USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 587 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 27 GLN : amide:sc= -0.173 X(o=-0.66,f=-0.91) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.482 K(o=-0.66,f=-2.6) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -176:sc= 0.825 (180deg=0) USER MOD Set 2.2: A 11 THR OG1 : rot 27:sc= 1.01 USER MOD Set 3.1: A 5 CYS SG : rot 35:sc= -4.55! USER MOD Set 3.2: A 12 HIS : no HD1:sc= -0.222 K(o=-4.5,f=-5.3) USER MOD Set 3.3: A 34 THR OG1 : rot -17:sc= 0.264 USER MOD Single : A 1 TRP N :NH3+ -107:sc= -0.093 (180deg=-0.731!) USER MOD Single : A 15 GLN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0735 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -110:sc= -0.169 USER MOD Single : A 29 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0772 USER MOD Single : A 47 TYR OH : rot 165:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -44:sc= 0.437 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.69) USER MOD Single : A 68 SER OG : rot 36:sc= 0.249 USER MOD Single : A 71 MET CE :methyl -127:sc= -1.8 (180deg=-6.26!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.385 -0.561 -1.058 1.00 0.00 N ATOM 2 CA TRP A 1 2.414 -0.110 -2.020 1.00 0.00 C ATOM 3 C TRP A 1 3.804 -0.428 -1.453 1.00 0.00 C ATOM 4 O TRP A 1 4.406 0.397 -0.745 1.00 0.00 O ATOM 5 CB TRP A 1 2.311 1.415 -2.320 1.00 0.00 C ATOM 6 CG TRP A 1 1.039 1.889 -2.975 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.233 1.497 -2.700 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.932 2.902 -3.990 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.123 2.186 -3.482 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.429 3.058 -4.283 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.868 3.681 -4.680 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -0.889 3.969 -5.229 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.410 4.584 -5.618 1.00 0.00 C ATOM 14 CH2 TRP A 1 0.047 4.720 -5.889 1.00 0.00 C ATOM 0 H1 TRP A 1 0.916 -1.413 -1.426 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.834 -0.779 -0.146 1.00 0.00 H new ATOM 0 H3 TRP A 1 0.680 0.192 -0.925 1.00 0.00 H new ATOM 0 HA TRP A 1 2.251 -0.640 -2.959 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.433 1.956 -1.382 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.148 1.694 -2.960 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.504 0.749 -1.969 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.136 2.070 -3.471 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.925 3.578 -4.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -1.943 4.080 -5.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 2.120 5.197 -6.153 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.276 5.432 -6.634 1.00 0.00 H new ATOM 27 N ARG A 2 4.277 -1.652 -1.710 1.00 0.00 N ATOM 28 CA ARG A 2 5.653 -2.059 -1.394 1.00 0.00 C ATOM 29 C ARG A 2 6.567 -1.688 -2.579 1.00 0.00 C ATOM 30 O ARG A 2 6.966 -2.543 -3.375 1.00 0.00 O ATOM 31 CB ARG A 2 5.721 -3.577 -1.046 1.00 0.00 C ATOM 32 CG ARG A 2 4.984 -3.965 0.259 1.00 0.00 C ATOM 33 CD ARG A 2 5.260 -5.415 0.693 1.00 0.00 C ATOM 34 NE ARG A 2 4.598 -5.743 1.973 1.00 0.00 N ATOM 35 CZ ARG A 2 5.159 -6.414 2.995 1.00 0.00 C ATOM 36 NH1 ARG A 2 6.411 -6.857 2.918 1.00 0.00 N ATOM 37 NH2 ARG A 2 4.461 -6.630 4.098 1.00 0.00 N ATOM 0 H ARG A 2 3.719 -2.388 -2.142 1.00 0.00 H new ATOM 0 HA ARG A 2 6.002 -1.528 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.296 -4.147 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.767 -3.872 -0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.288 -3.288 1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.911 -3.831 0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.911 -6.098 -0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.335 -5.566 0.791 1.00 0.00 H new ATOM 0 HE ARG A 2 3.633 -5.434 2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.960 -6.689 2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.822 -7.364 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.503 -6.288 4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.881 -7.138 4.876 1.00 0.00 H new ATOM 51 N VAL A 3 6.845 -0.374 -2.702 1.00 0.00 N ATOM 52 CA VAL A 3 7.590 0.204 -3.834 1.00 0.00 C ATOM 53 C VAL A 3 9.105 0.159 -3.567 1.00 0.00 C ATOM 54 O VAL A 3 9.554 0.446 -2.456 1.00 0.00 O ATOM 55 CB VAL A 3 7.132 1.684 -4.119 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.802 2.251 -5.392 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.589 1.778 -4.214 1.00 0.00 C ATOM 0 H VAL A 3 6.556 0.319 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 3 7.372 -0.397 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 3 7.457 2.296 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.462 3.274 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.885 2.244 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.532 1.636 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.299 2.810 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.235 1.140 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.146 1.450 -3.274 1.00 0.00 H new ATOM 67 N ARG A 4 9.874 -0.194 -4.604 1.00 0.00 N ATOM 68 CA ARG A 4 11.333 -0.362 -4.515 1.00 0.00 C ATOM 69 C ARG A 4 12.048 0.968 -4.810 1.00 0.00 C ATOM 70 O ARG A 4 11.486 1.847 -5.473 1.00 0.00 O ATOM 71 CB ARG A 4 11.783 -1.444 -5.526 1.00 0.00 C ATOM 72 CG ARG A 4 11.076 -2.806 -5.360 1.00 0.00 C ATOM 73 CD ARG A 4 11.407 -3.786 -6.493 1.00 0.00 C ATOM 74 NE ARG A 4 10.730 -5.084 -6.311 1.00 0.00 N ATOM 75 CZ ARG A 4 9.994 -5.725 -7.237 1.00 0.00 C ATOM 76 NH1 ARG A 4 9.801 -5.195 -8.439 1.00 0.00 N ATOM 77 NH2 ARG A 4 9.452 -6.895 -6.943 1.00 0.00 N ATOM 0 H ARG A 4 9.500 -0.373 -5.536 1.00 0.00 H new ATOM 0 HA ARG A 4 11.597 -0.674 -3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.604 -1.076 -6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.858 -1.592 -5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.366 -3.248 -4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.998 -2.649 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.109 -3.352 -7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.485 -3.941 -6.536 1.00 0.00 H new ATOM 0 HE ARG A 4 10.829 -5.536 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.213 -4.291 -8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.241 -5.692 -9.132 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.593 -7.305 -6.020 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.893 -7.387 -7.639 1.00 0.00 H new ATOM 91 N CYS A 5 13.297 1.091 -4.339 1.00 0.00 N ATOM 92 CA CYS A 5 14.140 2.264 -4.594 1.00 0.00 C ATOM 93 C CYS A 5 15.596 1.820 -4.788 1.00 0.00 C ATOM 94 O CYS A 5 16.213 1.267 -3.871 1.00 0.00 O ATOM 95 CB CYS A 5 14.037 3.293 -3.441 1.00 0.00 C ATOM 96 SG CYS A 5 14.718 2.721 -1.872 1.00 0.00 S ATOM 0 H CYS A 5 13.751 0.377 -3.769 1.00 0.00 H new ATOM 0 HA CYS A 5 13.787 2.751 -5.503 1.00 0.00 H new ATOM 0 HB2 CYS A 5 14.554 4.206 -3.737 1.00 0.00 H new ATOM 0 HB3 CYS A 5 12.989 3.554 -3.295 1.00 0.00 H new ATOM 0 HG CYS A 5 15.749 1.961 -2.097 1.00 0.00 H new ATOM 102 N LYS A 6 16.117 2.017 -6.004 1.00 0.00 N ATOM 103 CA LYS A 6 17.533 1.802 -6.319 1.00 0.00 C ATOM 104 C LYS A 6 18.333 3.016 -5.819 1.00 0.00 C ATOM 105 O LYS A 6 18.206 4.110 -6.380 1.00 0.00 O ATOM 106 CB LYS A 6 17.725 1.627 -7.850 1.00 0.00 C ATOM 107 CG LYS A 6 19.166 1.260 -8.282 1.00 0.00 C ATOM 108 CD LYS A 6 19.561 -0.196 -7.930 1.00 0.00 C ATOM 109 CE LYS A 6 18.770 -1.232 -8.753 1.00 0.00 C ATOM 110 NZ LYS A 6 19.237 -2.625 -8.509 1.00 0.00 N ATOM 0 H LYS A 6 15.565 2.332 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 6 17.887 0.895 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.046 0.850 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.435 2.553 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.263 1.405 -9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.866 1.945 -7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.628 -0.333 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.388 -0.370 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.711 -1.158 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.866 -1.000 -9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.722 -3.278 -9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.256 -2.689 -8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.059 -2.882 -7.517 1.00 0.00 H new ATOM 124 N ALA A 7 19.132 2.825 -4.762 1.00 0.00 N ATOM 125 CA ALA A 7 19.856 3.917 -4.100 1.00 0.00 C ATOM 126 C ALA A 7 21.279 3.469 -3.735 1.00 0.00 C ATOM 127 O ALA A 7 21.468 2.700 -2.781 1.00 0.00 O ATOM 128 CB ALA A 7 19.060 4.377 -2.872 1.00 0.00 C ATOM 0 H ALA A 7 19.295 