USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 260 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= -1.63! K(o=-1.6!,f=-3.4) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.6) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.436 K(o=-0.44,f=-1.7!) USER MOD Single : A 23 SER OG : rot -36:sc= 0.174 USER MOD Single : A 24 TYR OH : rot 29:sc= 0.301 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 51:sc= 0.0304 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 13.406 22.313 33.861 1.00 20.00 N ATOM 2 CA ASN A 1 14.085 22.106 32.568 1.00 20.00 C ATOM 3 C ASN A 1 15.297 21.207 32.765 1.00 20.00 C ATOM 4 O ASN A 1 16.289 21.620 33.366 1.00 20.00 O ATOM 5 CB ASN A 1 14.481 23.445 31.931 1.00 20.00 C ATOM 6 CG ASN A 1 14.789 23.339 30.441 1.00 20.00 C ATOM 7 OD1 ASN A 1 15.586 22.510 30.011 1.00 20.00 O ATOM 8 ND2 ASN A 1 14.181 24.220 29.651 1.00 20.00 N ATOM 0 H1 ASN A 1 12.578 22.928 33.724 1.00 20.00 H new ATOM 0 H2 ASN A 1 13.097 21.396 34.242 1.00 20.00 H new ATOM 0 H3 ASN A 1 14.063 22.762 34.530 1.00 20.00 H new ATOM 0 HA ASN A 1 13.395 21.616 31.881 1.00 20.00 H new ATOM 0 HB2 ASN A 1 13.673 24.162 32.077 1.00 20.00 H new ATOM 0 HB3 ASN A 1 15.355 23.840 32.448 1.00 20.00 H new ATOM 0 HD21 ASN A 1 14.371 24.223 28.649 1.00 20.00 H new ATOM 0 HD22 ASN A 1 13.525 24.893 30.047 1.00 20.00 H new ATOM 17 N GLU A 2 15.203 19.976 32.257 1.00 20.00 N ATOM 18 CA GLU A 2 16.249 18.968 32.380 1.00 20.00 C ATOM 19 C GLU A 2 17.517 19.336 31.613 1.00 20.00 C ATOM 20 O GLU A 2 18.607 18.992 32.056 1.00 20.00 O ATOM 21 CB GLU A 2 15.701 17.638 31.851 1.00 20.00 C ATOM 22 CG GLU A 2 16.554 16.413 32.228 1.00 20.00 C ATOM 23 CD GLU A 2 16.807 16.264 33.733 1.00 20.00 C ATOM 24 OE1 GLU A 2 15.869 16.520 34.520 1.00 20.00 O ATOM 25 OE2 GLU A 2 17.943 15.884 34.091 1.00 20.00 O ATOM 0 H GLU A 2 14.385 19.651 31.742 1.00 20.00 H new ATOM 0 HA GLU A 2 16.525 18.895 33.432 1.00 20.00 H new ATOM 0 HB2 GLU A 2 14.690 17.496 32.234 1.00 20.00 H new ATOM 0 HB3 GLU A 2 15.625 17.695 30.765 1.00 20.00 H new ATOM 0 HG2 GLU A 2 16.059 15.513 31.863 1.00 20.00 H new ATOM 0 HG3 GLU A 2 17.513 16.480 31.714 1.00 20.00 H new ATOM 32 N CYS A 3 17.375 20.032 30.478 1.00 20.00 N ATOM 33 CA CYS A 3 18.509 20.364 29.615 1.00 20.00 C ATOM 34 C CYS A 3 19.403 21.417 30.287 1.00 20.00 C ATOM 35 O CYS A 3 20.623 21.259 30.308 1.00 20.00 O ATOM 36 CB CYS A 3 18.021 20.809 28.230 1.00 20.00 C ATOM 37 SG CYS A 3 19.337 21.004 26.987 1.00 20.00 S ATOM 0 H CYS A 3 16.478 20.377 30.137 1.00 20.00 H new ATOM 0 HA CYS A 3 19.118 19.472 29.467 1.00 20.00 H new ATOM 0 HB2 CYS A 3 17.298 20.080 27.863 1.00 20.00 H new ATOM 0 HB3 CYS A 3 17.494 21.757 28.333 1.00 20.00 H new ATOM 42 N VAL A 4 18.789 22.446 30.893 1.00 20.00 N ATOM 43 CA VAL A 4 19.460 23.474 31.689 1.00 20.00 C ATOM 44 C VAL A 4 20.038 22.883 32.985 1.00 20.00 C ATOM 45 O VAL A 4 21.142 23.259 33.377 1.00 20.00 O ATOM 46 CB VAL A 4 18.472 24.621 32.003 1.00 20.00 C ATOM 47 CG1 VAL A 4 19.109 25.702 32.889 1.00 20.00 C ATOM 48 CG2 VAL A 4 17.963 25.292 30.719 1.00 20.00 C ATOM 0 H VAL A 4 17.780 22.585 30.838 1.00 20.00 H new ATOM 0 HA VAL A 4 20.293 23.872 31.110 1.00 20.00 H new ATOM 0 HB VAL A 4 17.640 24.161 32.536 1.00 20.00 H new ATOM 0 HG11 VAL A 4 18.380 26.488 33.085 1.00 20.00 H new ATOM 0 HG12 VAL A 4 19.426 25.258 33.833 1.00 20.00 H new ATOM 0 HG13 VAL A 4 19.973 26.128 32.379 1.00 20.00 H new ATOM 0 HG21 VAL A 4 17.271 26.093 30.977 1.00 20.00 H new ATOM 0 HG22 VAL A 4 18.806 25.705 30.165 1.00 20.00 H new ATOM 0 HG23 VAL A 4 17.450 24.554 