USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 602 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 32 SER OG : rot 180:sc= 0.053 USER MOD Set 1.2: A 58 TYR OH : rot 14:sc= 0.0549 USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0.0301 USER MOD Set 2.2: A 24 THR OG1 : rot -111:sc= 0.0265 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 100:sc= 0.43 USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0606) USER MOD Single : A 9 THR OG1 : rot 38:sc= 0.352 USER MOD Single : A 10 SER OG : rot 180:sc= -1.43 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.017) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.223 USER MOD Single : A 21 GLN : amide:sc= -0.833 K(o=-0.83,f=-5.4!) USER MOD Single : A 26 SER OG : rot -108:sc= 0.977 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -131:sc= -0.0737 (180deg=-0.835) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.543 K(o=-0.54,f=-0.023) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 0.0261 (180deg=-0.179) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -153:sc= 0.765 (180deg=0.302) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0576) USER MOD Single : A 69 TYR OH : rot -140:sc= -0.109 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.720 16.397 9.569 1.00 0.00 N ATOM 2 CA SER A 1 0.160 15.426 8.589 1.00 0.00 C ATOM 3 C SER A 1 1.268 14.802 7.742 1.00 0.00 C ATOM 4 O SER A 1 2.024 15.513 7.075 1.00 0.00 O ATOM 5 CB SER A 1 -0.859 16.122 7.681 1.00 0.00 C ATOM 6 OG SER A 1 -1.480 15.196 6.805 1.00 0.00 O ATOM 0 H1 SER A 1 -0.053 16.807 10.132 1.00 0.00 H new ATOM 0 H2 SER A 1 1.387 15.908 10.200 1.00 0.00 H new ATOM 0 H3 SER A 1 1.218 17.155 9.061 1.00 0.00 H new ATOM 0 HA SER A 1 -0.337 14.631 9.146 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.617 16.615 8.290 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.362 16.899 7.100 1.00 0.00 H new ATOM 0 HG SER A 1 -2.127 15.665 6.238 1.00 0.00 H new ATOM 14 N ASP A 2 1.361 13.471 7.775 1.00 0.00 N ATOM 15 CA ASP A 2 2.377 12.751 7.009 1.00 0.00 C ATOM 16 C ASP A 2 1.975 11.289 6.804 1.00 0.00 C ATOM 17 O ASP A 2 1.214 10.728 7.596 1.00 0.00 O ATOM 18 CB ASP A 2 3.733 12.836 7.722 1.00 0.00 C ATOM 19 CG ASP A 2 4.895 12.470 6.819 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.388 13.362 6.095 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.316 11.293 6.837 1.00 0.00 O ATOM 0 H ASP A 2 0.745 12.871 8.324 1.00 0.00 H new ATOM 0 HA ASP A 2 2.462 13.219 6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.877 13.848 8.100 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.727 12.171 8.586 1.00 0.00 H new ATOM 26 N VAL A 3 2.491 10.679 5.734 1.00 0.00 N ATOM 27 CA VAL A 3 2.188 9.284 5.412 1.00 0.00 C ATOM 28 C VAL A 3 2.647 8.336 6.523 1.00 0.00 C ATOM 29 O VAL A 3 1.981 7.340 6.809 1.00 0.00 O ATOM 30 CB VAL A 3 2.834 8.857 4.072 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.352 8.767 4.190 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.250 7.536 3.590 1.00 0.00 C ATOM 0 H VAL A 3 3.123 11.132 5.074 1.00 0.00 H new ATOM 0 HA VAL A 3 1.104 9.216 5.318 1.00 0.00 H new ATOM 0 HB VAL A 3 2.605 9.625 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.774 8.465 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.753 9.740 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.615 8.032 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.718 7.254 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.438 6.762 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.175 7.645 3.444 1.00 0.00 H new ATOM 42 N TRP A 4 3.782 8.653 7.150 1.00 0.00 N ATOM 43 CA TRP A 4 4.320 7.823 8.222 1.00 0.00 C ATOM 44 C TRP A 4 3.568 8.068 9.531 1.00 0.00 C ATOM 45 O TRP A 4 3.330 7.131 10.297 1.00 0.00 O ATOM 46 CB TRP A 4 5.816 8.100 8.410 1.00 0.00 C ATOM 47 CG TRP A 4 6.482 7.176 9.385 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.426 7.245 10.747 1.00 0.00 C ATOM 49 CD2 TRP A 4 7.310 6.048 9.073 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.162 6.226 11.302 1.00 0.00 N ATOM 51 CE2 TRP A 4 7.716 5.479 10.295 1.00 0.00 C ATOM 52 CE3 TRP A 4 7.745 5.463 7.881 1.00 0.00 C ATOM 53 CZ2 TRP A 4 8.534 4.354 10.358 1.00 0.00 C ATOM 54 CZ3 TRP A 4 8.560 4.348 7.945 1.00 0.00 C ATOM 55 CH2 TRP A 4 8.945 3.803 9.176 1.00 0.00 C ATOM 0 H TRP A 4 4.343 9.477 6.932 1.00 0.00 H new ATOM 0 HA TRP A 4 4.188 6.778 7.942 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.316 8.017 7.445 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.946 9.128 8.749 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.882 7.992 11.307 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.277 6.054 12.301 1.00 0.00 H new ATOM 0 HE3 TRP A 4 7.450 5.874 6.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 8.833 3.932 11.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.905 3.890 7.030 1.00 0.00 H new ATOM 0 HH2 TRP A 4 9.580 2.929 9.192 1.00 0.00 H new ATOM 66 N SER A 5 3.193 9.325 9.786 1.00 0.00 N ATOM 67 CA SER A 5 2.449 9.673 10.997 1.00 0.00 C ATOM 68 C SER A 5 1.097 8.961 11.010 1.00 0.00 C ATOM 69 O SER A 5 0.730 8.330 12.002 1.00 0.00 O ATOM 70 CB SER A 5 2.248 11.188 11.092 1.00 0.00 C ATOM 71 OG SER A 5 3.490 11.862 11.207 1.00 0.00 O ATOM 0 H SER A 5 3.392 10.115 9.172 1.00 0.00 H new ATOM 0 HA SER A 5 3.028 9.347 11.861 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.718 11.544 10.208 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.623 11.422 11.954 1.00 0.00 H new ATOM 0 HG SER A 5 3.334 12.828 11.264 1.00 0.00 H new ATOM 77 N LEU A 6 0.364 9.068 9.901 1.00 0.00 N ATOM 78 CA LEU A 6 -0.939 8.424 9.774 1.00 0.00 C ATOM 79 C LEU A 6 -0.803 7.118 8.995 1.00 0.00 C ATOM 80 O LEU A 6 -0.896 7.102 7.766 1.00 0.00 O ATOM 81 CB LEU A 6 -1.932 9.360 9.077 1.00 0.00 C ATOM 82 CG LEU A 6 -2.148 10.713 9.763 1.00 0.00 C ATOM 83 CD1 LEU A 6 -3.074 11.590 8.934 1.00 0.00 C ATOM 84 CD2 LEU A 6 -2.708 10.520 11.165 1.00 0.00 C ATOM 0 H LEU A 6 0.653 9.596 9.078 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.318 8.200 10.771 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.585 9.538 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.893 8.852 9.001 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.183 11.213 9.846 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.216 12.547 9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.633 11.758 7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.038 11.094 8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.854 11.492 11.635 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.663 9.998 11.107 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.008 9.931 11.758 1.00 0.00 H new ATOM 96 N SER A 7 -0.571 6.024 9.722 1.00 0.00 N ATOM 97 CA SER A 7 -0.402 4.708 9.105 1.00 0.00 C ATOM 98 C SER A 7 -1.361 3.653 9.682 1.00 0.00 C ATOM 99 O SER A 7 -1.243 2.468 9.366 1.00 0.00 O ATOM 100 CB SER A 7 1.048 4.248 9.273 1.00 0.00 C ATOM 101 OG SER A 7 1.939 5.091 8.562 1.00 0.00 O ATOM 0 H SER A 7 -0.496 6.024 10.739 1.00 0.00 H new ATOM 0 HA SER A 7 -0.645 4.810 8.047 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.311 4.246 10.331 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.151 3.223 8.917 1.00 0.00 H new ATOM 0 HG SER A 7 2.353 5.727 9.182 1.00 0.00 H new ATOM 107 N LYS A 8 -2.306 4.084 10.522 1.00 0.00 N ATOM 108 CA LYS A 8 -3.272 3.170 11.132 1.00 0.00 C ATOM 109 C LYS A 8 -4.538 3.013 10.282 1.00 0.00 C ATOM 110 O LYS A 8 -5.158 1.949 10.281 1.00 0.00 O ATOM 111 CB LYS A 8 -3.643 3.656 12.535 1.00 0.00 C ATOM 112 CG LYS A 8 -2.472 3.671 13.508 1.00 0.00 C ATOM 113 CD LYS A 8 -1.884 2.280 13.699 1.00 0.00 C ATOM 114 CE LYS A 8 -0.684 2.299 14.635 1.00 0.00 C ATOM 115 NZ LYS A 8 -1.062 2.679 16.025 1.00 0.00 N ATOM 0 H LYS A 8 -2.422 5.060 10.794 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.796 2.191 11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.057 4.662 12.464 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.429 3.015 12.936 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.700 4.345 13.138 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.803 4.062 14.470 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.648 1.614 14.100 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.585 1.876 12.732 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.216 1.315 14.644 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.059 3.002 14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.245 2.549 16.