1.910 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 7 19.955 4.765 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.593 5.188 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.077 4.727 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.944 3.543 -2.180 1.00 0.00 H new ATOM 170 N THR A 11 19.079 -1.669 -3.245 1.00 0.00 N ATOM 171 CA THR A 11 17.686 -1.780 -3.654 1.00 0.00 C ATOM 172 C THR A 11 16.824 -2.001 -2.393 1.00 0.00 C ATOM 173 O THR A 11 16.660 -3.133 -1.914 1.00 0.00 O ATOM 174 CB THR A 11 17.509 -2.940 -4.688 1.00 0.00 C ATOM 175 OG1 THR A 11 18.528 -2.831 -5.698 1.00 0.00 O ATOM 176 CG2 THR A 11 16.121 -2.920 -5.356 1.00 0.00 C ATOM 0 HA THR A 11 17.363 -0.864 -4.149 1.00 0.00 H new ATOM 0 HB THR A 11 17.599 -3.883 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.312 -2.378 -5.324 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.047 -3.744 -6.065 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.349 -3.026 -4.594 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.984 -1.975 -5.882 1.00 0.00 H new ATOM 184 N HIS A 12 16.333 -0.886 -1.831 1.00 0.00 N ATOM 185 CA HIS A 12 15.593 -0.871 -0.566 1.00 0.00 C ATOM 186 C HIS A 12 14.091 -0.932 -0.863 1.00 0.00 C ATOM 187 O HIS A 12 13.661 -0.602 -1.975 1.00 0.00 O ATOM 188 CB HIS A 12 15.930 0.405 0.247 1.00 0.00 C ATOM 189 CG HIS A 12 17.410 0.671 0.429 1.00 0.00 C ATOM 190 ND1 HIS A 12 18.075 1.692 -0.220 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.340 0.064 1.210 1.00 0.00 C ATOM 192 CE1 HIS A 12 19.341 1.693 0.144 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.530 0.719 1.007 1.00 0.00 N ATOM 0 H HIS A 12 16.441 0.038 -2.248 1.00 0.00 H new ATOM 0 HA HIS A 12 15.882 -1.737 0.030 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.479 1.264 -0.249 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.466 0.325 1.230 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.175 -0.777 1.868 1.00 0.00 H new ATOM 0 HE1 HIS A 12 20.097 2.379 -0.208 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.417 0.487 1.454 1.00 0.00 H new ATOM 202 N LEU A 13 13.297 -1.321 0.136 1.00 0.00 N ATOM 203 CA LEU A 13 11.850 -1.524 -0.022 1.00 0.00 C ATOM 204 C LEU A 13 11.114 -0.555 0.923 1.00 0.00 C ATOM 205 O LEU A 13 11.272 -0.632 2.145 1.00 0.00 O ATOM 206 CB LEU A 13 11.507 -3.028 0.264 1.00 0.00 C ATOM 207 CG LEU A 13 10.101 -3.580 -0.173 1.00 0.00 C ATOM 208 CD1 LEU A 13 8.951 -3.074 0.722 1.00 0.00 C ATOM 209 CD2 LEU A 13 9.834 -3.282 -1.663 1.00 0.00 C ATOM 0 H LEU A 13 13.637 -1.505 1.080 1.00 0.00 H new ATOM 0 HA LEU A 13 11.525 -1.308 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.267 -3.638 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.607 -3.191 1.337 1.00 0.00 H new ATOM 0 HG LEU A 13 10.131 -4.661 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.007 -3.489 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.125 -3.389 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.908 -1.986 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.856 -3.673 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.855 -2.205 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.603 -3.757 -2.273 1.00 0.00 H new ATOM 221 N LEU A 14 10.359 0.387 0.335 1.00 0.00 N ATOM 222 CA LEU A 14 9.475 1.304 1.075 1.00 0.00 C ATOM 223 C LEU A 14 8.038 0.776 1.016 1.00 0.00 C ATOM 224 O LEU A 14 7.546 0.409 -0.057 1.00 0.00 O ATOM 225 CB LEU A 14 9.512 2.754 0.502 1.00 0.00 C ATOM 226 CG LEU A 14 10.840 3.556 0.692 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.973 3.027 -0.204 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.615 5.072 0.479 1.00 0.00 C ATOM 0 H LEU A 14 10.344 0.535 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 14 9.831 1.346 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.297 2.703 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.704 3.322 0.963 1.00 0.00 H new ATOM 0 HG LEU A 14 11.157 3.406 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.875 3.616 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.171 1.983 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.677 3.107 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.557 5.603 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.246 5.247 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.884 5.436 1.200 1.00 0.00 H new ATOM 240 N GLN A 15 7.379 0.742 2.176 1.00 0.00 N ATOM 241 CA GLN A 15 5.955 0.400 2.295 1.00 0.00 C ATOM 242 C GLN A 15 5.291 1.344 3.306 1.00 0.00 C ATOM 243 O GLN A 15 5.974 2.137 3.972 1.00 0.00 O ATOM 244 CB GLN A 15 5.772 -1.093 2.682 1.00 0.00 C ATOM 245 CG GLN A 15 6.401 -1.503 4.023 1.00 0.00 C ATOM 246 CD GLN A 15 6.175 -2.979 4.358 1.00 0.00 C ATOM 247 OE1 GLN A 15 5.177 -3.344 4.985 1.00 0.00 O ATOM 248 NE2 GLN A 15 7.094 -3.841 3.935 1.00 0.00 N ATOM 0 H GLN A 15 7.821 0.953 3.071 1.00 0.00 H new ATOM 0 HA GLN A 15 5.466 0.532 1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.705 -1.315 2.716 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.201 -1.711 1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.472 -1.302 3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.983 -0.886 4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.908 -3.507 3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.985 -4.837 4.126 1.00 0.00 H new ATOM 257 N GLY A 16 3.961 1.252 3.417 1.00 0.00 N ATOM 258 CA GLY A 16 3.168 2.241 4.156 1.00 0.00 C ATOM 259 C GLY A 16 2.834 3.452 3.301 1.00 0.00 C ATOM 260 O GLY A 16 2.376 4.480 3.814 1.00 0.00 O ATOM 0 H GLY A 16 3.410 0.500 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.245 1.778 4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.719 2.561 5.040 1.00 0.00 H new ATOM 264 N LEU A 17 3.070 3.320 1.983 1.00 0.00 N ATOM 265 CA LEU A 17 2.764 4.361 1.003 1.00 0.00 C ATOM 266 C LEU A 17 1.289 4.266 0.600 1.00 0.00 C ATOM 267 O LEU A 17 0.856 3.263 0.030 1.00 0.00 O ATOM 268 CB LEU A 17 3.677 4.220 -0.241 1.00 0.00 C ATOM 269 CG LEU A 17 5.209 4.383 0.012 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.027 4.156 -1.282 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.514 5.765 0.627 1.00 0.00 C ATOM 0 H LEU A 17 3.481 2.481 1.573 1.00 0.00 H new ATOM 0 HA LEU A 17 2.950 5.338 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.505 3.239 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.370 4.962 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 17 5.512 3.616 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.089 4.278 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.845 3.148 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.724 4.882 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.587 5.859 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.184 6.548 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.987 5.865 1.576 1.00 0.00 H new ATOM 283 N SER A 18 0.534 5.310 0.935 1.00 0.00 N ATOM 284 CA SER A 18 -0.867 5.470 0.513 1.00 0.00 C ATOM 285 C SER A 18 -0.911 5.979 -0.942 1.00 0.00 C ATOM 286 O SER A 18 0.131 6.307 -1.527 1.00 0.00 O ATOM 287 CB SER A 18 -1.586 6.468 1.458 1.00 0.00 C ATOM 288 OG SER A 18 -2.976 6.573 1.166 1.00 0.00 O ATOM 0 H SER A 18 0.875 6.079 1.512 1.00 0.00 H new ATOM 0 HA SER A 18 -1.378 4.509 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.456 6.146 2.491 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.122 7.450 1.369 1.00 0.00 H new ATOM 0 HG SER A 18 -3.393 7.209 1.784 1.00 0.00 H new ATOM 294 N SER A 19 -2.116 6.052 -1.514 1.00 0.00 N ATOM 295 CA SER A 19 -2.327 6.648 -2.840 1.00 0.00 C ATOM 296 C SER A 19 -1.979 8.152 -2.821 1.00 0.00 C ATOM 297 O SER A 19 -1.435 8.693 -3.793 1.00 0.00 O ATOM 298 CB SER A 19 -3.792 6.427 -3.269 1.00 0.00 C ATOM 299 OG SER A 19 -4.703 6.901 -2.288 1.00 0.00 O ATOM 0 H SER A 19 -2.969 5.703 -1.076 1.00 0.00 H new ATOM 0 HA SER A 19 -1.668 6.166 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.976 6.938 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.964 5.365 -3.443 1.00 0.00 H new ATOM 0 HG SER A 19 -5.622 6.747 -2.593 1.00 0.00 H new ATOM 305 N ARG A 20 -2.280 8.810 -1.682 1.00 0.00 N ATOM 306 CA ARG A 20 -2.088 10.265 -1.511 1.00 0.00 C ATOM 307 C ARG A 20 -0.854 10.590 -0.633 1.00 0.00 C ATOM 308 O ARG A 20 -0.845 11.605 0.081 1.00 0.00 O ATOM 309 CB ARG A 20 -3.375 10.904 -0.904 1.00 0.00 C ATOM 310 CG ARG A 20 -4.687 10.600 -1.664 1.00 0.00 C ATOM 311 CD ARG A 20 -5.915 11.305 -1.046 1.00 0.00 C ATOM 312 NE ARG A 20 -6.066 11.011 0.396 1.00 0.00 N ATOM 313 CZ ARG A 20 -7.047 11.479 1.190 1.00 0.00 C ATOM 314 NH1 ARG A 20 -8.083 12.141 0.689 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.997 11.246 2.493 1.00 0.00 N ATOM 0 H ARG A 20 -2.662 8.348 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.902 