30.102 1.00 20.00 H new ATOM 58 N SER A 5 19.307 21.968 33.644 1.00 20.00 N ATOM 59 CA SER A 5 19.710 21.344 34.905 1.00 20.00 C ATOM 60 C SER A 5 20.921 20.415 34.736 1.00 20.00 C ATOM 61 O SER A 5 21.748 20.323 35.643 1.00 20.00 O ATOM 62 CB SER A 5 18.513 20.586 35.491 1.00 20.00 C ATOM 63 OG SER A 5 18.813 20.106 36.784 1.00 20.00 O ATOM 0 H SER A 5 18.403 21.639 33.304 1.00 20.00 H new ATOM 0 HA SER A 5 20.022 22.130 35.593 1.00 20.00 H new ATOM 0 HB2 SER A 5 17.645 21.244 35.534 1.00 20.00 H new ATOM 0 HB3 SER A 5 18.250 19.752 34.840 1.00 20.00 H new ATOM 0 HG SER A 5 18.037 19.626 37.143 1.00 20.00 H new ATOM 69 N LYS A 6 21.048 19.770 33.567 1.00 20.00 N ATOM 70 CA LYS A 6 22.213 18.992 33.145 1.00 20.00 C ATOM 71 C LYS A 6 23.396 19.884 32.725 1.00 20.00 C ATOM 72 O LYS A 6 24.497 19.366 32.546 1.00 20.00 O ATOM 73 CB LYS A 6 21.796 18.084 31.976 1.00 20.00 C ATOM 74 CG LYS A 6 20.898 16.906 32.391 1.00 20.00 C ATOM 75 CD LYS A 6 21.710 15.695 32.862 1.00 20.00 C ATOM 76 CE LYS A 6 20.758 14.564 33.256 1.00 20.00 C ATOM 77 NZ LYS A 6 21.485 13.309 33.521 1.00 20.00 N ATOM 0 H LYS A 6 20.309 19.779 32.864 1.00 20.00 H new ATOM 0 HA LYS A 6 22.554 18.399 33.993 1.00 20.00 H new ATOM 0 HB2 LYS A 6 21.271 18.684 31.232 1.00 20.00 H new ATOM 0 HB3 LYS A 6 22.692 17.693 31.495 1.00 20.00 H new ATOM 0 HG2 LYS A 6 20.229 17.226 33.190 1.00 20.00 H new ATOM 0 HG3 LYS A 6 20.271 16.615 31.548 1.00 20.00 H new ATOM 0 HD2 LYS A 6 22.379 15.362 32.069 1.00 20.00 H new ATOM 0 HD3 LYS A 6 22.335 15.971 33.711 1.00 20.00 H new ATOM 0 HE2 LYS A 6 20.196 14.854 34.144 1.00 20.00 H new ATOM 0 HE3 LYS A 6 20.033 14.403 32.458 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 20.808 12.565 33.785 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 22.001 13.020 32.666 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 22.159 13.456 34.299 1.00 20.00 H new ATOM 91 N GLY A 7 23.194 21.205 32.588 1.00 20.00 N ATOM 92 CA GLY A 7 24.228 22.188 32.275 1.00 20.00 C ATOM 93 C GLY A 7 24.369 22.512 30.783 1.00 20.00 C ATOM 94 O GLY A 7 25.176 23.376 30.440 1.00 20.00 O ATOM 0 H GLY A 7 22.271 21.626 32.697 1.00 20.00 H new ATOM 0 HA2 GLY A 7 24.010 23.110 32.815 1.00 20.00 H new ATOM 0 HA3 GLY A 7 25.185 21.820 32.646 1.00 20.00 H new ATOM 98 N PHE A 8 23.604 21.848 29.903 1.00 20.00 N ATOM 99 CA PHE A 8 23.588 22.114 28.465 1.00 20.00 C ATOM 100 C PHE A 8 22.779 23.378 28.129 1.00 20.00 C ATOM 101 O PHE A 8 22.092 23.939 28.985 1.00 20.00 O ATOM 102 CB PHE A 8 23.031 20.897 27.718 1.00 20.00 C ATOM 103 CG PHE A 8 23.779 19.601 27.964 1.00 20.00 C ATOM 104 CD1 PHE A 8 23.187 18.584 28.732 1.00 20.00 C ATOM 105 CD2 PHE A 8 25.049 19.395 27.399 1.00 20.00 C ATOM 106 CE1 PHE A 8 23.842 17.353 28.909 1.00 20.00 C ATOM 107 CE2 PHE A 8 25.707 18.162 27.573 1.00 20.00 C ATOM 108 CZ PHE A 8 25.101 17.140 28.323 1.00 20.00 C ATOM 0 H PHE A 8 22.970 21.099 30.180 1.00 20.00 H new ATOM 0 HA PHE A 8 24.613 22.294 28.141 1.00 20.00 H new ATOM 0 HB2 PHE A 8 21.989 20.758 28.005 1.00 20.00 H new ATOM 0 HB3 PHE A 8 23.042 21.109 26.649 1.00 20.00 H new ATOM 0 HD1 PHE A 8 22.223 18.749 29.189 1.00 20.00 H new ATOM 0 HD2 PHE A 8 25.521 20.183 26.831 1.00 20.00 H new ATOM 0 HE1 PHE A 8 23.378 16.573 29.494 1.00 20.00 H new ATOM 0 HE2 PHE A 8 26.679 18.002 27.129 1.00 20.00 H new ATOM 0 HZ PHE A 8 25.602 16.192 28.449 1.00 20.00 H new ATOM 118 N GLY A 9 22.871 23.823 26.867 1.00 20.00 N ATOM 119 CA GLY A 9 22.238 25.049 26.387 1.00 20.00 C ATOM 120 C GLY A 9 20.867 24.806 25.747 1.00 20.00 C ATOM 121 O GLY A 9 20.560 23.706 25.282 