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.358 3.676 16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.847 2.078 16.348 1.00 0.00 H new ATOM 129 N THR A 9 -4.922 4.072 9.560 1.00 0.00 N ATOM 130 CA THR A 9 -6.119 4.033 8.716 1.00 0.00 C ATOM 131 C THR A 9 -5.939 3.089 7.526 1.00 0.00 C ATOM 132 O THR A 9 -5.216 3.399 6.578 1.00 0.00 O ATOM 133 CB THR A 9 -6.495 5.438 8.197 1.00 0.00 C ATOM 134 OG1 THR A 9 -5.363 6.055 7.570 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.996 6.319 9.331 1.00 0.00 C ATOM 0 H THR A 9 -4.423 4.962 9.544 1.00 0.00 H new ATOM 0 HA THR A 9 -6.927 3.660 9.345 1.00 0.00 H new ATOM 0 HB THR A 9 -7.295 5.325 7.465 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.854 5.379 7.076 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.254 7.303 8.940 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.878 5.865 9.782 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.215 6.421 10.084 1.00 0.00 H new ATOM 143 N SER A 10 -6.612 1.936 7.585 1.00 0.00 N ATOM 144 CA SER A 10 -6.532 0.934 6.519 1.00 0.00 C ATOM 145 C SER A 10 -7.483 1.270 5.369 1.00 0.00 C ATOM 146 O SER A 10 -8.232 2.247 5.432 1.00 0.00 O ATOM 147 CB SER A 10 -6.858 -0.459 7.069 1.00 0.00 C ATOM 148 OG SER A 10 -6.004 -0.801 8.147 1.00 0.00 O ATOM 0 H SER A 10 -7.219 1.673 8.361 1.00 0.00 H new ATOM 0 HA SER A 10 -5.512 0.940 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.896 -0.487 7.402 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.758 -1.198 6.274 1.00 0.00 H new ATOM 0 HG SER A 10 -6.237 -1.694 8.478 1.00 0.00 H new ATOM 154 N MET A 11 -7.445 0.447 4.318 1.00 0.00 N ATOM 155 CA MET A 11 -8.302 0.643 3.152 1.00 0.00 C ATOM 156 C MET A 11 -8.873 -0.691 2.679 1.00 0.00 C ATOM 157 O MET A 11 -8.143 -1.673 2.535 1.00 0.00 O ATOM 158 CB MET A 11 -7.516 1.308 2.021 1.00 0.00 C ATOM 159 CG MET A 11 -8.355 1.630 0.794 1.00 0.00 C ATOM 160 SD MET A 11 -9.666 2.819 1.138 1.00 0.00 S ATOM 161 CE MET A 11 -10.418 2.969 -0.480 1.00 0.00 C ATOM 0 H MET A 11 -6.828 -0.362 4.253 1.00 0.00 H new ATOM 0 HA MET A 11 -9.128 1.295 3.437 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.069 2.229 2.395 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.696 0.652 1.727 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.708 2.025 0.011 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.796 0.710 0.409 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.249 3.673 -0.431 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.677 3.331 -1.193 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.786 1.995 -0.802 1.00 0.00 H new ATOM 171 N THR A 12 -10.180 -0.712 2.427 1.00 0.00 N ATOM 172 CA THR A 12 -10.856 -1.926 1.981 1.00 0.00 C ATOM 173 C THR A 12 -10.851 -2.048 0.457 1.00 0.00 C ATOM 174 O THR A 12 -11.281 -1.137 -0.254 1.00 0.00 O ATOM 175 CB THR A 12 -12.313 -1.981 2.491 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.335 -1.885 3.921 1.00 0.00 O ATOM 177 CG2 THR A 12 -12.996 -3.271 2.058 1.00 0.00 C ATOM 0 H THR A 12 -10.791 0.099 2.524 1.00 0.00 H new ATOM 0 HA THR A 12 -10.299 -2.763 2.403 1.00 0.00 H new ATOM 0 HB THR A 12 -12.854 -1.140 2.058 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.262 -1.919 4.237 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.020 -3.283 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.005 -3.330 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.452 -4.124 2.463 1.00 0.00 H new ATOM 185 N PHE A 13 -10.352 -3.185 -0.030 1.00 0.00 N ATOM 186 CA PHE A 13 -10.307 -3.470 -1.460 1.00 0.00 C ATOM 187 C PHE A 13 -11.370 -4.507 -1.800 1.00 0.00 C ATOM 188 O PHE A 13 -11.636 -5.412 -1.008 1.00 0.00 O ATOM 189 CB PHE A 13 -8.919 -3.982 -1.865 1.00 0.00 C ATOM 190 CG PHE A 13 -7.856 -2.916 -1.890 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.121 -1.662 -2.418 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.591 -3.175 -1.390 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.143 -0.686 -2.445 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.610 -2.205 -1.416 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.886 -0.958 -1.943 1.00 0.00 C ATOM 0 H PHE A 13 -9.970 -3.929 0.554 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.505 -2.552 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.616 -4.767 -1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.985 -4.438 -2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.103 -1.445 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.370 -4.147 -0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.362 0.288 -2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.627 -2.420 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.120 -0.197 -1.962 1.00 0.00 H new ATOM 205 N GLN A 14 -11.976 -4.375 -2.978 1.00 0.00 N ATOM 206 CA GLN A 14 -13.011 -5.309 -3.408 1.00 0.00 C ATOM 207 C GLN A 14 -12.540 -6.129 -4.606 1.00 0.00 C ATOM 208 O GLN A 14 -12.038 -5.574 -5.587 1.00 0.00 O ATOM 209 CB GLN A 14 -14.299 -4.562 -3.757 1.00 0.00 C ATOM 210 CG GLN A 14 -15.444 -5.475 -4.172 1.00 0.00 C ATOM 211 CD GLN A 14 -16.653 -4.709 -4.674 1.00 0.00 C ATOM 212 OE1 GLN A 14 -17.532 -4.337 -3.896 1.00 0.00 O ATOM 213 NE2 GLN A 14 -16.707 -4.474 -5.981 1.00 0.00 N ATOM 0 H GLN A 14 -11.769 -3.634 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.213 -5.990 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.611 -3.972 -2.895 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.094 -3.861 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.098 -6.152 -4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.737 -6.092 -3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.956 -4.801 -6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.499 -3.967 -6.376 1.00 0.00 H new ATOM 222 N PRO A 15 -12.697 -7.464 -4.537 1.00 0.00 N ATOM 223 CA PRO A 15 -12.290 -8.363 -5.622 1.00 0.00 C ATOM 224 C PRO A 15 -13.140 -8.177 -6.875 1.00 0.00 C ATOM 225 O PRO A 15 -14.341 -7.906 -6.788 1.00 0.00 O ATOM 226 CB PRO A 15 -12.496 -9.762 -5.033 1.00 0.00 C ATOM 227 CG PRO A 15 -13.482 -9.587 -3.931 1.00 0.00 C ATOM 228 CD PRO A 15 -13.280 -8.196 -3.396 1.00 0.00 C ATOM 0 HA PRO A 15 -11.265 -8.174 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.869 -10.455 -5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.558 -10.173 -4.659 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.500 -9.718 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.326 -10.330 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.221 -7.751 -3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.613 -8.191 -2.534 1.00 0.00 H new ATOM 236 N LYS A 16 -12.512 -8.325 -8.042 1.00 0.00 N ATOM 237 CA LYS A 16 -13.213 -8.178 -9.315 1.00 0.00 C ATOM 238 C LYS A 16 -14.172 -9.348 -9.544 1.00 0.00 C ATOM 239 O LYS A 16 -15.235 -9.176 -10.144 1.00 0.00 O ATOM 240 CB LYS A 16 -12.212 -8.079 -10.471 1.00 0.00 C ATOM 241 CG LYS A 16 -11.350 -6.826 -10.427 1.00 0.00 C ATOM 242 CD LYS A 16 -12.183 -5.564 -10.583 1.00 0.00 C ATOM 243 CE LYS A 16 -11.321 -4.314 -10.495 1.00 0.00 C ATOM 244 NZ LYS A 16 -12.129 -3.067 -10.598 1.00 0.00 N ATOM 0 H LYS A 16 -11.520 -8.546 -8.131 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.795 -7.257 -9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.564 -8.956 -10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.757 -8.102 -11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.809 -6.790 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.604 -6.870 -11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.700 -5.584 -11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.949 -5.534 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.777 -4.316 -9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.577 -4.330 -11.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.589 -2.270 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.349 -2.878 -11.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.014 -3.182 -10.064 1.00 0.00 H new ATOM 258 N LYS A 17 -13.790 -10.534 -9.064 1.00 0.00 N ATOM 259 CA LYS A 17 -14.616 -11.730 -9.208 1.00 0.00 C ATOM 260 C LYS A 17 -14.897 -12.372 -7.848 1.00 0.00 C ATOM 261 O LYS A 17 -14.253 -12.043 -6.849 1.00 0.00 O ATOM 262 CB LYS A 17 -13.946 -12.743 -10.147 1.00 0.00 C ATOM 263 CG LYS A 17 -12.499 -13.065 -9.792 1.00 0.00 C ATOM 264 CD LYS A 17 -11.525 -12.068 -10.408 1.00 0.00 C ATOM 265 CE LYS A 17 -11.555 -12.115 -11.929 1.00 0.00 C ATOM 266 NZ LYS A 17 -10.640 -11.109 -12.536 1.00 0.00 N ATOM 0 H LYS A 17 -12.911 -10.689 -8.571 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.567 -11.427 -9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.524 -13.667 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.980 -12.355 -11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.383 -13.063 -8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.256 -14.070 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.773 -11.062 -10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.515 -12.282 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.273 -13.112 -12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.572 -11.937 -12.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.691 -11.174 -13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.924 -10.155 -12.