10.693 -2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.482 10.558 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.240 11.985 -0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.580 10.911 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.857 9.523 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.822 12.382 -1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.815 10.991 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.368 10.403 0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.147 12.304 -0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.815 12.487 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.220 10.716 2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.736 11.597 3.103 1.00 0.00 H new ATOM 329 N THR A 21 0.198 9.755 -0.720 1.00 0.00 N ATOM 330 CA THR A 21 1.495 10.051 -0.079 1.00 0.00 C ATOM 331 C THR A 21 2.168 11.239 -0.809 1.00 0.00 C ATOM 332 O THR A 21 2.538 11.136 -1.985 1.00 0.00 O ATOM 333 CB THR A 21 2.429 8.802 -0.089 1.00 0.00 C ATOM 334 OG1 THR A 21 1.778 7.711 0.558 1.00 0.00 O ATOM 335 CG2 THR A 21 3.780 9.053 0.592 1.00 0.00 C ATOM 0 H THR A 21 0.176 8.870 -1.227 1.00 0.00 H new ATOM 0 HA THR A 21 1.318 10.318 0.963 1.00 0.00 H new ATOM 0 HB THR A 21 2.631 8.571 -1.135 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.222 7.525 1.412 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.382 8.145 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.303 9.859 0.077 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.616 9.333 1.633 1.00 0.00 H new ATOM 343 N ARG A 22 2.282 12.366 -0.092 1.00 0.00 N ATOM 344 CA ARG A 22 2.785 13.650 -0.629 1.00 0.00 C ATOM 345 C ARG A 22 4.328 13.641 -0.750 1.00 0.00 C ATOM 346 O ARG A 22 4.954 12.655 -0.385 1.00 0.00 O ATOM 347 CB ARG A 22 2.292 14.780 0.313 1.00 0.00 C ATOM 348 CG ARG A 22 0.760 14.758 0.551 1.00 0.00 C ATOM 349 CD ARG A 22 0.281 15.831 1.538 1.00 0.00 C ATOM 350 NE ARG A 22 0.822 15.634 2.899 1.00 0.00 N ATOM 351 CZ ARG A 22 0.954 16.603 3.814 1.00 0.00 C ATOM 352 NH1 ARG A 22 0.666 17.859 3.520 1.00 0.00 N ATOM 353 NH2 ARG A 22 1.391 16.312 5.024 1.00 0.00 N ATOM 0 H ARG A 22 2.025 12.418 0.894 1.00 0.00 H new ATOM 0 HA ARG A 22 2.402 13.814 -1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.803 14.692 1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.573 15.744 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.250 14.898 -0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.472 13.776 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.577 16.814 1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.808 15.821 1.579 1.00 0.00 H new ATOM 0 HE ARG A 22 1.116 14.693 3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.338 18.102 2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.772 18.586 4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.628 15.349 5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.492 17.050 5.721 1.00 0.00 H new ATOM 367 N LEU A 23 4.929 14.747 -1.265 1.00 0.00 N ATOM 368 CA LEU A 23 6.411 14.880 -1.428 1.00 0.00 C ATOM 369 C LEU A 23 7.112 14.686 -0.079 1.00 0.00 C ATOM 370 O LEU A 23 7.990 13.833 0.070 1.00 0.00 O ATOM 371 CB LEU A 23 6.774 16.277 -2.049 1.00 0.00 C ATOM 372 CG LEU A 23 8.310 16.642 -2.265 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.489 17.685 -3.392 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.999 17.184 -0.981 1.00 0.00 C ATOM 0 H LEU A 23 4.409 15.567 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 23 6.758 14.105 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.278 16.347 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.338 17.046 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 23 8.789 15.702 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.548 17.912 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.095 17.283 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.950 18.597 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.043 17.413 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.490 18.089 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.948 16.430 -0.195 1.00 0.00 H new ATOM 386 N ARG A 24 6.683 15.490 0.898 1.00 0.00 N ATOM 387 CA ARG A 24 7.301 15.547 2.236 1.00 0.00 C ATOM 388 C ARG A 24 7.056 14.253 3.050 1.00 0.00 C ATOM 389 O ARG A 24 7.703 14.021 4.080 1.00 0.00 O ATOM 390 CB ARG A 24 6.802 16.835 2.956 1.00 0.00 C ATOM 391 CG ARG A 24 5.258 16.985 3.127 1.00 0.00 C ATOM 392 CD ARG A 24 4.706 16.241 4.363 1.00 0.00 C ATOM 393 NE ARG A 24 5.475 16.583 5.569 1.00 0.00 N ATOM 394 CZ ARG A 24 5.528 15.863 6.699 1.00 0.00 C ATOM 395 NH1 ARG A 24 4.810 14.766 6.856 1.00 0.00 N ATOM 396 NH2 ARG A 24 6.312 16.257 7.681 1.00 0.00 N ATOM 0 H ARG A 24 5.893 16.125 0.787 1.00 0.00 H new ATOM 0 HA ARG A 24 8.385 15.604 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.260 16.872 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.169 17.699 2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.009 18.043 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.762 16.608 2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.657 16.500 4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.748 15.165 4.193 1.00 0.00 H new ATOM 0 HE ARG A 24 6.017 17.446 5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.196 14.447 6.107 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.870 14.238 7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.872 17.103 7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.359 15.716 8.544 1.00 0.00 H new ATOM 410 N GLU A 25 6.102 13.430 2.574 1.00 0.00 N ATOM 411 CA GLU A 25 5.838 12.093 3.117 1.00 0.00 C ATOM 412 C GLU A 25 6.792 11.073 2.448 1.00 0.00 C ATOM 413 O GLU A 25 7.475 10.310 3.123 1.00 0.00 O ATOM 414 CB GLU A 25 4.363 11.683 2.833 1.00 0.00 C ATOM 415 CG GLU A 25 3.263 12.640 3.357 1.00 0.00 C ATOM 416 CD GLU A 25 3.080 12.677 4.888 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.441 11.708 5.588 1.00 0.00 O ATOM 418 OE2 GLU A 25 2.550 13.688 5.391 1.00 0.00 O ATOM 0 H GLU A 25 5.491 13.680 1.796 1.00 0.00 H new ATOM 0 HA GLU A 25 6.004 12.105 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.240 11.580 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.193 10.698 3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.491 13.649 3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.314 12.355 2.903 1.00 0.00 H new ATOM 425 N LEU A 26 6.846 11.127 1.100 1.00 0.00 N ATOM 426 CA LEU A 26 7.519 10.124 0.243 1.00 0.00 C ATOM 427 C LEU A 26 9.047 10.304 0.302 1.00 0.00 C ATOM 428 O LEU A 26 9.760 9.421 0.798 1.00 0.00 O ATOM 429 CB LEU A 26 6.944 10.236 -1.215 1.00 0.00 C ATOM 430 CG LEU A 26 7.480 9.265 -2.339 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.753 9.800 -3.023 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.687 7.830 -1.809 1.00 0.00 C ATOM 0 H LEU A 26 6.416 11.882 0.566 1.00 0.00 H new ATOM 0 HA LEU A 26 7.319 9.116 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.865 10.098 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.116 11.257 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 26 6.704 9.224 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.079 9.095 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.540 10.763 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.542 9.921 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.056 7.195 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.412 7.844 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.739 7.437 -1.443 1.00 0.00 H new ATOM 444 N GLN A 27 9.528 11.461 -0.192 1.00 0.00 N ATOM 445 CA GLN A 27 10.955 11.844 -0.116 1.00 0.00 C ATOM 446 C GLN A 27 11.412 11.993 1.349 1.00 0.00 C ATOM 447 O GLN A 27 12.613 11.925 1.637 1.00 0.00 O ATOM 448 CB GLN A 27 11.239 13.143 -0.929 1.00 0.00 C ATOM 449 CG GLN A 27 11.218 12.956 -2.463 1.00 0.00 C ATOM 450 CD GLN A 27 11.701 14.188 -3.247 1.00 0.00 C ATOM 451 OE1 GLN A 27 11.493 15.329 -2.835 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.412 13.965 -4.350 1.00 0.00 N ATOM 0 H GLN A 27 8.942 12.156 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 27 11.537 11.040 -0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.499 13.896 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.214 13.534 -0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.844 12.103 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.202 12.713 -2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.570 13.010 -4.670 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.799 14.749 -4.875 1.00 0.00 H new ATOM 461 N GLY A 28 10.430 12.180 2.252 1.00 0.00 N ATOM 462 CA GLY A 28 10.668 12.167 3.694 1.00 0.00 C ATOM 463 C GLY A 28 11.072 10.779 