1.00 20.00 O ATOM 0 H GLY A 9 23.396 23.330 26.145 1.00 20.00 H new ATOM 0 HA2 GLY A 9 22.126 25.743 27.220 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.893 25.528 25.659 1.00 20.00 H new ATOM 125 N CYS A 10 20.076 25.886 25.673 1.00 20.00 N ATOM 126 CA CYS A 10 18.775 25.950 25.013 1.00 20.00 C ATOM 127 C CYS A 10 18.791 27.078 23.977 1.00 20.00 C ATOM 128 O CYS A 10 18.081 28.078 24.099 1.00 20.00 O ATOM 129 CB CYS A 10 17.649 26.107 26.051 1.00 20.00 C ATOM 130 SG CYS A 10 17.369 24.687 27.140 1.00 20.00 S ATOM 0 H CYS A 10 20.343 26.777 26.093 1.00 20.00 H new ATOM 0 HA CYS A 10 18.576 25.017 24.485 1.00 20.00 H new ATOM 0 HB2 CYS A 10 17.871 26.976 26.670 1.00 20.00 H new ATOM 0 HB3 CYS A 10 16.721 26.322 25.521 1.00 20.00 H new ATOM 135 N LEU A 11 19.621 26.896 22.942 1.00 20.00 N ATOM 136 CA LEU A 11 19.721 27.783 21.785 1.00 20.00 C ATOM 137 C LEU A 11 18.422 27.781 20.958 1.00 20.00 C ATOM 138 O LEU A 11 17.613 26.859 21.078 1.00 20.00 O ATOM 139 CB LEU A 11 20.907 27.323 20.908 1.00 20.00 C ATOM 140 CG LEU A 11 22.276 27.803 21.417 1.00 20.00 C ATOM 141 CD1 LEU A 11 23.434 27.085 20.714 1.00 20.00 C ATOM 142 CD2 LEU A 11 22.501 29.322 21.401 1.00 20.00 C ATOM 0 H LEU A 11 20.259 26.102 22.889 1.00 20.00 H new ATOM 0 HA LEU A 11 19.883 28.802 22.137 1.00 20.00 H new ATOM 0 HB2 LEU A 11 20.909 26.234 20.858 1.00 20.00 H new ATOM 0 HB3 LEU A 11 20.759 27.688 19.892 1.00 20.00 H new ATOM 0 HG LEU A 11 22.261 27.528 22.472 1.00 20.00 H new ATOM 0 HD11 LEU A 11 24.382 27.455 21.104 1.00 20.00 H new ATOM 0 HD12 LEU A 11 23.361 26.013 20.895 1.00 20.00 H new ATOM 0 HD13 LEU A 11 23.384 27.276 19.642 1.00 20.00 H new ATOM 0 HD21 LEU A 11 23.498 29.546 21.780 1.00 20.00 H new ATOM 0 HD22 LEU A 11 22.409 29.693 20.380 1.00 20.00 H new ATOM 0 HD23 LEU A 11 21.755 29.807 22.031 1.00 20.00 H new ATOM 154 N PRO A 12 18.232 28.783 20.081 1.00 20.00 N ATOM 155 CA PRO A 12 17.175 28.770 19.075 1.00 20.00 C ATOM 156 C PRO A 12 17.501 27.766 17.954 1.00 20.00 C ATOM 157 O PRO A 12 18.615 27.249 17.868 1.00 20.00 O ATOM 158 CB PRO A 12 17.113 30.215 18.564 1.00 20.00 C ATOM 159 CG PRO A 12 18.561 30.694 18.692 1.00 20.00 C ATOM 160 CD PRO A 12 19.056 29.977 19.949 1.00 20.00 C ATOM 0 HA PRO A 12 16.213 28.449 19.474 1.00 20.00 H new ATOM 0 HB2 PRO A 12 16.763 30.263 17.533 1.00 20.00 H new ATOM 0 HB3 PRO A 12 16.433 30.824 19.160 1.00 20.00 H new ATOM 0 HG2 PRO A 12 19.153 30.426 17.816 1.00 20.00 H new ATOM 0 HG3 PRO A 12 18.619 31.777 18.797 1.00 20.00 H new ATOM 0 HD2 PRO A 12 20.110 29.715 19.859 1.00 20.00 H new ATOM 0 HD3 PRO A 12 18.960 30.616 20.826 1.00 20.00 H new ATOM 168 N GLN A 13 16.529 27.519 17.067 1.00 20.00 N ATOM 169 CA GLN A 13 16.678 26.654 15.895 1.00 20.00 C ATOM 170 C GLN A 13 17.764 27.154 14.929 1.00 20.00 C ATOM 171 O GLN A 13 18.374 26.345 14.231 1.00 20.00 O ATOM 172 CB GLN A 13 15.323 26.552 15.169 1.00 20.00 C ATOM 173 CG GLN A 13 14.284 25.684 15.906 1.00 20.00 C ATOM 174 CD GLN A 13 14.466 24.179 15.686 1.00 20.00 C ATOM 175 OE1 GLN A 13 15.547 23.701 15.351 1.00 20.00 O ATOM 176 NE2 GLN A 13 13.390 23.414 15.863 1.00 20.00 N ATOM 0 H GLN A 13 15.597 27.925 17.148 1.00 20.00 H new ATOM 0 HA GLN A 13 16.996 25.671 16.241 1.00 20.00 H new ATOM 0 HB2 GLN A 13 14.916 27.555 15.037 1.00 20.00 H new ATOM 0 HB3 GLN A 13 15.485 26.140 14.173 1.00 20.00 H new ATOM 0 HG2 GLN A 13 14.341 25.895 16.974 1.00 20.00 H new ATOM 0 HG3 GLN A 13 13.285 25.971 15.577 1.00 20.00 H new ATOM 0 HE21 GLN A 13 12.504 23.836 16.141 1.00 20.00 H new ATOM 0 HE22 GLN A 13 13.452 22.406 15.720 1.00 