68 2.785 -4.097 5.683 1.00 0.00 O ATOM 990 CB VAL A 68 5.607 -3.652 5.168 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.914 -5.142 5.143 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.853 -2.837 4.858 1.00 0.00 C ATOM 0 H VAL A 68 4.665 -1.354 4.892 1.00 0.00 H new ATOM 0 HA VAL A 68 4.802 -3.583 3.168 1.00 0.00 H new ATOM 0 HB VAL A 68 5.271 -3.392 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.713 -5.361 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.021 -5.702 5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.229 -5.432 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.639 -3.089 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.193 -3.063 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.621 -1.775 4.934 1.00 0.00 H new ATOM 1002 N VAL A 69 2.689 -4.828 3.557 1.00 0.00 N ATOM 1003 CA VAL A 69 1.499 -5.641 3.775 1.00 0.00 C ATOM 1004 C VAL A 69 1.867 -7.101 4.018 1.00 0.00 C ATOM 1005 O VAL A 69 2.099 -7.858 3.076 1.00 0.00 O ATOM 1006 CB VAL A 69 0.536 -5.560 2.575 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.645 -6.497 2.773 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.063 -4.128 2.369 1.00 0.00 C ATOM 0 H VAL A 69 3.050 -4.856 2.604 1.00 0.00 H new ATOM 0 HA VAL A 69 1.002 -5.242 4.659 1.00 0.00 H new ATOM 0 HB VAL A 69 1.071 -5.875 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.314 -6.426 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.285 -7.521 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.184 -6.217 3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.616 -4.088 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.456 -3.784 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.922 -3.485 2.178 1.00 0.00 H new ATOM 1018 N ARG A 70 1.918 -7.489 5.288 1.00 0.00 N ATOM 1019 CA ARG A 70 2.259 -8.858 5.656 1.00 0.00 C ATOM 1020 C ARG A 70 1.045 -9.774 5.525 1.00 0.00 C ATOM 1021 O ARG A 70 1.138 -10.978 5.759 1.00 0.00 O ATOM 1022 CB ARG A 70 2.795 -8.905 7.088 1.00 0.00 C ATOM 1023 CG ARG A 70 3.836 -7.838 7.384 1.00 0.00 C ATOM 1024 CD ARG A 70 3.197 -6.572 7.932 1.00 0.00 C ATOM 1025 NE ARG A 70 4.085 -5.862 8.848 1.00 0.00 N ATOM 1026 CZ ARG A 70 4.277 -6.222 10.112 1.00 0.00 C ATOM 1027 NH1 ARG A 70 3.646 -7.278 10.608 1.00 0.00 N ATOM 1028 NH2 ARG A 70 5.101 -5.526 10.884 1.00 0.00 N ATOM 0 H ARG A 70 1.727 -6.875 6.080 1.00 0.00 H new ATOM 0 HA ARG A 70 3.033 -9.209 4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.963 -8.791 7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.231 -9.887 7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.558 -8.223 8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.387 -7.604 6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.929 -5.914 7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.272 -6.828 8.449 1.00 0.00 H new ATOM 0 HE ARG A 70 4.585 -5.045 8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.011 -7.816 10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.796 -7.552 11.579 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.588 -4.713 10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.247 -5.804 11.854 1.00 0.00 H new ATOM 1042 N GLU A 71 -0.090 -9.193 5.151 1.00 0.00 N ATOM 1043 CA GLU A 71 -1.322 -9.958 4.991 1.00 0.00 C ATOM 1044 C GLU A 71 -1.874 -9.810 3.576 1.00 0.00 C ATOM 1045 O GLU A 71 -2.450 -8.780 3.228 1.00 0.00 O ATOM 1046 CB GLU A 71 -2.368 -9.501 6.009 1.00 0.00 C ATOM 1047 CG GLU A 71 -3.792 -9.869 5.626 1.00 0.00 C ATOM 1048 CD GLU A 71 -4.067 -11.354 5.764 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -3.222 -12.157 5.318 1.00 0.00 O ATOM 1050 OE2 GLU A 71 -5.127 -11.712 6.318 1.00 0.00 O ATOM 0 H GLU A 71 -0.183 -8.197 4.953 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.092 -11.009 5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.136 -9.942 6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.300 -8.419 6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.488 -9.314 6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.978 -9.563 4.597 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.693 -10.847 2.765 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.174 -10.834 1.389 1.00 0.00 C ATOM 1059 C ALA A 72 -3.194 -11.942 1.153 1.00 0.00 C ATOM 1060 O ALA A 72 -2.845 -13.037 0.715 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.008 -10.972 0.421 1.00 0.00 C ATOM 0 H ALA A 72 -1.217 -11.707 3.037 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.668 -9.878 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.382 -10.961 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.316 -10.142 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.490 -11.912 0.608 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.457 -11.650 1.447 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.528 -12.621 1.266 1.00 0.00 C ATOM 1069 C ALA A 73 -6.341 -12.316 0.012 1.00 0.00 C ATOM 1070 O ALA A 73 -6.384 -11.183 -0.467 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.432 -12.645 2.490 1.00 0.00 C ATOM 0 H ALA A 73 -4.763 -10.748 1.812 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.075 -13.605 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.228 -13.375 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.848 -12.920 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.869 -11.658 2.639 1.00 0.00 H new ATOM 1077 N PRO A 74 -6.999 -13.349 -0.533 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.822 -13.215 -1.739 1.00 0.00 C ATOM 1079 C PRO A 74 -9.093 -12.411 -1.487 1.00 0.00 C ATOM 1080 O PRO A 74 -9.871 -12.157 -2.407 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.168 -14.663 -2.096 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.079 -15.402 -0.805 1.00 0.00 C ATOM 1083 CD PRO A 74 -6.992 -14.727 -0.015 1.00 0.00 C ATOM 0 HA PRO A 74 -7.299 -12.680 -2.531 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.167 -14.737 -2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.473 -15.066 -2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.028 -15.369 -0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.844 -16.453 -0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.197 -14.755 1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.026 -15.209 -0.168 1.00 0.00 H new ATOM 1091 N SER A 75 -9.297 -12.011 -0.236 1.00 0.00 N ATOM 1092 CA SER A 75 -10.476 -11.238 0.137 1.00 0.00 C ATOM 1093 C SER A 75 -10.137 -9.756 0.260 1.00 0.00 C ATOM 1094 O SER A 75 -10.914 -8.894 -0.151 1.00 0.00 O ATOM 1095 CB SER A 75 -11.052 -11.752 1.458 1.00 0.00 C ATOM 1096 OG SER A 75 -10.052 -11.817 2.460 1.00 0.00 O ATOM 0 H SER A 75 -8.661 -12.209 0.536 1.00 0.00 H new ATOM 0 HA SER A 75 -11.222 -11.359 -0.648 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.858 -11.096 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.486 -12.741 1.309 1.00 0.00 H new ATOM 0 HG SER A 75 -10.446 -12.147 3.295 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.971 -9.467 0.828 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.527 -8.089 1.004 1.00 0.00 C ATOM 1104 C ASP A 76 -8.343 -7.401 -0.345 1.00 0.00 C ATOM 1105 O ASP A 76 -8.590 -6.203 -0.480 1.00 0.00 O ATOM 1106 CB ASP A 76 -7.218 -8.050 1.794 1.00 0.00 C ATOM 1107 CG ASP A 76 -7.362 -8.641 3.183 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -8.254 -9.492 3.376 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.582 -8.250 4.077 1.00 0.00 O ATOM 0 H ASP A 76 -8.316 -10.168 1.174 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.295 -7.554 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.451 -8.598 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.877 -7.018 1.875 1.00 0.00 H new ATOM 1114 N ALA A 77 -7.906 -8.166 -1.339 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.690 -7.630 -2.677 1.00 0.00 C ATOM 1116 C ALA A 77 -8.937 -6.919 -3.192 1.00 0.00 C ATOM 1117 O ALA A 77 -10.009 -7.515 -3.287 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.282 -8.743 -3.632 1.00 0.00 C ATOM 0 H ALA A 77 -7.694 -9.159 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.883 -6.899 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.124 -8.328 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.359 -9.204 -3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.070 -9.495 -3.673 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.789 -5.640 -3.524 1.00 0.00 N ATOM 1125 CA GLY A 78 -9.912 -4.869 -4.024 1.00 0.00 C ATOM 1126 C GLY A 78 -9.518 -3.458 -4.413 1.00 0.00 C ATOM 1127 O GLY A 78 -9.591 -3.088 -5.585 1.00 0.00 O ATOM 0 H GLY A 78 -7.912 -5.124 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.340 -5.375 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.690 -4.829 -3.261 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.103 -2.668 -3.428 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.699 -1.288 -3.675 1.00 0.00 C ATOM 1133 C GLU A 79 -7.859 -0.752 -2.519 1.00 0.00 C ATOM 1134 O GLU A 79 -8.134 -1.036 -1.353 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.930 -0.402 -3.879 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.632 0.891 -4.620 1.00 0.00 C ATOM 1137 CD GLU A 79 -9.691 0.726 -6.127 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -9.093 -0.241 -6.642 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -10.336 1.566 -6.790 1.00 0.00 O ATOM 0 H GLU A 79 -9.038 -2.959 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.093 -1.270 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.683 -0.963 -4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.361 -0.163 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.347 1.654 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.642 1.249 -4.336 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.832 0.024 -2.851 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.952 0.601 -1.843 1.00 0.00 C ATOM 1148 C VAL A 80 -5.985 