4.193 1.00 0.00 C ATOM 464 O GLY A 28 12.024 10.647 4.971 1.00 0.00 O ATOM 0 H GLY A 28 9.456 12.343 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.452 12.883 3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.766 12.491 4.214 1.00 0.00 H new ATOM 468 N GLN A 29 10.366 9.730 3.707 1.00 0.00 N ATOM 469 CA GLN A 29 10.665 8.332 4.087 1.00 0.00 C ATOM 470 C GLN A 29 11.962 7.867 3.420 1.00 0.00 C ATOM 471 O GLN A 29 12.723 7.137 4.031 1.00 0.00 O ATOM 472 CB GLN A 29 9.507 7.349 3.741 1.00 0.00 C ATOM 473 CG GLN A 29 8.224 7.533 4.589 1.00 0.00 C ATOM 474 CD GLN A 29 7.235 6.354 4.520 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.503 6.090 5.477 1.00 0.00 O ATOM 476 NE2 GLN A 29 7.200 5.632 3.405 1.00 0.00 N ATOM 0 H GLN A 29 9.589 9.827 3.054 1.00 0.00 H new ATOM 0 HA GLN A 29 10.781 8.320 5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.250 7.468 2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.866 6.328 3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.511 7.689 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.713 8.438 4.260 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.814 5.868 2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.559 4.842 3.329 1.00 0.00 H new ATOM 485 N ILE A 30 12.211 8.313 2.172 1.00 0.00 N ATOM 486 CA ILE A 30 13.454 7.998 1.429 1.00 0.00 C ATOM 487 C ILE A 30 14.693 8.500 2.214 1.00 0.00 C ATOM 488 O ILE A 30 15.688 7.776 2.375 1.00 0.00 O ATOM 489 CB ILE A 30 13.439 8.645 -0.008 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.291 8.050 -0.887 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.806 8.492 -0.712 1.00 0.00 C ATOM 492 CD1 ILE A 30 12.126 8.702 -2.254 1.00 0.00 C ATOM 0 H ILE A 30 11.560 8.900 1.650 1.00 0.00 H new ATOM 0 HA ILE A 30 13.510 6.915 1.319 1.00 0.00 H new ATOM 0 HB ILE A 30 13.248 9.711 0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.476 6.985 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.352 8.140 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.759 8.949 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.577 8.985 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.047 7.434 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.307 8.222 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.906 9.762 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.048 8.589 -2.825 1.00 0.00 H new ATOM 504 N ALA A 31 14.579 9.735 2.728 1.00 0.00 N ATOM 505 CA ALA A 31 15.620 10.394 3.540 1.00 0.00 C ATOM 506 C ALA A 31 15.916 9.620 4.848 1.00 0.00 C ATOM 507 O ALA A 31 16.994 9.770 5.426 1.00 0.00 O ATOM 508 CB ALA A 31 15.213 11.853 3.812 1.00 0.00 C ATOM 0 H ALA A 31 13.750 10.314 2.591 1.00 0.00 H new ATOM 0 HA ALA A 31 16.553 10.392 2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.982 12.340 4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.102 12.382 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.266 11.872 4.352 1.00 0.00 H new ATOM 514 N ALA A 32 14.937 8.820 5.311 1.00 0.00 N ATOM 515 CA ALA A 32 15.096 7.940 6.489 1.00 0.00 C ATOM 516 C ALA A 32 15.633 6.536 6.087 1.00 0.00 C ATOM 517 O ALA A 32 16.485 5.973 6.780 1.00 0.00 O ATOM 518 CB ALA A 32 13.756 7.815 7.231 1.00 0.00 C ATOM 0 H ALA A 32 14.014 8.764 4.881 1.00 0.00 H new ATOM 0 HA ALA A 32 15.833 8.391 7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.879 7.166 8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.429 8.801 7.560 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.008 7.389 6.562 1.00 0.00 H new ATOM 524 N ILE A 33 15.130 6.003 4.953 1.00 0.00 N ATOM 525 CA ILE A 33 15.417 4.627 4.479 1.00 0.00 C ATOM 526 C ILE A 33 16.889 4.503 4.027 1.00 0.00 C ATOM 527 O ILE A 33 17.692 3.796 4.648 1.00 0.00 O ATOM 528 CB ILE A 33 14.431 4.223 3.295 1.00 0.00 C ATOM 529 CG1 ILE A 33 12.948 4.070 3.793 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.890 2.944 2.550 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.652 2.824 4.620 1.00 0.00 C ATOM 0 H ILE A 33 14.506 6.519 4.333 1.00 0.00 H new ATOM 0 HA ILE A 33 15.254 3.939 5.309 1.00 0.00 H new ATOM 0 HB ILE A 33 14.466 5.047 2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.692 4.947 4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.291 4.071 2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.183 2.713 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.879 3.108 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.932 2.110 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.601 2.821 4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.868 1.935 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.275 2.824 5.514 1.00 0.00 H new ATOM 543 N THR A 34 17.226 5.221 2.948 1.00 0.00 N ATOM 544 CA THR A 34 18.556 5.161 2.315 1.00 0.00 C ATOM 545 C THR A 34 19.433 6.350 2.744 1.00 0.00 C ATOM 546 O THR A 34 20.647 6.354 2.496 1.00 0.00 O ATOM 547 CB THR A 34 18.422 5.093 0.758 1.00 0.00 C ATOM 548 OG1 THR A 34 19.715 5.131 0.129 1.00 0.00 O ATOM 549 CG2 THR A 34 17.534 6.207 0.189 1.00 0.00 C ATOM 0 H THR A 34 16.583 5.864 2.485 1.00 0.00 H new ATOM 0 HA THR A 34 19.050 4.251 2.654 1.00 0.00 H new ATOM 0 HB THR A 34 17.938 4.142 0.535 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.382 5.454 0.771 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.478 6.109 -0.895 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.533 6.127 0.613 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.959 7.178 0.444 1.00 0.00 H new ATOM 557 N GLY A 35 18.813 7.353 3.391 1.00 0.00 N ATOM 558 CA GLY A 35 19.541 8.494 3.935 1.00 0.00 C ATOM 559 C GLY A 35 19.865 9.571 2.910 1.00 0.00 C ATOM 560 O GLY A 35 20.621 10.501 3.221 1.00 0.00 O ATOM 0 H GLY A 35 17.805 7.388 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.952 8.937 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.471 8.139 4.380 1.00 0.00 H new ATOM 564 N ILE A 36 19.300 9.459 1.689 1.00 0.00 N ATOM 565 CA ILE A 36 19.491 10.483 0.645 1.00 0.00 C ATOM 566 C ILE A 36 18.479 11.618 0.881 1.00 0.00 C ATOM 567 O ILE A 36 17.264 11.378 0.853 1.00 0.00 O ATOM 568 CB ILE A 36 19.316 9.930 -0.827 1.00 0.00 C ATOM 569 CG1 ILE A 36 20.032 8.554 -1.041 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.825 10.970 -1.859 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.498 8.500 -0.636 1.00 0.00 C ATOM 0 H ILE A 36 18.712 8.675 1.405 1.00 0.00 H new ATOM 0 HA ILE A 36 20.520 10.834 0.724 1.00 0.00 H new ATOM 0 HB ILE A 36 18.250 9.762 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.491 7.793 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.956 8.286 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.698 10.575 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 36 19.255 11.893 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.881 11.174 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.892 7.502 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.063 9.230 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.591 8.729 0.426 1.00 0.00 H new ATOM 583 N ALA A 37 18.999 12.833 1.129 1.00 0.00 N ATOM 584 CA ALA A 37 18.185 14.043 1.362 1.00 0.00 C ATOM 585 C ALA A 37 17.256 14.343 0.157 1.00 0.00 C ATOM 586 O ALA A 37 17.648 14.081 -0.976 1.00 0.00 O ATOM 587 CB ALA A 37 19.123 15.233 1.644 1.00 0.00 C ATOM 0 H ALA A 37 20.003 13.006 1.174 1.00 0.00 H new ATOM 0 HA ALA A 37 17.541 13.875 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.530 16.131 1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.725 15.020 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.778 15.391 0.787 1.00 0.00 H new ATOM 593 N PRO A 38 16.017 14.907 0.390 1.00 0.00 N ATOM 594 CA PRO A 38 15.035 15.202 -0.698 1.00 0.00 C ATOM 595 C PRO A 38 15.611 16.164 -1.770 1.00 0.00 C ATOM 596 O PRO A 38 15.269 16.067 -2.951 1.00 0.00 O ATOM 597 CB PRO A 38 13.834 15.830 0.065 1.00 0.00 C ATOM 598 CG PRO A 38 14.419 16.324 1.353 1.00 0.00 C ATOM 599 CD PRO A 38 15.474 15.311 1.717 1.00 0.00 C ATOM 0 HA PRO A 38 14.760 14.313 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.385 16.644 -0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.049 15.095 0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.851 17.318 1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.658 16.397 2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.245 15.742 2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.051 14.463 2.256 1.00 0.00 H new ATOM 607 N GLY A 39 16.520 17.066 -1.337 1.00 0.00 N ATOM 608 CA GLY A 39 17.265 17.950 -2.248 1.00 0.00 C ATOM 609 C GLY A 39 18.601 17.345 -2.691 1.00 0.00 C ATOM 610 O GLY A 39 19.587 18.063 -2.886 1.00 0.00 O ATOM 0 H GLY A 39 16.753 17.198 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.655 18.158 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.448 