20.00 H new ATOM 185 N SER A 14 18.037 28.467 14.906 1.00 20.00 N ATOM 186 CA SER A 14 19.075 29.092 14.083 1.00 20.00 C ATOM 187 C SER A 14 20.504 28.848 14.594 1.00 20.00 C ATOM 188 O SER A 14 21.448 29.131 13.859 1.00 20.00 O ATOM 189 CB SER A 14 18.815 30.600 13.979 1.00 20.00 C ATOM 190 OG SER A 14 17.586 30.846 13.328 1.00 20.00 O ATOM 0 H SER A 14 17.525 29.140 15.477 1.00 20.00 H new ATOM 0 HA SER A 14 19.014 28.620 13.102 1.00 20.00 H new ATOM 0 HB2 SER A 14 18.801 31.042 14.975 1.00 20.00 H new ATOM 0 HB3 SER A 14 19.626 31.078 13.430 1.00 20.00 H new ATOM 0 HG SER A 14 17.434 31.812 13.271 1.00 20.00 H new ATOM 196 N ASP A 15 20.674 28.304 15.810 1.00 20.00 N ATOM 197 CA ASP A 15 21.970 28.058 16.448 1.00 20.00 C ATOM 198 C ASP A 15 22.143 26.607 16.927 1.00 20.00 C ATOM 199 O ASP A 15 23.237 26.250 17.360 1.00 20.00 O ATOM 200 CB ASP A 15 22.173 29.065 17.597 1.00 20.00 C ATOM 201 CG ASP A 15 23.492 29.822 17.453 1.00 20.00 C ATOM 202 OD1 ASP A 15 23.516 30.757 16.621 1.00 20.00 O ATOM 203 OD2 ASP A 15 24.453 29.482 18.178 1.00 20.00 O ATOM 0 H ASP A 15 19.887 28.016 16.391 1.00 20.00 H new ATOM 0 HA ASP A 15 22.745 28.206 15.696 1.00 20.00 H new ATOM 0 HB2 ASP A 15 21.345 29.774 17.611 1.00 20.00 H new ATOM 0 HB3 ASP A 15 22.157 28.538 18.551 1.00 20.00 H new ATOM 208 N CYS A 16 21.098 25.771 16.822 1.00 20.00 N ATOM 209 CA CYS A 16 21.082 24.385 17.272 1.00 20.00 C ATOM 210 C CYS A 16 20.698 23.461 16.102 1.00 20.00 C ATOM 211 O CYS A 16 19.526 23.104 15.967 1.00 20.00 O ATOM 212 CB CYS A 16 20.155 24.262 18.488 1.00 20.00 C ATOM 213 SG CYS A 16 20.023 22.608 19.223 1.00 20.00 S ATOM 0 H CYS A 16 20.213 26.060 16.405 1.00 20.00 H new ATOM 0 HA CYS A 16 22.073 24.067 17.597 1.00 20.00 H new ATOM 0 HB2 CYS A 16 20.503 24.953 19.256 1.00 20.00 H new ATOM 0 HB3 CYS A 16 19.157 24.588 18.194 1.00 20.00 H new ATOM 218 N PRO A 17 21.667 23.076 15.244 1.00 20.00 N ATOM 219 CA PRO A 17 21.454 22.148 14.134 1.00 20.00 C ATOM 220 C PRO A 17 21.347 20.693 14.615 1.00 20.00 C ATOM 221 O PRO A 17 21.601 20.385 15.781 1.00 20.00 O ATOM 222 CB PRO A 17 22.680 22.339 13.230 1.00 20.00 C ATOM 223 CG PRO A 17 23.784 22.645 14.238 1.00 20.00 C ATOM 224 CD PRO A 17 23.056 23.522 15.254 1.00 20.00 C ATOM 0 HA PRO A 17 20.516 22.350 13.616 1.00 20.00 H new ATOM 0 HB2 PRO A 17 22.898 21.444 12.647 1.00 20.00 H new ATOM 0 HB3 PRO A 17 22.539 23.155 12.521 1.00 20.00 H new ATOM 0 HG2 PRO A 17 24.183 21.739 14.694 1.00 20.00 H new ATOM 0 HG3 PRO A 17 24.623 23.166 13.777 1.00 20.00 H new ATOM 0 HD2 PRO A 17 23.493 23.415 16.247 1.00 20.00 H new ATOM 0 HD3 PRO A 17 23.130 24.576 14.985 1.00 20.00 H new ATOM 232 N GLN A 18 21.016 19.790 13.680 1.00 20.00 N ATOM 233 CA GLN A 18 20.995 18.345 13.893 1.00 20.00 C ATOM 234 C GLN A 18 22.385 17.762 14.211 1.00 20.00 C ATOM 235 O GLN A 18 22.468 16.633 14.694 1.00 20.00 O ATOM 236 CB GLN A 18 20.411 17.636 12.656 1.00 20.00 C ATOM 237 CG GLN A 18 19.025 18.148 12.227 1.00 20.00 C ATOM 238 CD GLN A 18 19.102 19.258 11.176 1.00 20.00 C ATOM 239 OE1 GLN A 18 19.065 20.441 11.504 1.00 20.00 O ATOM 240 NE2 GLN A 18 19.212 18.882 9.903 1.00 20.00 N ATOM 0 H GLN A 18 20.750 20.057 12.732 1.00 20.00 H new ATOM 0 HA GLN A 18 20.364 18.168 14.764 1.00 20.00 H new ATOM 0 HB2 GLN A 18 21.103 17.756 11.823 1.00 20.00 H new ATOM 0 HB3 GLN A 18 20.343 16.568 12.863 1.00 20.00 H new ATOM 0 HG2 GLN A 18 18.443 17.317 11.829 1.00 20.00 H new ATOM 0 HG3 GLN A 18 18.493 18.519 13.103 1.00 20.00 H new ATOM 0 HE21 GLN A 18 19.240 17.891 9.665 1.00 20.00 H new ATOM 0 HE22 GLN A 18 19.268 19.585 