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.665 -11.294 -12.225 1.00 0.00 H new ATOM 280 N ALA A 18 -15.864 -13.292 -7.822 1.00 0.00 N ATOM 281 CA ALA A 18 -16.248 -13.981 -6.589 1.00 0.00 C ATOM 282 C ALA A 18 -15.091 -14.782 -5.988 1.00 0.00 C ATOM 283 O ALA A 18 -14.946 -14.848 -4.766 1.00 0.00 O ATOM 284 CB ALA A 18 -17.440 -14.893 -6.846 1.00 0.00 C ATOM 0 H ALA A 18 -16.397 -13.577 -8.644 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.525 -13.216 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.716 -15.400 -5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.283 -14.299 -7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.175 -15.634 -7.601 1.00 0.00 H new ATOM 290 N SER A 19 -14.270 -15.390 -6.850 1.00 0.00 N ATOM 291 CA SER A 19 -13.129 -16.191 -6.400 1.00 0.00 C ATOM 292 C SER A 19 -12.180 -15.375 -5.515 1.00 0.00 C ATOM 293 O SER A 19 -11.724 -15.857 -4.478 1.00 0.00 O ATOM 294 CB SER A 19 -12.367 -16.759 -7.603 1.00 0.00 C ATOM 295 OG SER A 19 -11.847 -15.725 -8.421 1.00 0.00 O ATOM 0 H SER A 19 -14.375 -15.342 -7.863 1.00 0.00 H new ATOM 0 HA SER A 19 -13.521 -17.014 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.552 -17.393 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.032 -17.391 -8.192 1.00 0.00 H new ATOM 0 HG SER A 19 -11.365 -16.118 -9.178 1.00 0.00 H new ATOM 301 N LEU A 20 -11.891 -14.139 -5.931 1.00 0.00 N ATOM 302 CA LEU A 20 -11.000 -13.259 -5.177 1.00 0.00 C ATOM 303 C LEU A 20 -11.652 -12.802 -3.871 1.00 0.00 C ATOM 304 O LEU A 20 -12.880 -12.768 -3.757 1.00 0.00 O ATOM 305 CB LEU A 20 -10.621 -12.046 -6.026 1.00 0.00 C ATOM 306 CG LEU A 20 -9.752 -12.346 -7.252 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.515 -11.078 -8.059 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.427 -12.968 -6.835 1.00 0.00 C ATOM 0 H LEU A 20 -12.262 -13.727 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.099 -13.820 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.536 -11.559 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.093 -11.332 -5.394 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.282 -13.062 -7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.896 -11.309 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.471 -10.675 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.008 -10.340 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.826 -13.173 -7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.890 -12.278 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.614 -13.899 -6.301 1.00 0.00 H new ATOM 320 N GLN A 21 -10.819 -12.447 -2.889 1.00 0.00 N ATOM 321 CA GLN A 21 -11.305 -12.004 -1.580 1.00 0.00 C ATOM 322 C GLN A 21 -10.830 -10.585 -1.262 1.00 0.00 C ATOM 323 O GLN A 21 -9.687 -10.228 -1.550 1.00 0.00 O ATOM 324 CB GLN A 21 -10.831 -12.966 -0.485 1.00 0.00 C ATOM 325 CG GLN A 21 -11.203 -14.421 -0.740 1.00 0.00 C ATOM 326 CD GLN A 21 -12.692 -14.692 -0.595 1.00 0.00 C ATOM 327 OE1 GLN A 21 -13.524 -13.819 -0.846 1.00 0.00 O ATOM 328 NE2 GLN A 21 -13.037 -15.910 -0.190 1.00 0.00 N ATOM 0 H GLN A 21 -9.803 -12.458 -2.976 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.395 -12.001 -1.613 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.748 -12.889 -0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.257 -12.654 0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.886 -14.700 -1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.655 -15.057 -0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.317 -16.605 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.022 -16.150 -0.077 1.00 0.00 H new ATOM 337 N PRO A 22 -11.704 -9.763 -0.643 1.00 0.00 N ATOM 338 CA PRO A 22 -11.379 -8.372 -0.280 1.00 0.00 C ATOM 339 C PRO A 22 -10.093 -8.250 0.543 1.00 0.00 C ATOM 340 O PRO A 22 -9.694 -9.189 1.236 1.00 0.00 O ATOM 341 CB PRO A 22 -12.588 -7.930 0.549 1.00 0.00 C ATOM 342 CG PRO A 22 -13.704 -8.794 0.077 1.00 0.00 C ATOM 343 CD PRO A 22 -13.083 -10.122 -0.254 1.00 0.00 C ATOM 0 HA PRO A 22 -11.198 -7.761 -1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.407 -8.064 1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.811 -6.874 0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.468 -8.901 0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.191 -8.361 -0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.097 -10.797 0.601 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.612 -10.623 -1.064 1.00 0.00 H new ATOM 351 N LEU A 23 -9.457 -7.080 0.463 1.00 0.00 N ATOM 352 CA LEU A 23 -8.213 -6.816 1.189 1.00 0.00 C ATOM 353 C LEU A 23 -8.327 -5.534 2.006 1.00 0.00 C ATOM 354 O LEU A 23 -8.560 -4.458 1.457 1.00 0.00 O ATOM 355 CB LEU A 23 -7.045 -6.711 0.206 1.00 0.00 C ATOM 356 CG LEU A 23 -5.646 -6.676 0.833 1.00 0.00 C ATOM 357 CD1 LEU A 23 -4.586 -6.950 -0.224 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.385 -5.335 1.505 1.00 0.00 C ATOM 0 H LEU A 23 -9.785 -6.296 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.030 -7.645 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.094 -7.557 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.177 -5.809 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.595 -7.455 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.598 -6.922 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.755 -7.934 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.645 -6.191 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.386 -5.335 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.457 -4.537 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.124 -5.171 2.289 1.00 0.00 H new ATOM 370 N THR A 24 -8.148 -5.652 3.321 1.00 0.00 N ATOM 371 CA THR A 24 -8.241 -4.494 4.206 1.00 0.00 C ATOM 372 C THR A 24 -7.029 -4.391 5.136 1.00 0.00 C ATOM 373 O THR A 24 -6.964 -5.070 6.163 1.00 0.00 O ATOM 374 CB THR A 24 -9.536 -4.533 5.047 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.673 -4.702 4.190 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.701 -3.252 5.855 1.00 0.00 C ATOM 0 H THR A 24 -7.939 -6.531 3.794 1.00 0.00 H new ATOM 0 HA THR A 24 -8.261 -3.612 3.565 1.00 0.00 H new ATOM 0 HB THR A 24 -9.465 -5.375 5.736 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.203 -3.878 4.184 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.620 -3.305 6.438 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.851 -3.134 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.750 -2.399 5.178 1.00 0.00 H new ATOM 384 N ILE A 25 -6.067 -3.547 4.760 1.00 0.00 N ATOM 385 CA ILE A 25 -4.854 -3.356 5.556 1.00 0.00 C ATOM 386 C ILE A 25 -4.286 -1.945 5.366 1.00 0.00 C ATOM 387 O ILE A 25 -4.564 -1.285 4.362 1.00 0.00 O ATOM 388 CB ILE A 25 -3.775 -4.408 5.200 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.758 -4.548 6.337 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.074 -4.050 3.897 1.00 0.00 C ATOM 391 CD1 ILE A 25 -3.349 -5.119 7.608 1.00 0.00 C ATOM 0 H ILE A 25 -6.104 -2.985 3.910 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.132 -3.485 6.602 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.274 -5.368 5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.941 -5.189 6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.329 -3.570 6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.321 -4.805 3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.805 -4.012 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.593 -3.077 3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.573 -5.190 8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.147 -4.467 7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.753 -6.111 7.408 1.00 0.00 H new ATOM 403 N SER A 26 -3.491 -1.490 6.338 1.00 0.00 N ATOM 404 CA SER A 26 -2.893 -0.158 6.281 1.00 0.00 C ATOM 405 C SER A 26 -1.364 -0.219 6.213 1.00 0.00 C ATOM 406 O SER A 26 -0.768 -1.295 6.172 1.00 0.00 O ATOM 407 CB SER A 26 -3.321 0.660 7.502 1.00 0.00 C ATOM 408 OG SER A 26 -3.001 2.029 7.339 1.00 0.00 O ATOM 0 H SER A 26 -3.248 -2.025 7.172 1.00 0.00 H new ATOM 0 HA SER A 26 -3.249 0.322 5.369 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.394 0.551 7.658 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.828 0.272 8.394 1.00 0.00 H new ATOM 0 HG SER A 26 -2.250 2.261 7.924 1.00 0.00 H new ATOM 414 N LEU A 27 -0.750 0.965 6.203 1.00 0.00 N ATOM 415 CA LEU A 27 0.705 1.113 6.151 1.00 0.00 C ATOM 416 C LEU A 27 1.394 0.410 7.321 1.00 0.00 C ATOM 417 O LEU A 27 2.157 -0.537 7.124 1.00 0.00 O ATOM 418 CB LEU A 27 1.072 2.604 6.171 1.00 0.00 C ATOM 419 CG LEU A 27 0.312 3.483 5.171 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.811 4.918 5.235 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.446 2.932 3.759 1.00 0.00 C ATOM 0 H LEU A 27 -1.251 1.853 6.231 1.00 0.00 H new ATOM 0 HA LEU A 27 1.051 0.648 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.896 2.990 7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.140 2.700 5.975 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.744 3.474 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.260 5.527 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.658 5.312 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.873 4.945 4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.101 3.571 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.498 2.907 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.037 1.923 3.722 1.00 0.00 H new ATOM 433 N ASP A 28 