18.904 -1.754 1.00 0.00 H new ATOM 614 N SER A 40 18.637 16.009 -2.812 1.00 0.00 N ATOM 615 CA SER A 40 19.794 15.248 -3.329 1.00 0.00 C ATOM 616 C SER A 40 19.308 14.064 -4.199 1.00 0.00 C ATOM 617 O SER A 40 20.120 13.285 -4.708 1.00 0.00 O ATOM 618 CB SER A 40 20.669 14.731 -2.154 1.00 0.00 C ATOM 619 OG SER A 40 21.069 15.785 -1.290 1.00 0.00 O ATOM 0 H SER A 40 17.851 15.413 -2.550 1.00 0.00 H new ATOM 0 HA SER A 40 20.400 15.910 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.111 13.987 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.553 14.232 -2.551 1.00 0.00 H new ATOM 0 HG SER A 40 21.616 15.422 -0.562 1.00 0.00 H new ATOM 625 N GLN A 41 17.976 13.948 -4.376 1.00 0.00 N ATOM 626 CA GLN A 41 17.338 12.851 -5.131 1.00 0.00 C ATOM 627 C GLN A 41 16.050 13.354 -5.792 1.00 0.00 C ATOM 628 O GLN A 41 15.526 14.419 -5.427 1.00 0.00 O ATOM 629 CB GLN A 41 17.050 11.640 -4.186 1.00 0.00 C ATOM 630 CG GLN A 41 16.300 11.994 -2.867 1.00 0.00 C ATOM 631 CD GLN A 41 14.801 11.687 -2.841 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.127 11.635 -3.872 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.253 11.545 -1.642 1.00 0.00 N ATOM 0 H GLN A 41 17.308 14.619 -3.996 1.00 0.00 H new ATOM 0 HA GLN A 41 18.016 12.512 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.462 10.904 -4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.997 11.165 -3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.775 11.455 -2.047 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.436 13.057 -2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.836 11.593 -0.806 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.249 11.388 -1.556 1.00 0.00 H new ATOM 642 N ARG A 42 15.547 12.588 -6.772 1.00 0.00 N ATOM 643 CA ARG A 42 14.244 12.841 -7.411 1.00 0.00 C ATOM 644 C ARG A 42 13.608 11.518 -7.848 1.00 0.00 C ATOM 645 O ARG A 42 14.212 10.445 -7.712 1.00 0.00 O ATOM 646 CB ARG A 42 14.348 13.819 -8.634 1.00 0.00 C ATOM 647 CG ARG A 42 15.308 13.386 -9.775 1.00 0.00 C ATOM 648 CD ARG A 42 16.769 13.821 -9.546 1.00 0.00 C ATOM 649 NE ARG A 42 16.928 15.290 -9.573 1.00 0.00 N ATOM 650 CZ ARG A 42 18.107 15.942 -9.586 1.00 0.00 C ATOM 651 NH1 ARG A 42 19.260 15.288 -9.551 1.00 0.00 N ATOM 652 NH2 ARG A 42 18.122 17.265 -9.641 1.00 0.00 N ATOM 0 H ARG A 42 16.033 11.773 -7.146 1.00 0.00 H new ATOM 0 HA ARG A 42 13.613 13.327 -6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.351 13.949 -9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.669 14.794 -8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.272 12.301 -9.878 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.955 13.807 -10.716 1.00 0.00 H new ATOM 0 HD2 ARG A 42 17.113 13.438 -8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 42 17.403 13.375 -10.312 1.00 0.00 H new ATOM 0 HE ARG A 42 16.079 15.855 -9.583 1.00 0.00 H new ATOM 0 HH11 ARG A 42 19.267 14.269 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 42 20.140 15.804 -9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 42 17.245 17.784 -9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 42 19.011 17.765 -9.651 1.00 0.00 H new ATOM 666 N ILE A 43 12.377 11.613 -8.370 1.00 0.00 N ATOM 667 CA ILE A 43 11.631 10.464 -8.883 1.00 0.00 C ATOM 668 C ILE A 43 12.062 10.202 -10.316 1.00 0.00 C ATOM 669 O ILE A 43 11.900 11.046 -11.200 1.00 0.00 O ATOM 670 CB ILE A 43 10.072 10.678 -8.803 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.639 10.872 -7.319 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.286 9.509 -9.473 1.00 0.00 C ATOM 673 CD1 ILE A 43 10.032 9.736 -6.389 1.00 0.00 C ATOM 0 H ILE A 43 11.871 12.496 -8.447 1.00 0.00 H new ATOM 0 HA ILE A 43 11.857 9.600 -8.258 1.00 0.00 H new ATOM 0 HB ILE A 43 9.826 11.580 -9.363 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.077 11.798 -6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.556 10.994 -7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.215 9.698 -9.394 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.566 9.438 -10.524 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.527 8.573 -8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.690 9.958 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.572 8.809 -6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.116 9.625 -6.388 1.00 0.00 H new ATOM 685 N LEU A 44 12.698 9.058 -10.484 1.00 0.00 N ATOM 686 CA LEU A 44 13.103 8.496 -11.762 1.00 0.00 C ATOM 687 C LEU A 44 12.654 7.041 -11.720 1.00 0.00 C ATOM 688 O LEU A 44 12.978 6.336 -10.780 1.00 0.00 O ATOM 689 CB LEU A 44 14.641 8.648 -11.919 1.00 0.00 C ATOM 690 CG LEU A 44 15.157 10.124 -11.833 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.655 10.195 -11.479 1.00 0.00 C ATOM 692 CD2 LEU A 44 14.834 10.918 -13.120 1.00 0.00 C ATOM 0 H LEU A 44 12.960 8.466 -9.696 1.00 0.00 H new ATOM 0 HA LEU A 44 12.659 8.998 -12.621 1.00 0.00 H new ATOM 0 HB2 LEU A 44 15.133 8.058 -11.146 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.939 8.227 -12.879 1.00 0.00 H new ATOM 0 HG LEU A 44 14.617 10.601 -11.015 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.968 11.238 -11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 44 16.823 9.720 -10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.234 9.677 -12.243 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.208 11.937 -13.022 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.311 10.437 -13.974 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.755 10.940 -13.273 1.00 0.00 H new ATOM 704 N VAL A 45 11.851 6.622 -12.688 1.00 0.00 N ATOM 705 CA VAL A 45 11.155 5.315 -12.649 1.00 0.00 C ATOM 706 C VAL A 45 11.830 4.271 -13.551 1.00 0.00 C ATOM 707 O VAL A 45 12.781 4.593 -14.277 1.00 0.00 O ATOM 708 CB VAL A 45 9.633 5.487 -13.007 1.00 0.00 C ATOM 709 CG1 VAL A 45 8.899 6.242 -11.872 1.00 0.00 C ATOM 710 CG2 VAL A 45 9.448 6.203 -14.370 1.00 0.00 C ATOM 0 H VAL A 45 11.655 7.167 -13.527 1.00 0.00 H new ATOM 0 HA VAL A 45 11.226 4.937 -11.629 1.00 0.00 H new ATOM 0 HB VAL A 45 9.191 4.495 -13.103 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.846 6.355 -12.131 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.985 5.677 -10.944 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.348 7.227 -11.740 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.384 6.305 -14.586 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.906 7.191 -14.327 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.923 5.617 -15.156 1.00 0.00 H new ATOM 720 N GLY A 46 11.329 3.019 -13.461 1.00 0.00 N ATOM 721 CA GLY A 46 11.909 1.868 -14.160 1.00 0.00 C ATOM 722 C GLY A 46 11.954 2.015 -15.681 1.00 0.00 C ATOM 723 O GLY A 46 12.976 1.718 -16.318 1.00 0.00 O ATOM 0 H GLY A 46 10.510 2.786 -12.899 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.922 1.707 -13.792 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.333 0.977 -13.909 1.00 0.00 H new ATOM 727 N TYR A 47 10.827 2.460 -16.259 1.00 0.00 N ATOM 728 CA TYR A 47 10.758 2.861 -17.681 1.00 0.00 C ATOM 729 C TYR A 47 11.346 4.293 -17.830 1.00 0.00 C ATOM 730 O TYR A 47 11.397 5.004 -16.825 1.00 0.00 O ATOM 731 CB TYR A 47 9.289 2.773 -18.190 1.00 0.00 C ATOM 732 CG TYR A 47 8.275 3.730 -17.512 1.00 0.00 C ATOM 733 CD1 TYR A 47 8.037 5.017 -18.016 1.00 0.00 C ATOM 734 CD2 TYR A 47 7.542 3.337 -16.387 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.117 5.862 -17.422 1.00 0.00 C ATOM 736 CE2 TYR A 47 6.620 4.181 -15.800 1.00 0.00 C ATOM 737 CZ TYR A 47 6.410 5.437 -16.319 1.00 0.00 C ATOM 738 OH TYR A 47 5.486 6.272 -15.729 1.00 0.00 O ATOM 0 H TYR A 47 9.941 2.553 -15.761 1.00 0.00 H new ATOM 0 HA TYR A 47 11.350 2.184 -18.296 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.285 2.971 -19.262 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.939 1.750 -18.054 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.583 5.355 -18.885 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.700 2.354 -15.969 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.954 6.852 -17.822 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.064 3.855 -14.934 1.00 0.00 H new ATOM 0 HH TYR A 47 4.912 5.752 -15.128 1.00 0.00 H new ATOM 748 N PRO A 48 11.813 4.730 -19.061 1.00 0.00 N ATOM 749 CA PRO A 48 12.427 6.072 -19.277 1.00 0.00 C ATOM 750 C PRO A 48 11.615 7.240 -18.641 1.00 0.00 C ATOM 751 O PRO A 48 10.520 7.566 -19.124 1.00 0.00 O ATOM 752 CB PRO A 48 12.479 6.196 -20.818 1.00 0.00 C ATOM 753 CG PRO A 48 12.624 4.783 -21.293 1.00 0.00 C ATOM 754 CD PRO A 48 11.799 3.948 -20.333 1.00 0.00 C ATOM 0 HA PRO A 48 13.402 6.148 -18.796 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.574 6.658 -21.212 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.318 6.813 -21.140 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.265 4.674 -22.316 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.669 4.472 -21.286 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.783 3.805 -20.701 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.231 2.957 -20.196 1.00 0.00 H new ATOM 762 N PRO A 49 12.119 7.844 -17.512 1.00 0.00 N ATOM 763 CA PRO A 49 11.422 8.946 -16.825 1.00 0.00 C ATOM 764 C PRO A 49 11.591 10.287 -17.559 1.00 0.00 C ATOM 765 O PRO A 49 12.563 10.503 -18.299 1.00 0.00 O ATOM 766 CB PRO A 49 12.072 8.963 -15.424 1.00 0.00 C ATOM 767 CG PRO A 49 13.457 8.415 -15.625 1.00 0.00 C ATOM 768 CD PRO A 49 13.398 7.495 -16.828 1.00 0.00 C ATOM 0 HA PRO A 49 10.342 8.801 -16.786 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.104 9.974 -15.017 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.506 8.353 -14.720 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.171 9.222 -15.791 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.789 7.872 -14.740 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.253 7.649 -17.486 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.412 6.448 -16.526 1.00 0.00 H new ATOM 776 N GLU A 50 10.637 11.186 -17.326 1.00 0.00 N ATOM 777 CA GLU A 50 10.561 12.494 -17.996 1.00 0.00 C ATOM 778 C GLU A 50 11.239 13.590 -17.134 1.00 0.00 C ATOM 779 O GLU A 50 10.800 14.738 -17.158 1.00 0.00 O ATOM 780 CB GLU A 50 9.056 12.819 -18.254 1.00 0.00 C ATOM 781 CG GLU A 50 8.308 11.774 -19.118 1.00 0.00 C ATOM 782 CD GLU A 50 8.821 11.688 -20.571 1.00 0.00 C ATOM 783 OE1 GLU A 50 8.327 12.451 -21.436 1.00 0.00 O ATOM 784 OE2 GLU A 50 9.716 10.857 -20.866 1.00 0.00 O ATOM 0 H GLU A 50 9.882 11.030 -16.658 1.00 0.00 H new ATOM 0 HA GLU A 50 11.095 12.465 -18.946 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.548 12.908 -17.294 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.987 13.791 -18.742 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.403 10.794 -18.650 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.246 12.020 -19.131 1.00 0.00 H new ATOM 791 N CYS A 51 12.330 13.208 -16.404 1.00 0.00 N ATOM 792 CA CYS A 51 13.064 14.060 -15.417 1.00 0.00 C ATOM 793 C CYS A 51 12.264 14.185 -14.101 1.00 0.00 C ATOM 794 O CYS A 51 12.796 13.902 -13.014 1.00 0.00 O ATOM 795 CB CYS A 51 13.448 15.457 -15.978 1.00 0.00 C ATOM 796 SG CYS A 51 14.445 15.390 -17.484 1.00 0.00 S ATOM 0 H CYS A 51 12.733 12.275 -16.488 1.00 0.00 H new ATOM 0 HA CYS A 51 14.005 13.552 -15.208 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.537 16.019 -16.182 1.00 0.00 H new ATOM 0 HB3 CYS A 51 13.998 16.006 -15.214 1.00 0.00 H new ATOM 0 HG CYS A 51 14.715 16.598 -17.880 1.00 0.00 H new ATOM 802 N LEU A 52 10.993 14.625 -14.235 1.00 0.00 N ATOM 803 CA LEU A 52 9.981 14.622 -13.160 1.00 0.00 C ATOM 804 C LEU A 52 10.355 15.633 -12.057 1.00 0.00 C ATOM 805 O LEU A 52 11.104 15.316 -11.122 1.00 0.00 O ATOM 806 CB LEU A 52 9.759 13.173 -12.619 1.00 0.00 C ATOM 807 CG LEU A 52 9.403 12.109 -13.718 1.00 0.00 C ATOM 808 CD1 LEU A 52 9.457 10.671 -13.167 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.033 12.406 -14.369 1.00 0.00 C ATOM 0 H LEU A 52 10.636 15.000 -15.114 1.00 0.00 H new ATOM 0 HA LEU A 52 9.024 14.950 -13.566 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.662 12.851 -12.100 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.958 13.194 -11.880 1.00 0.00 H new ATOM 0 HG LEU A 52 10.165 12.187 -14.494 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.204 9.968 -13.960 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.462 10.459 -12.801 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.744 10.568 -12.349 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.818 11.651 -15.125 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.255 12.387 -13.605 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.058 13.390 -14.837 1.00 0.00 H new ATOM 821 N ASP A 53 9.856 16.873 -12.217 1.00 0.00 N ATOM 822 CA ASP A 53 10.171 18.001 -11.331 1.00 0.00 C ATOM 823 C ASP A 53 9.147 18.084 -10.193 1.00 0.00 C ATOM 824 O ASP A 53 8.012 18.543 -10.391 1.00 0.00 O ATOM 825 CB ASP A 53 10.210 19.333 -12.135 1.00 0.00 C ATOM 826 CG ASP A 53 11.365 19.384 -13.152 1.00 0.00 C ATOM 827 OD1 ASP A 53 11.204 18.872 -14.284 1.00 0.00 O ATOM 828 OD2 ASP A 53 12.445 19.927 -12.819 1.00 0.00 O ATOM 0 H ASP A 53 9.217 17.119 -12.973 1.00 0.00 H new ATOM 0 HA ASP A 53 11.157 17.838 -10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.264 19.463 -12.660 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.306 20.168 -11.441 1.00 0.00 H new ATOM 833 N LEU A 54 9.552 17.591 -9.015 1.00 0.00 N ATOM 834 CA LEU A 54 8.754 17.681 -7.784 1.00 0.00 C ATOM 835 C LEU A 54 8.889 19.110 -7.212 1.00 0.00 C ATOM 836 O LEU A 54 9.900 19.438 -6.577 1.00 0.00 O ATOM 837 CB LEU A 54 9.205 16.617 -6.739 1.00 0.00 C ATOM 838 CG LEU A 54 8.969 15.107 -7.091 1.00 0.00 C ATOM 839 CD1 LEU A 54 9.955 14.586 -8.158 1.00 0.00 C ATOM 840 CD2 LEU A 54 9.000 14.228 -5.818 1.00 0.00 C ATOM 0 H LEU A 54 10.446 17.117 -8.888 1.00 0.00 H new ATOM 0 HA LEU A 54 7.709 17.476 -8.015 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.270 16.757 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.690 16.828 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 54 7.973 15.037 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.747 13.536 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.839 15.165 -9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.976 14.688 -7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.834 13.186 -6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.971 14.325 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.217 14.553 -5.132 1.00 0.00 H new ATOM 852 N SER A 55 7.883 19.960 -7.475 1.00 0.00 N ATOM 853 CA SER A 55 7.932 21.403 -7.141 1.00 0.00 C ATOM 854 C SER A 55 6.718 21.813 -6.266 1.00 0.00 C ATOM 855 O SER A 55 6.162 22.905 -6.414 1.00 0.00 O ATOM 856 CB SER A 55 7.999 22.209 -8.470 1.00 0.00 C ATOM 857 OG SER A 55 8.136 23.609 -8.246 1.00 0.00 O ATOM 0 H SER A 55 7.013 19.673 -7.924 1.00 0.00 H new ATOM 0 HA SER A 55 8.820 21.623 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.840 21.854 -9.066 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.096 22.023 -9.051 1.00 0.00 H new ATOM 0 HG SER A 55 7.527 23.887 -7.531 1.00 0.00 H new ATOM 863 N ASP A 56 6.338 20.931 -5.323 1.00 0.00 N ATOM 864 CA ASP A 56 5.231 21.180 -4.362 1.00 0.00 C ATOM 865 C ASP A 56 5.323 20.190 -3.193 1.00 0.00 C ATOM 866 O ASP A 56 5.720 19.057 -3.391 1.00 0.00 O ATOM 867 CB ASP A 56 3.849 21.067 -5.072 1.00 0.00 C ATOM 868 CG ASP A 56 2.637 21.233 -4.129 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.508 22.295 -3.482 1.00 0.00 O ATOM 870 OD2 ASP A 56 1.821 20.295 -4.017 1.00 0.00 O ATOM 0 H ASP A 56 6.786 20.023 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 56 5.326 22.194 -3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.792 21.823 -5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.783 20.096 -5.562 1.00 0.00 H new ATOM 875 N ARG A 57 4.944 20.622 -1.983 1.00 0.00 N ATOM 876 CA ARG A 57 5.038 19.785 -0.761 1.00 0.00 C ATOM 877 C ARG A 57 3.902 18.730 -0.709 1.00 0.00 C ATOM 878 O ARG A 57 4.097 17.623 -0.180 1.00 0.00 O ATOM 879 CB ARG A 57 5.001 20.687 0.505 1.00 0.00 C ATOM 880 CG ARG A 57 3.695 21.487 0.663 1.00 0.00 C ATOM 881 CD ARG A 57 3.670 22.412 1.883 1.00 0.00 C ATOM 882 NE ARG A 57 2.346 23.051 2.028 1.00 0.00 N ATOM 883 CZ ARG A 57 2.079 24.135 2.772 1.00 0.00 C ATOM 884 NH1 ARG A 57 3.050 24.793 3.385 1.00 0.00 N ATOM 885 NH2 ARG A 57 0.833 24.574 2.867 1.00 0.00 N ATOM 0 H ARG A 57 4.565 21.554 -1.815 1.00 0.00 H new ATOM 0 HA ARG A 57 5.986 19.248 -0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.143 20.063 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.839 21.383 0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.537 22.084 -0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.861 20.789 0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.905 21.842 2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.439 23.177 1.781 1.00 0.00 H new ATOM 0 HE ARG A 57 1.568 22.632 1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.016 24.477 3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.833 25.616 3.947 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.082 24.088 2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.624 25.398 3.431 1.00 0.00 H new ATOM 899 N ASP A 58 2.731 19.082 -1.273 1.00 0.00 N ATOM 900 CA ASP A 58 1.512 18.252 -1.216 1.00 0.00 C ATOM 901 C ASP A 58 1.383 17.320 -2.434 1.00 0.00 C ATOM 902 O ASP A 58 0.436 16.525 -2.488 1.00 0.00 O ATOM 903 CB ASP A 58 0.254 19.160 -1.125 1.00 0.00 C ATOM 904 CG ASP A 58 0.107 19.885 0.224 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.377 19.262 1.191 1.00 0.00 O ATOM 906 OD2 ASP A 58 0.445 21.086 0.318 1.00 0.00 O ATOM 0 H ASP A 58 2.603 19.955 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 58 1.590 17.628 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.294 19.902 -1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.634 18.553 -1.299 1.00 0.00 H new ATOM 911 N ILE A 59 2.313 17.428 -3.406 1.00 0.00 N ATOM 912 CA ILE A 59 2.245 16.644 -4.658 1.00 0.00 C ATOM 913 C ILE A 59 2.379 15.127 -4.357 1.00 0.00 C ATOM 914 O ILE A 59 3.332 14.687 -3.702 1.00 0.00 O ATOM 915 CB ILE A 59 3.308 17.141 -5.712 1.00 0.00 C ATOM 916 CG1 ILE A 59 3.012 16.546 -7.122 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.763 16.836 -5.275 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.991 16.967 -8.208 1.00 0.00 C ATOM 0 H ILE A 59 3.119 18.050 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 59 1.266 16.804 -5.110 1.00 0.00 H new ATOM 0 HB ILE A 59 3.217 18.226 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.015 15.458 -7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.007 16.842 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.455 17.198 -6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.971 17.335 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.888 15.760 -5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.706 16.505 -9.153 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.973 18.052 -8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.996 16.646 -7.936 1.00 0.00 H new ATOM 930 N THR A 60 1.378 14.345 -4.797 1.00 0.00 N ATOM 931 CA THR A 60 1.200 12.948 -4.360 1.00 0.00 C ATOM 932 C THR A 60 1.691 11.928 -5.407 1.00 0.00 C ATOM 933 O THR A 60 2.080 12.288 -6.520 1.00 0.00 O ATOM 934 CB THR A 60 -0.307 12.680 -4.036 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.119 12.915 -5.205 1.00 0.00 O ATOM 936 CG2 THR A 60 -0.802 13.569 -2.880 1.00 0.00 C ATOM 0 H THR A 60 0.672 14.661 -5.462 1.00 0.00 H new ATOM 0 HA THR A 60 1.810 12.815 -3.466 1.00 0.00 H new ATOM 0 HB THR A 60 -0.397 11.637 -3.731 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.059 12.742 -4.990 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.853 13.357 -2.682 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.215 13.363 -1.985 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.689 14.618 -3.154 1.00 0.00 H new ATOM 944 N LEU A 61 1.615 10.638 -5.024 1.00 0.00 N ATOM 945 CA LEU A 61 1.970 9.489 -5.893 1.00 0.00 C ATOM 946 C LEU A 61 0.957 9.313 -7.046 1.00 0.00 C ATOM 947 O LEU A 61 1.179 8.516 -7.954 1.00 0.00 O ATOM 948 CB LEU A 61 2.030 8.184 -5.066 1.00 0.00 C ATOM 949 CG LEU A 61 2.835 8.239 -3.736 1.00 0.00 C ATOM 950 CD1 LEU A 61 2.909 6.848 -3.080 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.235 8.852 -3.927 1.00 0.00 C ATOM 0 H LEU A 61 1.303 10.358 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 61 2.950 9.699 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.009 7.880 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.460 7.403 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 61 2.296 8.902 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.477 6.913 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.901 6.493 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.401 6.151 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.758 8.869 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.801 8.252 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.138 9.870 -4.306 1.00 0.00 H new ATOM 963 N GLY A 62 -0.180 10.021 -6.945 1.00 0.00 N ATOM 964 CA GLY A 62 -1.166 10.082 -8.021 1.00 0.00 C ATOM 965 C GLY A 62 -0.758 11.031 -9.142 1.00 0.00 C ATOM 966 O GLY A 62 -1.255 10.914 -10.266 1.00 0.00 O ATOM 0 H GLY A 62 -0.435 10.562 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.311 9.083 -8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.125 10.401 -7.612 1.00 0.00 H new ATOM 970 N ASP A 63 0.141 11.994 -8.832 1.00 0.00 N ATOM 971 CA ASP A 63 0.663 12.940 -9.830 1.00 0.00 C ATOM 972 C ASP A 63 2.003 12.422 -10.382 1.00 0.00 C ATOM 973 O ASP A 63 2.173 12.321 -11.600 1.00 0.00 O ATOM 974 CB ASP A 63 0.814 14.351 -9.212 1.00 0.00 C ATOM 975 CG ASP A 63 1.068 15.445 -10.271 1.00 0.00 C ATOM 976 OD1 ASP A 63 2.227 15.647 -10.689 1.00 0.00 O ATOM 977 OD2 ASP A 63 0.098 16.106 -10.700 1.00 0.00 O ATOM 0 H ASP A 63 0.517 12.132 -7.894 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.042 13.018 -10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.089 14.596 -8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.638 14.344 -8.499 1.00 0.00 H new ATOM 982 N LEU A 64 2.957 12.109 -9.472 1.00 0.00 N ATOM 983 CA LEU A 64 4.231 11.451 -9.848 1.00 0.00 C ATOM 984 C LEU A 64 3.963 9.968 -10.230 1.00 0.00 C ATOM 985 O LEU A 64 3.035 9.369 -9.699 1.00 0.00 O ATOM 986 CB LEU A 64 5.291 11.500 -8.701 1.00 0.00 C ATOM 987 CG LEU A 64 5.866 12.881 -8.246 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.167 13.811 -9.438 1.00 0.00 C ATOM 989 CD2 LEU A 64 4.974 13.552 -7.186 1.00 0.00 C ATOM 0 H LEU A 64 2.868 12.301 -8.474 1.00 0.00 H new ATOM 0 HA LEU A 64 4.636 12.000 -10.698 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.848 11.026 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.133 10.880 -9.007 1.00 0.00 H new ATOM 0 HG LEU A 64 6.825 12.682 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.564 14.757 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.901 13.339 -10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.249 13.995 -9.996 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.409 14.509 -6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.979 13.716 -7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.902 12.907 -6.310 1.00 0.00 H new ATOM 1001 N PRO A 65 4.774 9.346 -11.144 1.00 0.00 N ATOM 1002 CA PRO A 65 4.575 7.938 -11.576 1.00 0.00 C ATOM 1003 C PRO A 65 5.179 6.872 -10.615 1.00 0.00 C ATOM 1004 O PRO A 65 5.762 5.881 -11.069 1.00 0.00 O ATOM 1005 CB PRO A 65 5.252 7.932 -12.966 1.00 0.00 C ATOM 1006 CG PRO A 65 6.385 8.897 -12.833 1.00 0.00 C ATOM 1007 CD PRO A 65 5.913 9.978 -11.871 1.00 0.00 C ATOM 0 HA PRO A 65 3.523 7.654 -11.586 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.608 6.936 -13.230 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.557 8.240 -13.747 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.277 8.400 -12.452 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.647 9.325 -13.801 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.707 10.276 -11.186 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.597 10.875 -12.403 1.00 0.00 H new ATOM 1015 N ILE A 66 4.990 7.053 -9.284 1.00 0.00 N ATOM 1016 CA ILE A 66 5.304 5.996 -8.290 1.00 0.00 C ATOM 1017 C ILE A 66 4.226 4.919 -8.420 1.00 0.00 C ATOM 1018 O ILE A 66 3.030 5.203 -8.263 1.00 0.00 O ATOM 1019 CB ILE A 66 5.354 6.490 -6.779 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.572 7.425 -6.492 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.374 5.300 -5.775 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.496 8.789 -7.111 1.00 0.00 C ATOM 0 H ILE A 66 4.625 7.914 -8.877 1.00 0.00 H new ATOM 0 HA ILE A 66 6.308 5.635 -8.512 1.00 0.00 H new ATOM 0 HB ILE A 66 4.438 7.063 -6.633 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.674 7.540 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.478 6.933 -6.847 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.408 5.685 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.475 4.698 -5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.253 4.683 -5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.389 9.357 -6.851 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.430 8.694 -8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.614 9.309 -6.738 1.00 0.00 H new ATOM 1034 N GLN A 67 4.650 3.701 -8.750 1.00 0.00 N ATOM 1035 CA GLN A 67 3.748 2.561 -8.939 1.00 0.00 C ATOM 1036 C GLN A 67 4.098 1.468 -7.916 1.00 0.00 C ATOM 1037 O GLN A 67 5.219 1.438 -7.394 1.00 0.00 O ATOM 1038 CB GLN A 67 3.854 2.064 -10.407 1.00 0.00 C ATOM 1039 CG GLN A 67 3.681 3.185 -11.460 1.00 0.00 C ATOM 1040 CD GLN A 67 3.723 2.688 -12.908 1.00 0.00 C ATOM 1041 OE1 GLN A 67 4.780 2.631 -13.538 1.00 0.00 O ATOM 1042 NE2 GLN A 67 2.570 2.311 -13.446 1.00 0.00 N ATOM 0 H GLN A 67 5.634 3.473 -8.895 1.00 0.00 H new ATOM 0 HA GLN A 67 2.711 2.849 -8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.825 1.590 -10.551 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.097 1.298 -10.577 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.730 3.689 -11.287 