9.167 1.00 20.00 H new ATOM 249 N GLU A 19 23.465 18.521 13.967 1.00 20.00 N ATOM 250 CA GLU A 19 24.838 18.130 14.273 1.00 20.00 C ATOM 251 C GLU A 19 25.184 18.279 15.760 1.00 20.00 C ATOM 252 O GLU A 19 26.037 17.544 16.256 1.00 20.00 O ATOM 253 CB GLU A 19 25.822 18.998 13.466 1.00 20.00 C ATOM 254 CG GLU A 19 25.604 18.997 11.946 1.00 20.00 C ATOM 255 CD GLU A 19 25.594 17.594 11.336 1.00 20.00 C ATOM 256 OE1 GLU A 19 26.608 16.879 11.502 1.00 20.00 O ATOM 257 OE2 GLU A 19 24.576 17.258 10.692 1.00 20.00 O ATOM 0 H GLU A 19 23.399 19.445 13.541 1.00 20.00 H new ATOM 0 HA GLU A 19 24.924 17.077 14.005 1.00 20.00 H new ATOM 0 HB2 GLU A 19 25.754 20.025 13.825 1.00 20.00 H new ATOM 0 HB3 GLU A 19 26.836 18.655 13.671 1.00 20.00 H new ATOM 0 HG2 GLU A 19 24.658 19.490 11.721 1.00 20.00 H new ATOM 0 HG3 GLU A 19 26.390 19.586 11.473 1.00 20.00 H new ATOM 264 N ALA A 20 24.543 19.227 16.458 1.00 20.00 N ATOM 265 CA ALA A 20 24.889 19.627 17.820 1.00 20.00 C ATOM 266 C ALA A 20 23.851 19.197 18.866 1.00 20.00 C ATOM 267 O ALA A 20 24.122 19.324 20.063 1.00 20.00 O ATOM 268 CB ALA A 20 25.096 21.146 17.836 1.00 20.00 C ATOM 0 H ALA A 20 23.752 19.746 16.078 1.00 20.00 H new ATOM 0 HA ALA A 20 25.807 19.112 18.104 1.00 20.00 H new ATOM 0 HB1 ALA A 20 25.356 21.467 18.845 1.00 20.00 H new ATOM 0 HB2 ALA A 20 25.902 21.411 17.152 1.00 20.00 H new ATOM 0 HB3 ALA A 20 24.177 21.642 17.523 1.00 20.00 H new ATOM 274 N ARG A 21 22.687 18.681 18.437 1.00 20.00 N ATOM 275 CA ARG A 21 21.617 18.243 19.335 1.00 20.00 C ATOM 276 C ARG A 21 21.993 16.970 20.103 1.00 20.00 C ATOM 277 O ARG A 21 22.860 16.205 19.675 1.00 20.00 O ATOM 278 CB ARG A 21 20.305 18.059 18.554 1.00 20.00 C ATOM 279 CG ARG A 21 20.328 16.921 17.529 1.00 20.00 C ATOM 280 CD ARG A 21 18.929 16.724 16.931 1.00 20.00 C ATOM 281 NE ARG A 21 18.977 15.986 15.662 1.00 20.00 N ATOM 282 CZ ARG A 21 19.277 14.691 15.478 1.00 20.00 C ATOM 283 NH1 ARG A 21 19.553 13.874 16.496 1.00 20.00 N ATOM 284 NH2 ARG A 21 19.302 14.190 14.244 1.00 20.00 N ATOM 0 H ARG A 21 22.465 18.557 17.449 1.00 20.00 H new ATOM 0 HA ARG A 21 21.469 19.025 20.080 1.00 20.00 H new ATOM 0 HB2 ARG A 21 19.498 17.875 19.263 1.00 20.00 H new ATOM 0 HB3 ARG A 21 20.071 18.990 18.038 1.00 20.00 H new ATOM 0 HG2 ARG A 21 21.042 17.148 16.737 1.00 20.00 H new ATOM 0 HG3 ARG A 21 20.662 15.999 18.005 1.00 20.00 H new ATOM 0 HD2 ARG A 21 18.303 16.185 17.642 1.00 20.00 H new ATOM 0 HD3 ARG A 21 18.463 17.696 16.769 1.00 20.00 H new ATOM 0 HE ARG A 21 18.756 16.521 14.822 1.00 20.00 H new ATOM 0 HH11 ARG A 21 19.540 14.228 17.452 1.00 20.00 H new ATOM 0 HH12 ARG A 21 19.777 12.895 16.318 1.00 20.00 H new ATOM 0 HH21 ARG A 21 19.094 14.790 13.446 1.00 20.00 H new ATOM 0 HH22 ARG A 21 19.529 13.207 14.097 1.00 20.00 H new ATOM 298 N LEU A 22 21.298 16.731 21.222 1.00 20.00 N ATOM 299 CA LEU A 22 21.469 15.558 22.078 1.00 20.00 C ATOM 300 C LEU A 22 20.393 14.501 21.783 1.00 20.00 C ATOM 301 O LEU A 22 19.503 14.711 20.956 1.00 20.00 O ATOM 302 CB LEU A 22 21.457 16.021 23.549 1.00 20.00 C ATOM 303 CG LEU A 22 22.749 16.776 23.930 1.00 20.00 C ATOM 304 CD1 LEU A 22 22.531 17.618 25.189 1.00 20.00 C ATOM 305 CD2 LEU A 22 23.919 15.807 24.166 1.00 20.00 C ATOM 0 H LEU A 22 20.580 17.370 21.564 1.00 20.00 H new ATOM 0 HA LEU A 22 22.426 15.077 21.873 1.00 20.00 H new ATOM 0 HB2 LEU A 22 20.596 16.668 23.718 1.00 20.00 H new ATOM 0 HB3 LEU A 22 21.338 15.155 24.200 1.00 20.00 H new ATOM 0 HG LEU A 22 22.999 17.428 23.093 1.00 20.00 H new ATOM 0 HD11 LEU A 22 23.453 18.142 25.441 1.00 20.00 H new