1.102 0.866 8.538 1.00 0.00 N ATOM 434 CA ASP A 28 1.715 0.310 9.745 1.00 0.00 C ATOM 435 C ASP A 28 1.367 -1.166 9.929 1.00 0.00 C ATOM 436 O ASP A 28 2.190 -1.946 10.410 1.00 0.00 O ATOM 437 CB ASP A 28 1.279 1.116 10.975 1.00 0.00 C ATOM 438 CG ASP A 28 1.780 0.524 12.280 1.00 0.00 C ATOM 439 OD1 ASP A 28 2.938 0.807 12.656 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.014 -0.223 12.925 1.00 0.00 O ATOM 0 H ASP A 28 0.441 1.623 8.715 1.00 0.00 H new ATOM 0 HA ASP A 28 2.797 0.381 9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.646 2.138 10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.191 1.169 11.001 1.00 0.00 H new ATOM 445 N GLU A 29 0.151 -1.546 9.540 1.00 0.00 N ATOM 446 CA GLU A 29 -0.298 -2.929 9.673 1.00 0.00 C ATOM 447 C GLU A 29 0.227 -3.829 8.547 1.00 0.00 C ATOM 448 O GLU A 29 0.023 -5.043 8.591 1.00 0.00 O ATOM 449 CB GLU A 29 -1.828 -2.994 9.702 1.00 0.00 C ATOM 450 CG GLU A 29 -2.449 -2.427 10.968 1.00 0.00 C ATOM 451 CD GLU A 29 -2.659 -0.926 10.901 1.00 0.00 C ATOM 452 OE1 GLU A 29 -3.738 -0.499 10.441 1.00 0.00 O ATOM 453 OE2 GLU A 29 -1.746 -0.176 11.310 1.00 0.00 O ATOM 0 H GLU A 29 -0.539 -0.916 9.131 1.00 0.00 H new ATOM 0 HA GLU A 29 0.109 -3.300 10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.220 -2.450 8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.139 -4.033 9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.407 -2.915 11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.808 -2.662 11.818 1.00 0.00 H new ATOM 460 N LEU A 30 0.900 -3.251 7.543 1.00 0.00 N ATOM 461 CA LEU A 30 1.418 -4.053 6.433 1.00 0.00 C ATOM 462 C LEU A 30 2.929 -3.872 6.211 1.00 0.00 C ATOM 463 O LEU A 30 3.464 -4.323 5.198 1.00 0.00 O ATOM 464 CB LEU A 30 0.649 -3.731 5.147 1.00 0.00 C ATOM 465 CG LEU A 30 0.837 -4.724 3.996 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.275 -6.088 4.367 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.178 -4.202 2.729 1.00 0.00 C ATOM 0 H LEU A 30 1.094 -2.252 7.478 1.00 0.00 H new ATOM 0 HA LEU A 30 1.266 -5.098 6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.413 -3.675 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.951 -2.742 4.803 1.00 0.00 H new ATOM 0 HG LEU A 30 1.905 -4.834 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.418 -6.779 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.793 -6.467 5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.789 -5.996 4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.322 -4.920 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.889 -4.062 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.628 -3.249 2.451 1.00 0.00 H new ATOM 479 N PHE A 31 3.619 -3.234 7.166 1.00 0.00 N ATOM 480 CA PHE A 31 5.068 -3.044 7.034 1.00 0.00 C ATOM 481 C PHE A 31 5.786 -3.373 8.341 1.00 0.00 C ATOM 482 O PHE A 31 5.306 -3.036 9.426 1.00 0.00 O ATOM 483 CB PHE A 31 5.421 -1.623 6.572 1.00 0.00 C ATOM 484 CG PHE A 31 4.772 -1.213 5.277 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.840 -2.027 4.159 1.00 0.00 C ATOM 486 CD2 PHE A 31 4.092 -0.010 5.182 1.00 0.00 C ATOM 487 CE1 PHE A 31 4.241 -1.650 2.973 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.492 0.373 3.999 1.00 0.00 C ATOM 489 CZ PHE A 31 3.565 -0.449 2.893 1.00 0.00 C ATOM 0 H PHE A 31 3.210 -2.850 8.018 1.00 0.00 H new ATOM 0 HA PHE A 31 5.411 -3.736 6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.129 -0.918 7.350 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.503 -1.547 6.462 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.368 -2.968 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.030 0.637 6.045 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.301 -2.295 2.109 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.966 1.315 3.939 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.094 -0.153 1.967 1.00 0.00 H new ATOM 499 N SER A 32 6.938 -4.034 8.226 1.00 0.00 N ATOM 500 CA SER A 32 7.725 -4.427 9.393 1.00 0.00 C ATOM 501 C SER A 32 9.200 -4.056 9.212 1.00 0.00 C ATOM 502 O SER A 32 10.090 -4.866 9.483 1.00 0.00 O ATOM 503 CB SER A 32 7.601 -5.941 9.597 1.00 0.00 C ATOM 504 OG SER A 32 7.844 -6.645 8.390 1.00 0.00 O ATOM 0 H SER A 32 7.347 -4.309 7.333 1.00 0.00 H new ATOM 0 HA SER A 32 7.343 -3.897 10.265 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.309 -6.267 10.359 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.603 -6.180 9.965 1.00 0.00 H new ATOM 0 HG SER A 32 7.760 -7.608 8.550 1.00 0.00 H new ATOM 510 N SER A 33 9.451 -2.822 8.771 1.00 0.00 N ATOM 511 CA SER A 33 10.817 -2.340 8.553 1.00 0.00 C ATOM 512 C SER A 33 10.821 -0.915 7.999 1.00 0.00 C ATOM 513 O SER A 33 9.997 -0.571 7.149 1.00 0.00 O ATOM 514 CB SER A 33 11.566 -3.277 7.599 1.00 0.00 C ATOM 515 OG SER A 33 12.788 -2.704 7.163 1.00 0.00 O ATOM 0 H SER A 33 8.726 -2.137 8.558 1.00 0.00 H new ATOM 0 HA SER A 33 11.326 -2.330 9.517 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.765 -4.225 8.099 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.938 -3.498 6.736 1.00 0.00 H new ATOM 0 HG SER A 33 13.243 -3.326 6.558 1.00 0.00 H new ATOM 521 N ARG A 34 11.750 -0.087 8.485 1.00 0.00 N ATOM 522 CA ARG A 34 11.859 1.297 8.020 1.00 0.00 C ATOM 523 C ARG A 34 12.184 1.332 6.527 1.00 0.00 C ATOM 524 O ARG A 34 11.525 2.035 5.758 1.00 0.00 O ATOM 525 CB ARG A 34 12.934 2.054 8.810 1.00 0.00 C ATOM 526 CG ARG A 34 12.528 3.471 9.191 1.00 0.00 C ATOM 527 CD ARG A 34 12.196 4.314 7.968 1.00 0.00 C ATOM 528 NE ARG A 34 11.721 5.649 8.333 1.00 0.00 N ATOM 529 CZ ARG A 34 10.994 6.431 7.529 1.00 0.00 C ATOM 530 NH1 ARG A 34 10.665 6.023 6.305 1.00 0.00 N ATOM 531 NH2 ARG A 34 10.596 7.627 7.951 1.00 0.00 N ATOM 0 H ARG A 34 12.433 -0.349 9.196 1.00 0.00 H new ATOM 0 HA ARG A 34 10.900 1.787 8.185 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.167 1.496 9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.848 2.094 8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.663 3.435 9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.337 3.943 9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.082 4.404 7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.434 3.808 7.375 1.00 0.00 H new ATOM 0 HE ARG A 34 11.960 6.005 9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.968 5.107 5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.110 6.626 5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.845 7.947 8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.041 8.225 7.339 1.00 0.00 H new ATOM 545 N GLY A 35 13.204 0.567 6.126 1.00 0.00 N ATOM 546 CA GLY A 35 13.590 0.505 4.726 1.00 0.00 C ATOM 547 C GLY A 35 12.487 -0.061 3.848 1.00 0.00 C ATOM 548 O GLY A 35 12.358 0.322 2.684 1.00 0.00 O ATOM 0 H GLY A 35 13.768 -0.010 6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.851 1.505 4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.484 -0.111 4.625 1.00 0.00 H new ATOM 552 N GLU A 36 11.690 -0.980 4.406 1.00 0.00 N ATOM 553 CA GLU A 36 10.573 -1.578 3.675 1.00 0.00 C ATOM 554 C GLU A 36 9.602 -0.492 3.218 1.00 0.00 C ATOM 555 O GLU A 36 9.118 -0.518 2.087 1.00 0.00 O ATOM 556 CB GLU A 36 9.847 -2.602 4.556 1.00 0.00 C ATOM 557 CG GLU A 36 8.636 -3.243 3.892 1.00 0.00 C ATOM 558 CD GLU A 36 8.998 -4.060 2.664 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.025 -3.485 1.555 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.253 -5.273 2.813 1.00 0.00 O ATOM 0 H GLU A 36 11.800 -1.324 5.360 1.00 0.00 H new ATOM 0 HA GLU A 36 10.965 -2.091 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.550 -3.385 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.527 -2.113 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.130 -3.885 4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.929 -2.464 3.608 1.00 0.00 H new ATOM 567 N PHE A 37 9.330 0.466 4.111 1.00 0.00 N ATOM 568 CA PHE A 37 8.435 1.579 3.807 1.00 0.00 C ATOM 569 C PHE A 37 9.003 2.413 2.658 1.00 0.00 C ATOM 570 O PHE A 37 8.270 2.839 1.764 1.00 0.00 O ATOM 571 CB PHE A 37 8.242 2.457 5.047 1.00 0.00 C ATOM 572 CG PHE A 37 7.106 3.436 4.932 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.805 3.036 5.189 1.00 0.00 C ATOM 574 CD2 PHE A 37 7.339 4.753 4.572 1.00 0.00 C ATOM 575 CE1 PHE A 37 4.758 3.931 5.089 1.00 0.00 C ATOM 576 CE2 PHE A 37 6.296 5.654 4.471 1.00 0.00 C ATOM 577 CZ PHE A 37 5.003 5.242 4.729 1.00 0.00 C ATOM 0 H PHE A 37 9.721 0.489 5.053 1.00 0.00 H new ATOM 0 HA PHE A 37 7.467 1.177 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.069 1.815 5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.164 3.006 5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.607 2.012 5.471 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.348 5.080 4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.748 3.606 5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.491 6.679 4.191 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.185 5.943 4.649 1.00 0.00 H new ATOM 587 N ILE A 38 10.312 2.664 2.707 1.00 0.00 N ATOM 588 CA ILE A 38 10.994 3.425 1.664 1.00 0.00 C ATOM 589 C ILE A 38 10.792 2.790 