2.124 -1.890 1.00 0.00 C ATOM 1149 O VAL A 80 -5.453 2.739 -2.814 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.499 0.124 -2.027 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.586 0.786 -1.007 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.419 -1.392 -1.922 1.00 0.00 C ATOM 0 H VAL A 80 -6.589 0.267 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.318 0.263 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.163 0.415 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.564 0.437 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.621 1.868 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.917 0.529 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.385 -1.712 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.774 -1.708 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.040 -1.844 -2.695 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.614 2.729 -0.887 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.716 4.181 -0.813 1.00 0.00 C ATOM 1164 C VAL A 81 -5.681 4.756 0.148 1.00 0.00 C ATOM 1165 O VAL A 81 -5.478 4.234 1.244 1.00 0.00 O ATOM 1166 CB VAL A 81 -8.121 4.623 -0.363 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -8.158 6.126 -0.129 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -9.164 4.209 -1.389 1.00 0.00 C ATOM 0 H VAL A 81 -7.061 2.235 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.528 4.563 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.355 4.127 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.158 6.420 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.439 6.391 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.903 6.645 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.151 4.529 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.937 4.675 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.153 3.125 -1.501 1.00 0.00 H new ATOM 1178 N PHE A 82 -5.029 5.836 -0.270 1.00 0.00 N ATOM 1179 CA PHE A 82 -4.014 6.483 0.553 1.00 0.00 C ATOM 1180 C PHE A 82 -4.168 8.000 0.514 1.00 0.00 C ATOM 1181 O PHE A 82 -3.974 8.628 -0.528 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.614 6.088 0.078 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.554 7.088 0.442 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -1.121 7.213 1.752 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.990 7.903 -0.527 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.145 8.132 2.090 1.00 0.00 C ATOM 1187 CE2 PHE A 82 -0.014 8.823 -0.195 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.408 8.939 1.115 1.00 0.00 C ATOM 0 H PHE A 82 -5.186 6.282 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.149 6.149 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.353 5.121 0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.628 5.963 -1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.551 6.585 2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.317 7.818 -1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.185 8.219 3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.419 9.451 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.169 9.659 1.376 1.00 0.00 H new ATOM 1198 N SER A 83 -4.518 8.584 1.655 1.00 0.00 N ATOM 1199 CA SER A 83 -4.702 10.027 1.751 1.00 0.00 C ATOM 1200 C SER A 83 -3.472 10.693 2.361 1.00 0.00 C ATOM 1201 O SER A 83 -2.900 10.197 3.331 1.00 0.00 O ATOM 1202 CB SER A 83 -5.940 10.350 2.591 1.00 0.00 C ATOM 1203 OG SER A 83 -6.080 11.748 2.776 1.00 0.00 O ATOM 0 H SER A 83 -4.680 8.080 2.527 1.00 0.00 H new ATOM 0 HA SER A 83 -4.843 10.418 0.743 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.829 9.954 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.864 9.857 3.560 1.00 0.00 H new ATOM 0 HG SER A 83 -6.879 11.928 3.314 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.070 11.820 1.783 1.00 0.00 N ATOM 1210 CA VAL A 84 -1.908 12.556 2.268 1.00 0.00 C ATOM 1211 C VAL A 84 -1.852 13.955 1.665 1.00 0.00 C ATOM 1212 O VAL A 84 -1.888 14.117 0.445 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.598 11.815 1.942 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.336 11.827 0.444 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.566 12.433 2.701 1.00 0.00 C ATOM 0 H VAL A 84 -3.532 12.244 0.978 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.012 12.634 3.350 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.699 10.777 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.594 11.299 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.159 11.334 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.255 12.857 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.484 11.897 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.671 13.480 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.378 12.366 3.773 1.00 0.00 H new ATOM 1225 N ARG A 85 -1.763 14.962 2.527 1.00 0.00 N ATOM 1226 CA ARG A 85 -1.703 16.348 2.079 1.00 0.00 C ATOM 1227 C ARG A 85 -2.967 16.728 