ATOM 0 HD12 LEU A 22 21.739 18.344 25.008 1.00 20.00 H new ATOM 0 HD13 LEU A 22 22.246 16.968 26.016 1.00 20.00 H new ATOM 0 HD21 LEU A 22 24.812 16.373 24.432 1.00 20.00 H new ATOM 0 HD22 LEU A 22 23.667 15.123 24.977 1.00 20.00 H new ATOM 0 HD23 LEU A 22 24.108 15.237 23.256 1.00 20.00 H new ATOM 317 N SER A 23 20.488 13.351 22.465 1.00 20.00 N ATOM 318 CA SER A 23 19.546 12.233 22.357 1.00 20.00 C ATOM 319 C SER A 23 18.167 12.537 22.983 1.00 20.00 C ATOM 320 O SER A 23 17.249 11.724 22.861 1.00 20.00 O ATOM 321 CB SER A 23 20.191 10.994 22.997 1.00 20.00 C ATOM 322 OG SER A 23 19.487 9.823 22.643 1.00 20.00 O ATOM 0 H SER A 23 21.244 13.170 23.125 1.00 20.00 H new ATOM 0 HA SER A 23 19.346 12.052 21.301 1.00 20.00 H new ATOM 0 HB2 SER A 23 21.229 10.911 22.674 1.00 20.00 H new ATOM 0 HB3 SER A 23 20.202 11.103 24.081 1.00 20.00 H new ATOM 0 HG SER A 23 18.529 10.021 22.591 1.00 20.00 H new ATOM 328 N TYR A 24 18.007 13.703 23.629 1.00 20.00 N ATOM 329 CA TYR A 24 16.784 14.166 24.283 1.00 20.00 C ATOM 330 C TYR A 24 16.561 15.668 24.039 1.00 20.00 C ATOM 331 O TYR A 24 17.395 16.338 23.425 1.00 20.00 O ATOM 332 CB TYR A 24 16.853 13.836 25.784 1.00 20.00 C ATOM 333 CG TYR A 24 17.750 14.749 26.602 1.00 20.00 C ATOM 334 CD1 TYR A 24 19.150 14.648 26.499 1.00 20.00 C ATOM 335 CD2 TYR A 24 17.178 15.710 27.464 1.00 20.00 C ATOM 336 CE1 TYR A 24 19.979 15.487 27.264 1.00 20.00 C ATOM 337 CE2 TYR A 24 17.998 16.559 28.224 1.00 20.00 C ATOM 338 CZ TYR A 24 19.405 16.445 28.127 1.00 20.00 C ATOM 339 OH TYR A 24 20.205 17.247 28.876 1.00 20.00 O ATOM 0 H TYR A 24 18.768 14.378 23.710 1.00 20.00 H new ATOM 0 HA TYR A 24 15.927 13.648 23.853 1.00 20.00 H new ATOM 0 HB2 TYR A 24 15.845 13.878 26.196 1.00 20.00 H new ATOM 0 HB3 TYR A 24 17.202 12.810 25.899 1.00 20.00 H new ATOM 0 HD1 TYR A 24 19.589 13.923 25.830 1.00 20.00 H new ATOM 0 HD2 TYR A 24 16.104 15.792 27.539 1.00 20.00 H new ATOM 0 HE1 TYR A 24 21.053 15.399 27.191 1.00 20.00 H new ATOM 0 HE2 TYR A 24 17.557 17.295 28.879 1.00 20.00 H new ATOM 0 HH TYR A 24 21.058 17.383 28.413 1.00 20.00 H new ATOM 349 N GLY A 25 15.428 16.190 24.527 1.00 20.00 N ATOM 350 CA GLY A 25 14.984 17.558 24.306 1.00 20.00 C ATOM 351 C GLY A 25 14.294 18.139 25.535 1.00 20.00 C ATOM 352 O GLY A 25 13.077 18.318 25.518 1.00 20.00 O ATOM 0 H GLY A 25 14.782 15.650 25.102 1.00 20.00 H new ATOM 0 HA2 GLY A 25 15.840 18.179 24.043 1.00 20.00 H new ATOM 0 HA3 GLY A 25 14.299 17.585 23.459 1.00 20.00 H new ATOM 356 N GLY A 26 15.073 18.457 26.579 1.00 20.00 N ATOM 357 CA GLY A 26 14.563 19.046 27.816 1.00 20.00 C ATOM 358 C GLY A 26 14.178 20.528 27.693 1.00 20.00 C ATOM 359 O GLY A 26 13.415 21.014 28.527 1.00 20.00 O ATOM 0 H GLY A 26 16.082 18.310 26.584 1.00 20.00 H new ATOM 0 HA2 GLY A 26 13.690 18.481 28.142 1.00 20.00 H new ATOM 0 HA3 GLY A 26 15.319 18.941 28.594 1.00 20.00 H new ATOM 363 N CYS A 27 14.675 21.235 26.664 1.00 20.00 N ATOM 364 CA CYS A 27 14.359 22.634 26.379 1.00 20.00 C ATOM 365 C CYS A 27 12.915 22.823 25.887 1.00 20.00 C ATOM 366 O CYS A 27 12.150 21.866 25.754 1.00 20.00 O ATOM 367 CB CYS A 27 15.349 23.185 25.349 1.00 20.00 C ATOM 368 SG CYS A 27 17.081 23.142 25.851 1.00 20.00 S ATOM 0 H CYS A 27 15.327 20.831 25.991 1.00 20.00 H new ATOM 0 HA CYS A 27 14.449 23.189 27.313 1.00 20.00 H new ATOM 0 HB2 CYS A 27 15.241 22.618 24.425 1.00 20.00 H new ATOM 0 HB3 CYS A 27 15.078 24.216 25.123 1.00 20.00 H new ATOM 373 N SER A 28 12.552 24.084 25.612 1.00 20.00 N ATOM 374 CA SER A 28 11.225 24.493 25.161 1.00 20.00 C ATOM 375 C SER A 28 11.070 24.386 