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.466 3.928 -11.318 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.710 2.369 -12.901 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.544 1.963 -14.405 1.00 0.00 H new ATOM 1051 N SER A 68 3.128 0.593 -7.623 1.00 0.00 N ATOM 1052 CA SER A 68 3.259 -0.447 -6.590 1.00 0.00 C ATOM 1053 C SER A 68 4.370 -1.470 -6.952 1.00 0.00 C ATOM 1054 O SER A 68 4.186 -2.327 -7.825 1.00 0.00 O ATOM 1055 CB SER A 68 1.891 -1.141 -6.392 1.00 0.00 C ATOM 1056 OG SER A 68 1.379 -1.634 -7.624 1.00 0.00 O ATOM 0 H SER A 68 2.225 0.585 -8.097 1.00 0.00 H new ATOM 0 HA SER A 68 3.559 0.019 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.997 -1.963 -5.685 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.183 -0.436 -5.957 1.00 0.00 H new ATOM 0 HG SER A 68 2.118 -1.967 -8.176 1.00 0.00 H new ATOM 1062 N GLY A 69 5.529 -1.341 -6.284 1.00 0.00 N ATOM 1063 CA GLY A 69 6.683 -2.218 -6.521 1.00 0.00 C ATOM 1064 C GLY A 69 7.539 -1.785 -7.704 1.00 0.00 C ATOM 1065 O GLY A 69 8.285 -2.599 -8.257 1.00 0.00 O ATOM 0 H GLY A 69 5.690 -0.630 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.302 -2.242 -5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.328 -3.235 -6.691 1.00 0.00 H new ATOM 1069 N ASP A 70 7.444 -0.493 -8.078 1.00 0.00 N ATOM 1070 CA ASP A 70 8.202 0.070 -9.212 1.00 0.00 C ATOM 1071 C ASP A 70 9.646 0.376 -8.788 1.00 0.00 C ATOM 1072 O ASP A 70 9.943 0.502 -7.590 1.00 0.00 O ATOM 1073 CB ASP A 70 7.508 1.350 -9.768 1.00 0.00 C ATOM 1074 CG ASP A 70 7.986 1.744 -11.182 1.00 0.00 C ATOM 1075 OD1 ASP A 70 7.438 1.196 -12.165 1.00 0.00 O ATOM 1076 OD2 ASP A 70 8.940 2.545 -11.316 1.00 0.00 O ATOM 0 H ASP A 70 6.845 0.184 -7.606 1.00 0.00 H new ATOM 0 HA ASP A 70 8.224 -0.672 -10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.430 1.189 -9.789 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.693 2.180 -9.086 1.00 0.00 H new ATOM 1081 N MET A 71 10.526 0.507 -9.787 1.00 0.00 N ATOM 1082 CA MET A 71 11.949 0.760 -9.585 1.00 0.00 C ATOM 1083 C MET A 71 12.206 2.276 -9.575 1.00 0.00 C ATOM 1084 O MET A 71 12.267 2.914 -10.629 1.00 0.00 O ATOM 1085 CB MET A 71 12.792 0.064 -10.688 1.00 0.00 C ATOM 1086 CG MET A 71 14.327 0.178 -10.529 1.00 0.00 C ATOM 1087 SD MET A 71 15.066 -1.076 -9.448 1.00 0.00 S ATOM 1088 CE MET A 71 14.609 -0.523 -7.807 1.00 0.00 C ATOM 0 H MET A 71 10.262 0.439 -10.770 1.00 0.00 H new ATOM 0 HA MET A 71 12.252 0.344 -8.624 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.525 -0.992 -10.712 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.513 0.485 -11.654 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.788 0.107 -11.514 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.566 1.166 -10.135 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.502 -0.452 -7.185 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.133 0.455 -7.872 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.914 -1.236 -7.363 1.00 0.00 H new ATOM 1098 N LEU A 72 12.311 2.836 -8.371 1.00 0.00 N ATOM 1099 CA LEU A 72 12.560 4.273 -8.160 1.00 0.00 C ATOM 1100 C LEU A 72 14.066 4.524 -8.000 1.00 0.00 C ATOM 1101 O LEU A 72 14.643 4.216 -6.961 1.00 0.00 O ATOM 1102 CB LEU A 72 11.766 4.787 -6.918 1.00 0.00 C ATOM 1103 CG LEU A 72 10.295 5.276 -7.157 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.463 4.292 -8.016 1.00 0.00 C ATOM 1105 CD2 LEU A 72 9.601 5.544 -5.802 1.00 0.00 C ATOM 0 H LEU A 72 12.226 2.306 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 72 12.211 4.828 -9.031 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.739 3.986 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.327 5.610 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 72 10.353 6.204 -7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.455 4.685 -8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.935 4.172 -8.991 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.413 3.325 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.580 5.883 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.583 4.626 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.150 6.312 -5.258 1.00 0.00 H new ATOM 1117 N ILE A 73 14.696 5.070 -9.046 1.00 0.00 N ATOM 1118 CA ILE A 73 16.114 5.432 -9.040 1.00 0.00 C ATOM 1119 C ILE A 73 16.294 6.678 -8.147 1.00 0.00 C ATOM 1120 O ILE A 73 16.110 7.826 -8.584 1.00 0.00 O ATOM 1121 CB ILE A 73 16.694 5.680 -10.501 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.672 4.371 -11.378 1.00 0.00 C ATOM 1123 CG2 ILE A 73 18.135 6.262 -10.445 1.00 0.00 C ATOM 1124 CD1 ILE A 73 15.300 3.890 -11.835 1.00 0.00 C ATOM 0 H ILE A 73 14.229 5.274 -9.929 1.00 0.00 H new ATOM 0 HA ILE A 73 16.685 4.595 -8.638 1.00 0.00 H new ATOM 0 HB ILE A 73 16.039 6.411 -10.976 1.00 0.00 H new ATOM 0 HG12 ILE A 73 17.287 4.540 -12.262 1.00 0.00 H new ATOM 0 HG13 ILE A 73 17.144 3.570 -10.809 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.503 6.420 -11.459 1.00 0.00 H new ATOM 0 HG22 ILE A 73 18.123 7.212 -9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.790 5.562 -9.926 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.412 2.983 -12.430 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.680 3.678 -10.964 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.826 4.664 -12.439 1.00 0.00 H new ATOM 1136 N VAL A 74 16.553 6.407 -6.861 1.00 0.00 N ATOM 1137 CA VAL A 74 16.936 7.418 -5.879 1.00 0.00 C ATOM 1138 C VAL A 74 18.449 7.631 -5.996 1.00 0.00 C ATOM 1139 O VAL A 74 19.249 6.854 -5.459 1.00 0.00 O ATOM 1140 CB VAL A 74 16.528 6.992 -4.413 1.00 0.00 C ATOM 1141 CG1 VAL A 74 17.082 7.975 -3.353 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.991 6.858 -4.281 1.00 0.00 C ATOM 0 H VAL A 74 16.500 5.465 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 74 16.407 8.349 -6.082 1.00 0.00 H new ATOM 0 HB VAL A 74 16.977 6.017 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.779 7.647 -2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.170 7.998 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.687 8.973 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.738 6.564 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.521 7.815 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.631 6.101 -4.978 1.00 0.00 H new ATOM 1152 N GLU A 75 18.828 8.651 -6.767 1.00 0.00 N ATOM 1153 CA GLU A 75 20.237 8.990 -6.975 1.00 0.00 C ATOM 1154 C GLU A 75 20.785 9.744 -5.757 1.00 0.00 C ATOM 1155 O GLU A 75 20.021 10.389 -5.029 1.00 0.00 O ATOM 1156 CB GLU A 75 20.400 9.850 -8.245 1.00 0.00 C ATOM 1157 CG GLU A 75 19.724 11.239 -8.176 1.00 0.00 C ATOM 1158 CD GLU A 75 20.080 12.123 -9.367 1.00 0.00 C ATOM 1159 OE1 GLU A 75 19.422 12.022 -10.412 1.00 0.00 O ATOM 1160 OE2 GLU A 75 21.049 12.904 -9.275 1.00 0.00 O ATOM 0 H GLU A 75 18.175 9.260 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 75 20.801 8.066 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.464 9.988 -8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.989 9.303 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.642 11.111 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 75 20.022 11.739 -7.255 1.00 0.00 H new ATOM 1167 N GLU A 76 22.097 9.642 -5.530 1.00 0.00 N ATOM 1168 CA GLU A 76 22.782 10.448 -4.514 1.00 0.00 C ATOM 1169 C GLU A 76 23.583 11.556 -5.213 1.00 0.00 C ATOM 1170 O GLU A 76 24.669 11.312 -5.755 1.00 0.00 O ATOM 1171 CB GLU A 76 23.694 9.573 -3.626 1.00 0.00 C ATOM 1172 CG GLU A 76 24.357 10.328 -2.453 1.00 0.00 C ATOM 1173 CD GLU A 76 25.300 9.441 -1.618 1.00 0.00 C ATOM 1174 OE1 GLU A 76 26.484 9.304 -1.994 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.859 8.865 -0.596 1.00 0.00 O ATOM 0 H GLU A 76 22.710 9.005 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 76 22.041 10.901 -3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.106 8.747 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.475 9.135 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.919 11.176 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.580 10.733 -1.804 1.00 0.00 H new ATOM 1182 N ASP A 77 22.998 12.761 -5.239 1.00 0.00 N ATOM 1183 CA ASP A 77 23.672 13.997 -5.702 1.00 0.00 C ATOM 1184 C ASP A 77 24.729 14.449 -4.650 1.00 0.00 C ATOM 1185 O ASP A 77 25.581 15.296 -4.939 1.00 0.00 O ATOM 1186 CB ASP A 77 22.601 15.101 -5.964 1.00 0.00 C ATOM 1187 CG ASP A 77 23.151 16.417 -6.564 1.00 0.00 C ATOM 1188 OD1 ASP A 77 23.299 16.508 -7.806 1.00 0.00 O ATOM 1189 OD2 ASP A 77 23.442 17.368 -5.799 1.00 0.00 O ATOM 0 H ASP A 77 22.035 12.914 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 77 24.200 13.810 -6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.845 14.700 -6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.099 15.330 -5.024 1.00 0.00 H new