1.312 1.00 0.00 C ATOM 1228 O ARG A 85 -2.943 17.607 0.452 1.00 0.00 O ATOM 1229 CB ARG A 85 -0.473 16.568 1.196 1.00 0.00 C ATOM 1230 CG ARG A 85 0.831 16.146 1.852 1.00 0.00 C ATOM 1231 CD ARG A 85 2.002 16.975 1.349 1.00 0.00 C ATOM 1232 NE ARG A 85 1.884 18.379 1.735 1.00 0.00 N ATOM 1233 CZ ARG A 85 2.879 19.254 1.638 1.00 0.00 C ATOM 1234 NH1 ARG A 85 4.059 18.872 1.171 1.00 0.00 N ATOM 1235 NH2 ARG A 85 2.694 20.515 2.009 1.00 0.00 N ATOM 0 H ARG A 85 -1.731 14.844 3.540 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.629 16.985 2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.599 16.012 0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.411 17.623 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.746 16.253 2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.017 15.091 1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.932 16.567 1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.059 16.901 0.263 1.00 0.00 H new ATOM 0 HE ARG A 85 0.989 18.705 2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.205 17.904 0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.821 19.546 1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.787 20.813 2.369 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.459 21.186 1.934 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.070 16.056 1.630 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.327 16.337 0.962 1.00 0.00 C ATOM 1251 C GLY A 86 -5.537 15.472 -0.265 1.00 0.00 C ATOM 1252 O GLY A 86 -6.673 15.176 -0.638 1.00 0.00 O ATOM 0 H GLY A 86 -4.115 15.323 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.149 16.178 1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.354 17.387 0.671 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.440 15.068 -0.896 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.509 14.233 -2.091 1.00 0.00 C ATOM 1258 C LEU A 87 -4.684 12.764 -1.719 1.00 0.00 C ATOM 1259 O LEU A 87 -3.995 12.248 -0.838 1.00 0.00 O ATOM 1260 CB LEU A 87 -3.245 14.410 -2.934 1.00 0.00 C ATOM 1261 CG LEU A 87 -3.001 15.813 -3.491 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -1.517 16.041 -3.732 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -3.790 16.022 -4.776 1.00 0.00 C ATOM 0 H LEU A 87 -3.493 15.305 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.375 14.547 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.385 14.127 -2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.289 13.712 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.345 16.540 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.363 17.045 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.975 15.935 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.148 15.307 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.604 17.026 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.477 15.288 -5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.854 15.902 -4.573 1.00 0.00 H new ATOM 1275 N THR A 88 -5.609 12.093 -2.398 1.00 0.00 N ATOM 1276 CA THR A 88 -5.875 10.684 -2.141 1.00 0.00 C ATOM 1277 C THR A 88 -5.565 9.833 -3.367 1.00 0.00 C ATOM 1278 O THR A 88 -5.849 10.229 -4.497 1.00 0.00 O ATOM 1279 CB THR A 88 -7.341 10.454 -1.728 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.594 11.066 -0.459 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.655 8.968 -1.651 1.00 0.00 C ATOM 0 H THR A 88 -6.187 12.504 -3.131 1.00 0.00 H new ATOM 0 HA THR A 88 -5.223 10.385 -1.320 1.00 0.00 H new ATOM 0 HB THR A 88 -7.983 10.906 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.528 10.917 -0.204 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.696 8.831 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.490 8.510 -2.626 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.005 8.496 -0.914 1.00 0.00 H new ATOM 1289 N SER A 89 -4.981 8.661 -3.137 1.00 0.00 N ATOM 1290 CA SER A 89 -4.629 7.755 -4.224 1.00 0.00 C ATOM 1291 C SER A 89 -5.527 6.521 -4.214 1.00 0.00 C ATOM 1292 O SER A 89 -6.191 6.230 -3.220 1.00 0.00 O ATOM 1293 CB SER A 89 -3.163 7.334 -4.111 1.00 0.00 C ATOM 1294 OG SER A 89 -2.307 8.310 -4.680 1.00 0.00 O ATOM 0 H SER A 89 -4.742 8.317 -2.207 1.00 0.00 H new ATOM 0 HA SER A 89 -4.776 8.283 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.904 7.185 -3.063 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.016 6.379 -4.615 1.00 0.00 H new ATOM 0 HG SER A 89 -1.375 8.018 -4.594 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.541 5.800 -5.330 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.355 4.596 -5.452 1.00 0.00 C ATOM 1302 C LYS A 90 -5.713 3.601 -6.414 1.00 0.00 C ATOM 1303 O LYS A 90 -5.290 3.967 -7.510 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.762 4.954 -5.936 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.521 5.859 -4.981 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.876 6.253 -5.545 1.00 0.00 C ATOM 1307 CE LYS A 90 -10.528 7.348 -4.716 