23.639 1.00 20.00 C ATOM 376 O SER A 28 9.951 24.518 23.143 1.00 20.00 O ATOM 377 CB SER A 28 10.932 25.924 25.631 1.00 20.00 C ATOM 378 OG SER A 28 10.990 26.011 27.041 1.00 20.00 O ATOM 0 H SER A 28 13.198 24.868 25.702 1.00 20.00 H new ATOM 0 HA SER A 28 10.501 23.809 25.604 1.00 20.00 H new ATOM 0 HB2 SER A 28 11.654 26.611 25.190 1.00 20.00 H new ATOM 0 HB3 SER A 28 9.946 26.231 25.283 1.00 20.00 H new ATOM 0 HG SER A 28 10.802 26.931 27.320 1.00 20.00 H new ATOM 384 N THR A 29 12.163 24.124 22.902 1.00 20.00 N ATOM 385 CA THR A 29 12.128 23.800 21.481 1.00 20.00 C ATOM 386 C THR A 29 13.265 22.846 21.084 1.00 20.00 C ATOM 387 O THR A 29 12.965 21.806 20.496 1.00 20.00 O ATOM 388 CB THR A 29 12.043 25.078 20.616 1.00 20.00 C ATOM 389 OG1 THR A 29 12.070 24.734 19.245 1.00 20.00 O ATOM 390 CG2 THR A 29 13.112 26.144 20.889 1.00 20.00 C ATOM 0 H THR A 29 13.106 24.134 23.291 1.00 20.00 H new ATOM 0 HA THR A 29 11.211 23.246 21.278 1.00 20.00 H new ATOM 0 HB THR A 29 11.097 25.539 20.901 1.00 20.00 H new ATOM 0 HG1 THR A 29 12.014 25.548 18.702 1.00 20.00 H new ATOM 0 HG21 THR A 29 12.955 26.995 20.226 1.00 20.00 H new ATOM 0 HG22 THR A 29 13.041 26.474 21.925 1.00 20.00 H new ATOM 0 HG23 THR A 29 14.101 25.722 20.710 1.00 20.00 H new ATOM 398 N VAL A 30 14.534 23.161 21.408 1.00 20.00 N ATOM 399 CA VAL A 30 15.705 22.335 21.055 1.00 20.00 C ATOM 400 C VAL A 30 16.819 22.433 22.111 1.00 20.00 C ATOM 401 O VAL A 30 17.043 23.495 22.689 1.00 20.00 O ATOM 402 CB VAL A 30 16.262 22.675 19.647 1.00 20.00 C ATOM 403 CG1 VAL A 30 15.335 22.202 18.520 1.00 20.00 C ATOM 404 CG2 VAL A 30 16.595 24.157 19.426 1.00 20.00 C ATOM 0 H VAL A 30 14.777 24.004 21.927 1.00 20.00 H new ATOM 0 HA VAL A 30 15.351 21.304 21.032 1.00 20.00 H new ATOM 0 HB VAL A 30 17.201 22.124 19.611 1.00 20.00 H new ATOM 0 HG11 VAL A 30 15.771 22.464 17.556 1.00 20.00 H new ATOM 0 HG12 VAL A 30 15.212 21.121 18.580 1.00 20.00 H new ATOM 0 HG13 VAL A 30 14.363 22.684 18.622 1.00 20.00 H new ATOM 0 HG21 VAL A 30 16.977 24.297 18.415 1.00 20.00 H new ATOM 0 HG22 VAL A 30 15.694 24.756 19.560 1.00 20.00 H new ATOM 0 HG23 VAL A 30 17.350 24.472 20.146 1.00 20.00 H new ATOM 414 N CYS A 31 17.533 21.315 22.324 1.00 20.00 N ATOM 415 CA CYS A 31 18.542 21.099 23.364 1.00 20.00 C ATOM 416 C CYS A 31 19.869 20.702 22.708 1.00 20.00 C ATOM 417 O CYS A 31 19.973 19.623 22.121 1.00 20.00 O ATOM 418 CB CYS A 31 18.023 20.020 24.335 1.00 20.00 C ATOM 419 SG CYS A 31 19.125 19.453 25.671 1.00 20.00 S ATOM 0 H CYS A 31 17.410 20.490 21.737 1.00 20.00 H new ATOM 0 HA CYS A 31 18.721 22.010 23.935 1.00 20.00 H new ATOM 0 HB2 CYS A 31 17.111 20.399 24.796 1.00 20.00 H new ATOM 0 HB3 CYS A 31 17.743 19.148 23.744 1.00 20.00 H new ATOM 424 N CYS A 32 20.869 21.592 22.806 1.00 20.00 N ATOM 425 CA CYS A 32 22.191 21.440 22.203 1.00 20.00 C ATOM 426 C CYS A 32 23.301 21.472 23.256 1.00 20.00 C ATOM 427 O CYS A 32 23.258 22.256 24.203 1.00 20.00 O ATOM 428 CB CYS A 32 22.427 22.532 21.147 1.00 20.00 C ATOM 429 SG CYS A 32 21.954 22.032 19.473 1.00 20.00 S ATOM 0 H CYS A 32 20.770 22.464 23.326 1.00 20.00 H new ATOM 0 HA CYS A 32 22.221 20.464 21.719 1.00 20.00 H new ATOM 0 HB2 CYS A 32 21.863 23.423 21.425 1.00 20.00 H new ATOM 0 HB3 CYS A 32 23.481 22.808 21.151 1.00 20.00 H new ATOM 434 N ASP A 33 24.326 20.638 23.029 1.00 20.00 N ATOM 435 CA ASP A 33 25.567 20.605 23.793 1.00 20.00 C ATOM 436 C ASP A 33 26.607 21.520 23.140 1.00 20.00 C ATOM 437 O ASP A 33 26.762 21.529 21.918 1.00 20.00 O ATOM 438 CB ASP A 33 26.061 19.153 23.891 1.00 20.00 C ATOM 439 CG ASP