0.287 1.00 0.00 C ATOM 590 O ILE A 38 10.370 3.468 -0.651 1.00 0.00 O ATOM 591 CB ILE A 38 12.508 3.541 1.957 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.731 4.232 3.308 1.00 0.00 C ATOM 593 CG2 ILE A 38 13.218 4.300 0.842 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.100 5.607 3.403 1.00 0.00 C ATOM 0 H ILE A 38 10.922 2.349 3.462 1.00 0.00 H new ATOM 0 HA ILE A 38 10.554 4.422 1.660 1.00 0.00 H new ATOM 0 HB ILE A 38 12.931 2.537 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.326 3.601 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.802 4.321 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.282 4.369 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.082 3.771 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.798 5.303 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.300 6.032 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.522 6.255 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.023 5.524 3.256 1.00 0.00 H new ATOM 606 N SER A 39 11.094 1.489 0.168 1.00 0.00 N ATOM 607 CA SER A 39 10.946 0.786 -1.109 1.00 0.00 C ATOM 608 C SER A 39 9.508 0.893 -1.610 1.00 0.00 C ATOM 609 O SER A 39 9.256 1.513 -2.644 1.00 0.00 O ATOM 610 CB SER A 39 11.363 -0.683 -0.977 1.00 0.00 C ATOM 611 OG SER A 39 12.721 -0.797 -0.584 1.00 0.00 O ATOM 0 H SER A 39 11.439 0.910 0.933 1.00 0.00 H new ATOM 0 HA SER A 39 11.605 1.259 -1.838 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.727 -1.180 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.213 -1.193 -1.928 1.00 0.00 H new ATOM 0 HG SER A 39 12.960 -1.744 -0.506 1.00 0.00 H new ATOM 617 N VAL A 40 8.578 0.260 -0.882 1.00 0.00 N ATOM 618 CA VAL A 40 7.156 0.239 -1.250 1.00 0.00 C ATOM 619 C VAL A 40 6.659 1.523 -1.914 1.00 0.00 C ATOM 620 O VAL A 40 5.849 1.453 -2.840 1.00 0.00 O ATOM 621 CB VAL A 40 6.250 -0.095 -0.044 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.503 -1.517 0.433 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.456 0.895 1.089 1.00 0.00 C ATOM 0 H VAL A 40 8.789 -0.250 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 40 7.086 -0.555 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 40 5.213 -0.017 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.857 -1.736 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.288 -2.216 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.546 -1.620 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.805 0.634 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.495 0.863 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.216 1.900 0.742 1.00 0.00 H new ATOM 633 N GLY A 41 7.127 2.691 -1.462 1.00 0.00 N ATOM 634 CA GLY A 41 6.687 3.941 -2.058 1.00 0.00 C ATOM 635 C GLY A 41 6.247 4.955 -1.014 1.00 0.00 C ATOM 636 O GLY A 41 5.233 5.631 -1.194 1.00 0.00 O ATOM 0 H GLY A 41 7.798 2.790 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.498 4.363 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.861 3.744 -2.741 1.00 0.00 H new ATOM 640 N GLY A 42 7.019 5.071 0.074 1.00 0.00 N ATOM 641 CA GLY A 42 6.674 5.998 1.137 1.00 0.00 C ATOM 642 C GLY A 42 7.730 7.062 1.373 1.00 0.00 C ATOM 643 O GLY A 42 8.745 6.805 2.024 1.00 0.00 O ATOM 0 H GLY A 42 7.874 4.538 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.728 6.482 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.518 5.440 2.060 1.00 0.00 H new ATOM 647 N ASP A 43 7.485 8.257 0.838 1.00 0.00 N ATOM 648 CA ASP A 43 8.382 9.392 1.042 1.00 0.00 C ATOM 649 C ASP A 43 7.942 10.143 2.303 1.00 0.00 C ATOM 650 O ASP A 43 8.529 9.955 3.369 1.00 0.00 O ATOM 651 CB ASP A 43 8.369 10.319 -0.178 1.00 0.00 C ATOM 652 CG ASP A 43 8.959 9.661 -1.412 1.00 0.00 C ATOM 653 OD1 ASP A 43 8.205 8.983 -2.142 1.00 0.00 O ATOM 654 OD2 ASP A 43 10.175 9.825 -1.649 1.00 0.00 O ATOM 0 H ASP A 43 6.671 8.464 0.259 1.00 0.00 H new ATOM 0 HA ASP A 43 9.404 9.034 1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.344 10.625 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.931 11.224 0.051 1.00 0.00 H new ATOM 659 N GLY A 44 6.913 10.988 2.184 1.00 0.00 N ATOM 660 CA GLY A 44 6.442 11.744 3.334 1.00 0.00 C ATOM 661 C GLY A 44 4.997 12.176 3.210 1.00 0.00 C ATOM 662 O GLY A 44 4.126 11.638 3.888 1.00 0.00 O ATOM 0 H GLY A 44 6.403 11.160 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.558 11.137 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.069 12.626 3.463 1.00 0.00 H new ATOM 666 N ARG A 45 4.736 13.151 2.347 1.00 0.00 N ATOM 667 CA ARG A 45 3.380 13.651 2.157 1.00 0.00 C ATOM 668 C ARG A 45 2.652 12.862 1.074 1.00 0.00 C ATOM 669 O ARG A 45 2.779 13.151 -0.118 1.00 0.00 O ATOM 670 CB ARG A 45 3.402 15.143 1.816 1.00 0.00 C ATOM 671 CG ARG A 45 3.690 16.032 3.017 1.00 0.00 C ATOM 672 CD ARG A 45 5.116 15.860 3.521 1.00 0.00 C ATOM 673 NE ARG A 45 5.404 16.725 4.666 1.00 0.00 N ATOM 674 CZ ARG A 45 6.544 16.691 5.361 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.521 15.855 5.019 1.00 0.00 N ATOM 676 NH2 ARG A 45 6.709 17.504 6.400 1.00 0.00 N ATOM 0 H ARG A 45 5.442 13.609 1.770 1.00 0.00 H new ATOM 0 HA ARG A 45 2.836 13.518 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.157 15.322 1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.440 15.425 1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.524 17.074 2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.990 15.797 3.819 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.277 14.820 3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.814 16.083 2.714 1.00 0.00 H new ATOM 0 HE ARG A 45 4.690 17.395 4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.403 15.233 4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.388 15.837 5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.966 18.151 6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.578 17.481 6.933 1.00 0.00 H new ATOM 690 N MET A 46 1.898 11.851 1.505 1.00 0.00 N ATOM 691 CA MET A 46 1.137 11.012 0.586 1.00 0.00 C ATOM 692 C MET A 46 -0.257 11.596 0.356 1.00 0.00 C ATOM 693 O MET A 46 -0.679 12.512 1.065 1.00 0.00 O ATOM 694 CB MET A 46 1.035 9.586 1.132 1.00 0.00 C ATOM 695 CG MET A 46 0.873 8.532 0.051 1.00 0.00 C ATOM 696 SD MET A 46 2.213 7.324 0.050 1.00 0.00 S ATOM 697 CE MET A 46 3.624 8.378 -0.278 1.00 0.00 C ATOM 0 H MET A 46 1.799 11.595 2.487 1.00 0.00 H new ATOM 0 HA MET A 46 1.659 10.983 -0.370 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.930 9.364 1.714 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.188 9.527 1.815 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.076 8.015 0.192 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.828 9.020 -0.923 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.220 7.948 -1.083 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.278 9.369 -0.572 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.234 8.460 0.622 1.00 0.00 H new ATOM 707 N SER A 47 -0.969 11.061 -0.634 1.00 0.00 N ATOM 708 CA SER A 47 -2.304 11.550 -0.963 1.00 0.00 C ATOM 709 C SER A 47 -3.411 10.794 -0.223 1.00 0.00 C ATOM 710 O SER A 47 -3.962 11.290 0.761 1.00 0.00 O ATOM 711 CB SER A 47 -2.529 11.476 -2.476 1.00 0.00 C ATOM 712 OG SER A 47 -1.789 12.478 -3.155 1.00 0.00 O ATOM 0 H SER A 47 -0.644 10.292 -1.220 1.00 0.00 H new ATOM 0 HA SER A 47 -2.357 12.587 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.235 10.492 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.590 11.593 -2.695 1.00 0.00 H new ATOM 0 HG SER A 47 -1.950 12.407 -4.119 1.00 0.00 H new ATOM 718 N HIS A 48 -3.726 9.592 -0.709 1.00 0.00 N ATOM 719 CA HIS A 48 -4.797 8.762 -0.156 1.00 0.00 C ATOM 720 C HIS A 48 -4.777 7.372 -0.790 1.00 0.00 C ATOM 721 O HIS A 48 -4.508 6.384 -0.102 1.00 0.00 O ATOM 722 CB HIS A 48 -6.153 9.438 -0.421 1.00 0.00 C ATOM 723 CG HIS A 48 -7.341 8.576 -0.106 1.00 0.00 C ATOM 724 ND1 HIS A 48 -8.082 8.709 1.050 1.00 0.00 N ATOM 725 CD2 HIS A 48 -7.919 7.569 -0.807 1.00 0.00 C ATOM 726 CE1 HIS A 48 -9.062 7.823 1.046 1.00 0.00 C ATOM 727 NE2 HIS A 48 -8.985 7.120 -0.068 1.00 0.00 N ATOM 0 H HIS A 48 -3.244 9.166 -1.500 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.645 8.654 0.918 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.213 10.351 0.171 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.200 9.734 -1.469 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.600 7.191 -1.767 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.801 7.696 1.823 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.616 6.365 -0.337 1.00 0.00 H new ATOM 736 N LYS A 49 -5.060 7.286 -2.089 1.00 0.00 N ATOM 737 CA LYS A 49 -5.019 6.009 -2.798 1.00 0.00 C ATOM 738 C LYS A 49 -3.567 5.534 -2.949 1.00 0.00 C ATOM 739 O LYS A 49 -3.312 4.344 -3.148 1.00 0.00 O ATOM 740 CB LYS A 49 -5.676 6.159 -4.173 1.00 0.00 C ATOM 741 CG LYS A 49 -5.925 4.839 -4.884 1.00 0.00 C ATOM 742 CD LYS A 49 -6.791 5.025 -6.121 1.00 0.00 C ATOM 743 CE LYS A 49 -8.199 5.486 -5.765 1.00 0.00 C ATOM 744 NZ LYS A 49 -8.934 4.476 -4.952 1.00 0.00 N ATOM 0 H LYS A 49 -5.319 8.083 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.569 5.264 