1.00 0.00 C ATOM 1308 NZ LYS A 90 -9.750 8.617 -4.764 1.00 0.00 N ATOM 0 H LYS A 90 -4.998 6.028 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.423 4.132 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.690 5.444 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.331 4.036 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.657 5.350 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.933 6.756 -4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.758 6.595 -6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.528 5.380 -5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.539 7.528 -5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.618 7.016 -3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.398 9.416 -4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.241 8.746 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.066 8.576 -5.546 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.645 2.341 -5.997 1.00 0.00 N ATOM 1323 CA ALA A 91 -5.059 1.293 -6.823 1.00 0.00 C ATOM 1324 C ALA A 91 -5.844 -0.008 -6.698 1.00 0.00 C ATOM 1325 O ALA A 91 -6.802 -0.095 -5.931 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.603 1.072 -6.439 1.00 0.00 C ATOM 0 H ALA A 91 -5.989 2.021 -5.091 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.105 1.616 -7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.177 0.287 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.044 1.996 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.544 0.775 -5.392 1.00 0.00 H new ATOM 1332 N SER A 92 -5.432 -1.018 -7.459 1.00 0.00 N ATOM 1333 CA SER A 92 -6.100 -2.314 -7.437 1.00 0.00 C ATOM 1334 C SER A 92 -5.133 -3.417 -7.018 1.00 0.00 C ATOM 1335 O SER A 92 -4.098 -3.625 -7.653 1.00 0.00 O ATOM 1336 CB SER A 92 -6.689 -2.631 -8.813 1.00 0.00 C ATOM 1337 OG SER A 92 -7.860 -1.871 -9.054 1.00 0.00 O ATOM 0 H SER A 92 -4.639 -0.963 -8.098 1.00 0.00 H new ATOM 0 HA SER A 92 -6.907 -2.267 -6.706 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.950 -2.420 -9.586 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.922 -3.694 -8.876 1.00 0.00 H new ATOM 0 HG SER A 92 -8.134 -1.421 -8.228 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.477 -4.121 -5.946 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.640 -5.204 -5.440 1.00 0.00 C ATOM 1345 C LEU A 93 -5.141 -6.556 -5.937 1.00 0.00 C ATOM 1346 O LEU A 93 -6.347 -6.805 -5.979 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.617 -5.185 -3.911 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.924 -6.370 -3.236 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.444 -6.392 -3.584 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -4.118 -6.313 -1.728 1.00 0.00 C ATOM 0 H LEU A 93 -6.330 -3.962 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.627 -5.053 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.125 -4.268 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.645 -5.139 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.377 -7.290 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.968 -7.242 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.325 -6.482 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.976 -5.468 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.618 -7.164 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.692 -5.387 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.183 -6.347 -1.497 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.209 -7.427 -6.308 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.556 -8.755 -6.798 1.00 0.00 C ATOM 1364 C ILE A 94 -3.905 -9.841 -5.949 1.00 0.00 C ATOM 1365 O ILE A 94 -2.715 -9.773 -5.639 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.132 -8.942 -8.266 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.889 -7.965 -9.168 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.375 -10.378 -8.709 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.119 -7.564 -10.406 1.00 0.00 C ATOM 0 H ILE A 94 -3.207 -7.237 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.640 -8.844 -6.728 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.066 -8.732 -8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.834 -8.418 -9.469 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.133 -7.070 -8.596 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.070 -10.494 -9.749 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.794 -11.055 -8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.435 -10.614 -8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.717 -6.871 -10.998 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.186 -7.081 -10.114 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.898 -8.451 -11.000 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.692 -10.846 -5.577 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.191 -11.950 -4.767 1.00 0.00 C ATOM 1383 C VAL A 95 -4.739 -13.285 -5.259 1.00 0.00 C ATOM 1384 O VAL A 