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.625 6.682 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.042 6.785 -4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.972 4.393 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.410 4.143 -4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.326 5.756 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.845 4.086 -6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.143 6.424 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.756 5.688 -6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.955 4.666 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.740 3.524 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.620 4.532 -3.962 1.00 0.00 H new ATOM 758 N GLU A 50 -2.623 6.476 -2.850 1.00 0.00 N ATOM 759 CA GLU A 50 -1.201 6.179 -2.984 1.00 0.00 C ATOM 760 C GLU A 50 -0.668 5.389 -1.788 1.00 0.00 C ATOM 761 O GLU A 50 -0.069 4.327 -1.960 1.00 0.00 O ATOM 762 CB GLU A 50 -0.412 7.484 -3.129 1.00 0.00 C ATOM 763 CG GLU A 50 -0.925 8.395 -4.234 1.00 0.00 C ATOM 764 CD GLU A 50 -0.932 7.724 -5.596 1.00 0.00 C ATOM 765 OE1 GLU A 50 0.112 7.761 -6.281 1.00 0.00 O ATOM 766 OE2 GLU A 50 -1.981 7.163 -5.977 1.00 0.00 O ATOM 0 H GLU A 50 -2.826 7.460 -2.675 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.074 5.563 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.444 8.024 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.633 7.245 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.936 8.721 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.304 9.290 -4.278 1.00 0.00 H new ATOM 773 N ALA A 51 -0.897 5.914 -0.579 1.00 0.00 N ATOM 774 CA ALA A 51 -0.424 5.275 0.652 1.00 0.00 C ATOM 775 C ALA A 51 -0.763 3.787 0.685 1.00 0.00 C ATOM 776 O ALA A 51 0.139 2.956 0.784 1.00 0.00 O ATOM 777 CB ALA A 51 -0.997 5.981 1.874 1.00 0.00 C ATOM 0 H ALA A 51 -1.409 6.783 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 51 0.662 5.364 0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.635 5.493 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.681 7.024 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.086 5.932 1.846 1.00 0.00 H new ATOM 783 N ILE A 52 -2.048 3.444 0.603 1.00 0.00 N ATOM 784 CA ILE A 52 -2.452 2.039 0.667 1.00 0.00 C ATOM 785 C ILE A 52 -1.713 1.211 -0.384 1.00 0.00 C ATOM 786 O ILE A 52 -1.201 0.131 -0.079 1.00 0.00 O ATOM 787 CB ILE A 52 -3.975 1.868 0.505 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.718 2.709 1.552 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.364 0.400 0.612 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.481 2.265 2.981 1.00 0.00 C ATOM 0 H ILE A 52 -2.816 4.106 0.494 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.181 1.675 1.658 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.262 2.221 -0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.412 3.750 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.787 2.669 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.443 0.300 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.860 -0.168 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.068 0.015 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.040 2.909 3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.814 1.234 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.418 2.332 3.211 1.00 0.00 H new ATOM 802 N LEU A 53 -1.670 1.714 -1.619 1.00 0.00 N ATOM 803 CA LEU A 53 -1.071 0.978 -2.737 1.00 0.00 C ATOM 804 C LEU A 53 0.335 0.443 -2.432 1.00 0.00 C ATOM 805 O LEU A 53 0.752 -0.557 -3.019 1.00 0.00 O ATOM 806 CB LEU A 53 -1.073 1.830 -4.005 1.00 0.00 C ATOM 807 CG LEU A 53 -0.771 1.085 -5.306 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.822 0.017 -5.570 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.698 2.066 -6.466 1.00 0.00 C ATOM 0 H LEU A 53 -2.043 2.629 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.696 0.100 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.049 2.306 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.339 2.627 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 53 0.195 0.590 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.589 -0.501 -6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.828 -0.698 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.803 0.484 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.482 1.525 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.652 2.585 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.093 2.793 -6.279 1.00 0.00 H new ATOM 821 N LEU A 54 1.064 1.106 -1.529 1.00 0.00 N ATOM 822 CA LEU A 54 2.411 0.668 -1.147 1.00 0.00 C ATOM 823 C LEU A 54 2.448 -0.825 -0.785 1.00 0.00 C ATOM 824 O LEU A 54 3.463 -1.493 -0.990 1.00 0.00 O ATOM 825 CB LEU A 54 2.912 1.491 0.045 1.00 0.00 C ATOM 826 CG LEU A 54 3.624 2.803 -0.299 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.723 3.714 -1.117 1.00 0.00 C ATOM 828 CD2 LEU A 54 4.075 3.505 0.975 1.00 0.00 C ATOM 0 H LEU A 54 0.745 1.947 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 54 3.060 0.824 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.061 1.719 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.594 0.872 0.628 1.00 0.00 H new ATOM 0 HG LEU A 54 4.501 2.568 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.253 4.638 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.446 3.214 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.824 3.944 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.580 4.436 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.207 3.722 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.761 2.859 1.523 1.00 0.00 H new ATOM 840 N GLY A 55 1.334 -1.334 -0.242 1.00 0.00 N ATOM 841 CA GLY A 55 1.247 -2.733 0.160 1.00 0.00 C ATOM 842 C GLY A 55 1.670 -3.715 -0.921 1.00 0.00 C ATOM 843 O GLY A 55 2.383 -4.676 -0.633 1.00 0.00 O ATOM 0 H GLY A 55 0.485 -0.794 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.871 -2.887 1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.221 -2.953 0.454 1.00 0.00 H new ATOM 847 N LEU A 56 1.217 -3.492 -2.159 1.00 0.00 N ATOM 848 CA LEU A 56 1.559 -4.384 -3.273 1.00 0.00 C ATOM 849 C LEU A 56 3.064 -4.646 -3.334 1.00 0.00 C ATOM 850 O LEU A 56 3.489 -5.784 -3.533 1.00 0.00 O ATOM 851 CB LEU A 56 1.078 -3.811 -4.610 1.00 0.00 C ATOM 852 CG LEU A 56 -0.394 -3.388 -4.658 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.792 -3.008 -6.077 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.290 -4.498 -4.127 1.00 0.00 C ATOM 0 H LEU A 56 0.617 -2.708 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 56 1.048 -5.330 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.694 -2.946 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.249 -4.556 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.522 -2.514 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.840 -2.710 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.174 -2.178 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.648 -3.863 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.331 -4.177 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.161 -5.393 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.021 -4.720 -3.094 1.00 0.00 H new ATOM 866 N ARG A 57 3.864 -3.592 -3.169 1.00 0.00 N ATOM 867 CA ARG A 57 5.321 -3.722 -3.188 1.00 0.00 C ATOM 868 C ARG A 57 5.798 -4.646 -2.064 1.00 0.00 C ATOM 869 O ARG A 57 6.729 -5.433 -2.247 1.00 0.00 O ATOM 870 CB ARG A 57 5.988 -2.350 -3.042 1.00 0.00 C ATOM 871 CG ARG A 57 6.075 -1.554 -4.336 1.00 0.00 C ATOM 872 CD ARG A 57 4.698 -1.202 -4.880 1.00 0.00 C ATOM 873 NE ARG A 57 4.761 -0.141 -5.886 1.00 0.00 N ATOM 874 CZ ARG A 57 5.223 -0.311 -7.130 1.00 0.00 C ATOM 875 NH1 ARG A 57 5.668 -1.499 -7.534 1.00 0.00 N ATOM 876 NH2 ARG A 57 5.238 0.715 -7.974 1.00 0.00 N ATOM 0 H ARG A 57 3.528 -2.640 -3.021 1.00 0.00 H new ATOM 0 HA ARG A 57 5.605 -4.155 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.434 -1.766 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.994 -2.489 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.641 -0.639 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.623 -2.131 -5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.243 -2.090 -5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.054 -0.886 -4.059 1.00 0.00 H new ATOM 0 HE ARG A 57 4.432 0.787 -5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.659 -2.292 -6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.018 -1.616 -8.485 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.898 1.628 -7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.589 0.589 -8.923 1.00 0.00 H new ATOM 890 N TYR A 58 5.145 -4.539 -0.903 1.00 0.00 N ATOM 891 CA TYR A 58 5.477 -5.356 0.264 1.00 0.00 C ATOM 892 C TYR A 58 5.257 -6.844 -0.019 1.00 0.00 C ATOM 893 O TYR A 58 6.120 -7.675 0.265 1.00 0.00 O ATOM 894 CB TYR A 58 4.622 -4.924 1.461 1.00 0.00 C ATOM 895 CG TYR A 58 4.910 -5.683 2.740 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.007 -5.365 3.527 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.078 -6.715 3.162 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.271 -6.051 4.697 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.334 -7.404 4.331 1.00 0.00 C ATOM 900 CZ TYR A 58 5.431 -7.070 5.096 1.00 0.00 C ATOM 901 OH TYR A 58 5.688 -7.755 6.262 1.00 0.00 O ATOM 0 H TYR A 58 4.376 -3.887 -0.748 1.00 0.00 H new ATOM 0 HA TYR A 58 6.532 -5.206 0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.780 -3.860 1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.570 -5.052 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.667 -4.567 3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.218 -6.982 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.131 -5.791 5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.677 -8.202 4.645 1.00 0.00 H new ATOM 0 HH TYR A 58 6.352 -7.264 6.790 1.00 0.00 H new ATOM 911 N LYS A 59 4.090 -7.158 -0.583 1.00 0.00 N ATOM 912 CA LYS A 59 3.721 -8.535 -0.912 1.00 0.00 C ATOM 913 C LYS A 59 4.325 -8.999 -2.244 1.00 0.00 C ATOM 914 O LYS A 59 4.261 -10.186 -2.569 1.00 0.00 O ATOM 915 CB LYS A 59 2.197 -8.658 -0.970 1.00 0.00 C ATOM 916 CG LYS A 59 1.509 -8.358 0.354 1.00 0.00 C ATOM 917 CD LYS A 59 1.842 -9.407 1.405 1.00 0.00 C ATOM 918 CE LYS A 59 1.162 -9.106 2.732 1.00 0.00 C ATOM 919 NZ LYS A 59 1.520 -10.104 3.780 1.00 0.00 N ATOM 0 H LYS A 59 3.377 -6.469 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 59 4.124 -9.177 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.815 -7.977 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.934 -9.668 -1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.816 -7.374 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.430 -8.321 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.530 -10.390 1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.922 -9.448 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.447 -8.109 3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.081 -9.098 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.036 -9.863 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.225 -11.052 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.549 -10.094 3.932 1.00 0.00 H new ATOM 933 N LYS A 60 4.903 -8.066 -3.010 1.00 0.00 N ATOM 934 CA LYS A 60 5.510 -8.387 -4.304 1.00 0.00 C ATOM 935 C LYS A 60 4.449 -8.866 -5.298 1.00 0.00 C ATOM 936 O LYS A 60 4.431 -10.034 -5.697 1.00 0.00 O ATOM 937 CB LYS A 60 6.614 -9.442 -4.143 1.00 0.00 C ATOM 938 CG LYS A 60 7.734 -9.017 -3.207 1.00 0.00 C ATOM 939 CD LYS A 60 8.569 -7.894 -3.802 1.00 0.00 C ATOM 940 CE LYS A 60 9.711 -7.494 -2.880 1.00 0.00 C ATOM 941 NZ LYS A 60 9.224 -6.884 -1.609 1.00 0.00 N ATOM 0 H LYS A 60 4.962 -7.081 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 60 5.963 -7.477 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.171 -10.365 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.036 -9.665 -5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.310 -8.691 -2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.374 -9.873 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.972 -8.210 -4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.934 -7.029 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.315 -8.372 -2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.360 -6.786 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.947 -6.237 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.347 -6.355 -1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.037 -7.634 -0.913 1.00 0.00 H new ATOM 955 N LEU A 61 3.559 -7.949 -5.682 1.00 0.00 N ATOM 956 CA LEU A 61 2.487 -8.264 -6.631 1.00 0.00 C ATOM 957 C LEU A 61 1.816 -6.999 -7.183 1.00 0.00 C ATOM 958 O LEU A 61 0.638 -7.023 -7.542 1.00 0.00 O ATOM 959 CB LEU A 61 1.447 -9.176 -5.966 1.00 0.00 C ATOM 960 CG LEU A 61 1.141 -8.860 -4.493 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.520 -7.480 -4.350 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.224 -9.918 -3.901 1.00 0.00 C ATOM 0 H LEU A 61 3.558 -6.984 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 61 2.937 -8.785 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.519 -9.115 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.795 -10.207 -6.034 1.00 0.00 H new ATOM 0 HG LEU A 61 2.082 -8.867 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.313 -7.281 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.211 -6.729 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.410 -7.439 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.018 -9.678 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.712 -9.942 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.707 -10.893 -3.961 1.00 0.00 H new ATOM 974 N TYR A 62 2.575 -5.906 -7.272 1.00 0.00 N ATOM 975 CA TYR A 62 2.055 -4.636 -7.784 1.00 0.00 C ATOM 976 C TYR A 62 1.568 -4.745 -9.238 1.00 0.00 C ATOM 977 O TYR A 62 0.806 -3.896 -9.702 1.00 0.00 O ATOM 978 CB TYR A 62 3.143 -3.560 -7.675 1.00 0.00 C ATOM 979 CG TYR A 62 2.703 -2.182 -8.121 1.00 0.00 C ATOM 980 CD1 TYR A 62 2.000 -1.348 -7.264 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.000 -1.715 -9.397 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.602 -0.089 -7.665 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.606 -0.457 -9.803 1.00 0.00 C ATOM 984 CZ TYR A 62 1.906 0.353 -8.935 1.00 0.00 C ATOM 985 OH TYR A 62 1.511 1.608 -9.338 1.00 0.00 O ATOM 0 H TYR A 62 3.556 -5.874 -6.995 1.00 0.00 H new ATOM 0 HA TYR A 62 1.192 -4.363 -7.177 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.480 -3.504 -6.640 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.001 -3.866 -8.273 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.760 -1.689 -6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.548 -2.347 -10.080 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.054 0.548 -6.986 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.845 -0.108 -10.797 1.00 0.00 H new ATOM 0 HH TYR A 62 1.806 1.763 -10.260 1.00 0.00 H new ATOM 995 N ASN A 63 1.998 -5.792 -9.949 1.00 0.00 N ATOM 996 CA ASN A 63 1.620 -5.987 -11.351 1.00 0.00 C ATOM 997 C ASN A 63 0.131 -6.317 -11.527 1.00 0.00 C ATOM 998 O ASN A 63 -0.630 -5.497 -12.047 1.00 0.00 O ATOM 999 CB ASN A 63 2.474 -7.091 -11.986 1.00 0.00 C ATOM 1000 CG ASN A 63 3.942 -6.713 -12.078 1.00 0.00 C ATOM 1001 OD1 ASN A 63 4.370 -6.081 -13.044 1.00 0.00 O ATOM 1002 ND2 ASN A 63 4.724 -7.101 -11.074 1.00 0.00 N ATOM 0 H ASN A 63 2.609 -6.518 -9.575 1.00 0.00 H new ATOM 0 HA ASN A 63 1.803 -5.039 -11.857 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.374 -8.005 -11.400 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.095 -7.309 -12.985 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.719 -6.876 -11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.329 -7.623 -10.292 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.283 -7.511 -11.092 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.675 -7.948 -11.252 1.00 0.00 C ATOM 1011 C GLN A 64 -2.567 -7.568 -10.066 1.00 0.00 C ATOM 1012 O GLN A 64 -3.777 -7.792 -10.128 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.732 -9.460 -11.475 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.208 -9.898 -12.834 1.00 0.00 C ATOM 1015 CD GLN A 64 -1.338 -11.394 -13.060 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -1.298 -12.185 -12.116 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -1.486 -11.794 -14.319 1.00 0.00 N ATOM 0 H GLN A 64 0.321 -8.190 -10.629 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.064 -7.424 -12.125 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.153 -9.955 -10.695 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.764 -9.795 -11.368 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.752 -9.368 -13.616 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.160 -9.611 -12.924 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.514 -11.107 -15.072 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.571 -12.788 -14.532 1.00 0.00 H new ATOM 1026 N ALA A 65 -2.014 -7.005 -8.994 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.840 -6.650 -7.837 1.00 0.00 C ATOM 1028 C ALA A 65 -3.821 -5.516 -8.160 1.00 0.00 C ATOM 1029 O ALA A 65 -4.905 -5.449 -7.581 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.971 -6.284 -6.647 1.00 0.00 C ATOM 0 H ALA A 65 -1.022 -6.788 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.431 -7.529 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.605 -6.024 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.341 -7.133 -6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.342 -5.432 -6.904 1.00 0.00 H new ATOM 1036 N ARG A 66 -3.440 -4.636 -9.089 1.00 0.00 N ATOM 1037 CA ARG A 66 -4.291 -3.511 -9.483 1.00 0.00 C ATOM 1038 C ARG A 66 -5.367 -3.932 -10.489 1.00 0.00 C ATOM 1039 O ARG A 66 -6.422 -3.300 -10.570 1.00 0.00 O ATOM 1040 CB ARG A 66 -3.442 -2.385 -10.081 1.00 0.00 C ATOM 1041 CG ARG A 66 -2.461 -1.765 -9.097 1.00 0.00 C ATOM 1042 CD ARG A 66 -1.435 -0.894 -9.807 1.00 0.00 C ATOM 1043 NE ARG A 66 -0.571 -1.679 -10.690 1.00 0.00 N ATOM 1044 CZ ARG A 66 0.137 -1.168 -11.699 1.00 0.00 C ATOM 1045 NH1 ARG A 66 0.112 0.139 -11.954 1.00 0.00 N ATOM 1046 NH2 ARG A 66 0.884 -1.969 -12.454 1.00 0.00 N ATOM 0 H ARG A 66 -2.548 -4.681 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.792 -3.155 -8.583 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.888 -2.775 -10.935 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.104 -1.606 -10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.006 -1.166 -8.367 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.950 -2.554 -8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.949 -0.128 -10.388 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.824 -0.376 -9.067 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.506 -2.683 -10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.453 0.761 -11.375 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.657 0.518 -12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.914 -2.970 -12.261 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.427 -1.582 -13.226 1.00 0.00 H new ATOM 1060 N VAL A 67 -5.099 -4.993 -11.259 1.00 0.00 N ATOM 1061 CA VAL A 67 -6.057 -5.478 -12.255 1.00 0.00 C ATOM 1062 C VAL A 67 -7.019 -6.509 -11.658 1.00 0.00 C ATOM 1063 O VAL A 67 -8.215 -6.494 -11.956 1.00 0.00 O ATOM 1064 CB VAL A 67 -5.352 -6.092 -13.490 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -4.490 -5.053 -14.191 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -4.518 -7.308 -13.104 1.00 0.00 C ATOM 0 H VAL A 67 -4.232 -5.528 -11.211 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.625 -4.605 -12.577 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.126 -6.423 -14.183 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.004 -5.506 -15.055 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.116 -4.223 -14.520 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.731 -4.684 -13.501 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.036 -7.716 -13.993 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.757 -7.013 -12.382 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.164 -8.066 -12.661 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.492 -7.401 -10.816 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.303 -8.439 -10.178 1.00 0.00 C ATOM 1078 C LYS A 68 -8.230 -7.846 -9.118 1.00 0.00 C ATOM 1079 O LYS A 68 -9.339 -8.338 -8.913 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.405 -9.502 -9.540 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.581 -10.295 -10.546 1.00 0.00 C ATOM 1082 CD LYS A 68 -6.460 -11.135 -11.463 1.00 0.00 C ATOM 1083 CE LYS A 68 -5.640 -11.832 -12.542 1.00 0.00 C ATOM 1084 NZ LYS A 68 -4.655 -12.794 -11.972 1.00 0.00 N ATOM 0 H LYS A 68 -5.505 -7.425 -10.560 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.916 -8.901 -10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.731 -9.018 -8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.025 -10.192 -8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.982 -9.610 -11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.886 -10.945 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.995 -11.880 -10.873 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.212 -10.499 -11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.310 -12.361 -13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.113 -11.084 -13.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.193 -13.316 -12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.937 -12.274 -11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.146 -13.464 -11.346 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.764 -6.795 -8.441 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.553 -6.138 -7.404 1.00 0.00 C ATOM 1100 C TYR A 69 -8.780 -4.664 -7.737 1.00 0.00 C ATOM 1101 O TYR A 69 -8.027 -4.069 -8.508 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.856 -6.275 -6.049 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.908 -7.677 -5.485 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -9.004 -8.106 -4.749 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -6.865 -8.571 -5.690 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -9.060 -9.385 -4.234 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -6.914 -9.853 -5.177 1.00 0.00 C ATOM 1108 CZ TYR A 69 -8.013 -10.254 -4.448 1.00 0.00 C ATOM 1109 OH TYR A 69 -8.069 -11.531 -3.934 1.00 0.00 O ATOM 0 H TYR A 69 -6.844 -6.382 -8.594 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.526 -6.626 -7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.814 -5.972 -6.153 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.319 -5.589 -5.340 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.826 -7.428 -4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.002 -8.259 -6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.921 -9.703 -3.665 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.096 -10.537 -5.346 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.187 -11.785 -3.591 1.00 0.00 H new ATOM 1119 N SER A 70 -9.826 -4.083 -7.148 1.00 0.00 N ATOM 1120 CA SER A 70 -10.159 -2.680 -7.386 1.00 0.00 C ATOM 1121 C SER A 70 -9.269 -1.753 -6.556 1.00 0.00 C ATOM 1122 O SER A 70 -9.552 -1.489 -5.385 1.00 0.00 O ATOM 1123 CB SER A 70 -11.637 -2.425 -7.062 1.00 0.00 C ATOM 1124 OG SER A 70 -12.002 -1.087 -7.358 1.00 0.00 O ATOM 0 H SER A 70 -10.455 -4.562 -6.504 1.00 0.00 H new ATOM 0 HA SER A 70 -9.982 -2.464 -8.440 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.261 -3.111 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.822 -2.631 -6.008 1.00 0.00 H new ATOM 0 HG SER A 70 -12.949 -0.951 -7.144 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.184 -1.275 -7.169 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.252 -0.370 -6.495 1.00 0.00 C ATOM 1132 C LEU A 71 -7.221 0.985 -7.198 1.00 0.00 C ATOM 1133 O LEU A 71 -7.729 1.973 -6.665 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.843 -0.976 -6.451 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.650 -2.122 -5.454 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.422 -3.357 -5.890 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.174 -2.446 -5.296 1.00 0.00 C ATOM 0 H LEU A 71 -7.930 -1.500 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.598 -0.226 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.591 -1.338 -7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.133 -0.185 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.041 -1.801 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.269 -4.157 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.484 -3.120 -5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.067 -3.681 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.055 -3.263 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.761 -2.742 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.645 -1.566 -4.930 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.631 1.026 -8.394 1.00 0.00 N ATOM 1150 CA LEU A 72 -6.541 2.264 -9.164 1.00 0.00 C ATOM 1151 C LEU A 72 -7.640 2.316 -10.220 1.00 0.00 C ATOM 1152 O LEU A 72 -7.490 1.769 -11.315 1.00 0.00 O ATOM 1153 CB LEU A 72 -5.162 2.395 -9.828 1.00 0.00 C ATOM 1154 CG LEU A 72 -3.985 2.629 -8.874 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -4.227 3.856 -8.007 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -3.738 1.402 -8.010 1.00 0.00 C ATOM 0 H LEU A 72 -6.209 0.216 -8.848 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.674 3.100 -8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.967 1.488 -10.401 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.199 3.220 -10.540 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.094 2.808 -9.475 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.379 4.002 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.343 4.734 -8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.133 3.712 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.898 1.591 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.630 1.186 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.509 0.548 -8.648 1.00 0.00 H new ATOM 1168 N GLU A 73 -8.749 2.970 -9.878 1.00 0.00 N ATOM 1169 CA GLU A 73 -9.882 3.092 -10.791 1.00 0.00 C ATOM 1170 C GLU A 73 -10.042 4.536 -11.269 1.00 0.00 C ATOM 1171 O GLU A 73 -10.510 5.380 -10.474 1.00 0.00 O ATOM 1172 CB GLU A 73 -11.170 2.611 -10.109 1.00 0.00 C ATOM 1173 CG GLU A 73 -11.048 1.238 -9.460 1.00 0.00 C ATOM 1174 CD GLU A 73 -10.509 0.180 -10.406 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -11.199 -0.139 -11.397 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -9.399 -0.333 -10.152 1.00 0.00 O ATOM 0 H GLU A 73 -8.886 3.423 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.689 2.464 -11.660 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.460 3.337 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.972 2.584 -10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.392 1.309 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.027 0.927 -9.095 1.00 0.00 H new TER 1183 GLU A 73