95 -5.943 -13.535 -5.196 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.563 -11.770 -3.283 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.021 -12.924 -2.453 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.045 -10.438 -2.762 1.00 0.00 C ATOM 0 H VAL A 95 -5.679 -10.918 -5.824 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.105 -11.948 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.650 -11.770 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.294 -12.780 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.445 -13.861 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.935 -12.959 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.317 -10.327 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.960 -10.406 -2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.487 -9.625 -3.339 1.00 0.00 H new ATOM 1397 N ARG A 96 -3.847 -14.140 -5.747 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.240 -15.451 -6.251 1.00 0.00 C ATOM 1399 C ARG A 96 -4.277 -16.478 -5.123 1.00 0.00 C ATOM 1400 O ARG A 96 -3.536 -16.368 -4.147 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.274 -15.912 -7.344 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.335 -15.068 -8.606 1.00 0.00 C ATOM 1403 CD ARG A 96 -4.643 -15.276 -9.353 1.00 0.00 C ATOM 1404 NE ARG A 96 -4.750 -16.625 -9.903 1.00 0.00 N ATOM 1405 CZ ARG A 96 -5.644 -16.976 -10.821 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -6.504 -16.081 -11.289 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -5.680 -18.223 -11.273 1.00 0.00 N ATOM 0 H ARG A 96 -2.847 -13.949 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.241 -15.365 -6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.257 -15.890 -6.951 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.495 -16.948 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.227 -14.015 -8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.499 -15.324 -9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.479 -15.092 -8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.719 -14.548 -10.161 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.103 -17.337 -9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.480 -15.121 -10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.190 -16.352 -11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.021 -18.914 -10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.367 -18.490 -11.978 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.145 -17.475 -5.265 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.279 -18.520 -4.257 1.00 0.00 C ATOM 1423 C GLU A 97 -4.382 -19.710 -4.585 1.00 0.00 C ATOM 1424 O GLU A 97 -4.371 -20.200 -5.715 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.735 -18.978 -4.156 1.00 0.00 C ATOM 1426 CG GLU A 97 -6.889 -20.426 -3.721 1.00 0.00 C ATOM 1427 CD GLU A 97 -8.194 -20.680 -2.990 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -8.774 -19.711 -2.456 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -8.634 -21.848 -2.953 1.00 0.00 O ATOM 0 H GLU A 97 -5.765 -17.581 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.968 -18.106 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.260 -18.337 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.217 -18.845 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.836 -21.072 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.055 -20.698 -3.073 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.630 -20.169 -3.590 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.729 -21.300 -3.772 1.00 0.00 C ATOM 1438 C ARG A 98 -3.339 -22.579 -3.206 1.00 0.00 C ATOM 1439 O ARG A 98 -4.280 -22.532 -2.414 1.00 0.00 O ATOM 1440 CB ARG A 98 -1.385 -21.022 -3.096 1.00 0.00 C ATOM 1441 CG ARG A 98 -1.474 -20.918 -1.582 1.00 0.00 C ATOM 1442 CD ARG A 98 -1.303 -22.277 -0.920 1.00 0.00 C ATOM 1443 NE ARG A 98 -0.898 -22.157 0.478 1.00 0.00 N ATOM 1444 CZ ARG A 98 -1.702 -21.721 1.441 1.00 0.00 C ATOM 1445 NH1 ARG A 98 -2.948 -21.366 1.159 1.00 0.00 N ATOM 1446 NH2 ARG A 98 -1.260 -21.640 2.690 1.00 0.00 N ATOM 0 H ARG A 98 -3.627 -19.775 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 98 -2.570 -21.436 -4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.686 -21.817 -3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.974 -20.093 -3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.707 -20.235 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.438 -20.494 -1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.240 -22.830 -0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.557 -22.855 -1.465 1.00 0.00 H new ATOM 0 HE ARG A 98 0.054 -22.423 0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.291 -21.427 0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.563 -21.032 1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.302 -21.913 2.911 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.878 -21.305 3.429 1.00 0.00 H new