A 33 27.492 19.022 24.416 1.00 20.00 C ATOM 440 OD1 ASP A 33 27.797 19.662 25.446 1.00 20.00 O ATOM 441 OD2 ASP A 33 28.267 18.267 23.789 1.00 20.00 O ATOM 0 H ASP A 33 24.306 19.946 22.280 1.00 20.00 H new ATOM 0 HA ASP A 33 25.397 20.975 24.804 1.00 20.00 H new ATOM 0 HB2 ASP A 33 25.391 18.595 24.545 1.00 20.00 H new ATOM 0 HB3 ASP A 33 26.002 18.692 22.905 1.00 20.00 H new ATOM 446 N LEU A 34 27.326 22.264 23.990 1.00 20.00 N ATOM 447 CA LEU A 34 28.233 23.361 23.655 1.00 20.00 C ATOM 448 C LEU A 34 29.648 23.135 24.232 1.00 20.00 C ATOM 449 O LEU A 34 30.445 24.071 24.270 1.00 20.00 O ATOM 450 CB LEU A 34 27.624 24.695 24.147 1.00 20.00 C ATOM 451 CG LEU A 34 26.144 24.935 23.768 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.646 26.248 24.384 1.00 20.00 C ATOM 453 CD2 LEU A 34 25.924 24.986 22.251 1.00 20.00 C ATOM 0 H LEU A 34 27.284 22.102 24.996 1.00 20.00 H new ATOM 0 HA LEU A 34 28.348 23.401 22.572 1.00 20.00 H new ATOM 0 HB2 LEU A 34 27.713 24.736 25.233 1.00 20.00 H new ATOM 0 HB3 LEU A 34 28.220 25.515 23.747 1.00 20.00 H new ATOM 0 HG LEU A 34 25.581 24.089 24.162 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.603 26.406 24.110 1.00 20.00 H new ATOM 0 HD12 LEU A 34 25.732 26.196 25.469 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.248 27.076 24.011 1.00 20.00 H new ATOM 0 HD21 LEU A 34 24.868 25.157 22.042 1.00 20.00 H new ATOM 0 HD22 LEU A 34 26.514 25.797 21.825 1.00 20.00 H new ATOM 0 HD23 LEU A 34 26.234 24.040 21.806 1.00 20.00 H new ATOM 465 N SER A 35 29.962 21.905 24.677 1.00 20.00 N ATOM 466 CA SER A 35 31.204 21.503 25.341 1.00 20.00 C ATOM 467 C SER A 35 32.484 21.716 24.510 1.00 20.00 C ATOM 468 O SER A 35 33.566 21.750 25.097 1.00 20.00 O ATOM 469 CB SER A 35 31.075 20.026 25.741 1.00 20.00 C ATOM 470 OG SER A 35 32.171 19.602 26.521 1.00 20.00 O ATOM 0 H SER A 35 29.315 21.124 24.574 1.00 20.00 H new ATOM 0 HA SER A 35 31.324 22.153 26.208 1.00 20.00 H new ATOM 0 HB2 SER A 35 30.151 19.879 26.300 1.00 20.00 H new ATOM 0 HB3 SER A 35 31.006 19.410 24.844 1.00 20.00 H new ATOM 0 HG SER A 35 32.057 18.658 26.760 1.00 20.00 H new ATOM 476 N LYS A 36 32.388 21.891 23.180 1.00 20.00 N ATOM 477 CA LYS A 36 33.525 22.267 22.325 1.00 20.00 C ATOM 478 C LYS A 36 34.086 23.655 22.662 1.00 20.00 C ATOM 479 O LYS A 36 35.243 23.933 22.352 1.00 20.00 O ATOM 480 CB LYS A 36 33.118 22.255 20.843 1.00 20.00 C ATOM 481 CG LYS A 36 32.895 20.833 20.316 1.00 20.00 C ATOM 482 CD LYS A 36 32.730 20.791 18.788 1.00 20.00 C ATOM 483 CE LYS A 36 31.529 21.587 18.257 1.00 20.00 C ATOM 484 NZ LYS A 36 30.240 21.000 18.669 1.00 20.00 N ATOM 0 H LYS A 36 31.514 21.775 22.667 1.00 20.00 H new ATOM 0 HA LYS A 36 34.302 21.526 22.514 1.00 20.00 H new ATOM 0 HB2 LYS A 36 32.205 22.836 20.714 1.00 20.00 H new ATOM 0 HB3 LYS A 36 33.893 22.743 20.251 1.00 20.00 H new ATOM 0 HG2 LYS A 36 33.738 20.206 20.605 1.00 20.00 H new ATOM 0 HG3 LYS A 36 32.007 20.410 20.786 1.00 20.00 H new ATOM 0 HD2 LYS A 36 33.639 21.177 18.326 1.00 20.00 H new ATOM 0 HD3 LYS A 36 32.629 19.752 18.474 1.00 20.00 H new ATOM 0 HE2 LYS A 36 31.589 22.614 18.617 1.00 20.00 H new ATOM 0 HE3 LYS A 36 31.576 21.627 17.169 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 29.460 21.572 18.287 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 30.168 20.029 18.304 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 30.181 20.985 19.707 1.00 20.00 H new ATOM 498 N LEU A 37 33.268 24.502 23.298 1.00 20.00 N ATOM 499 CA LEU A 37 33.557 25.875 23.672 1.00 20.00 C ATOM 500 C LEU A 37 33.515 25.998 25.197 1.00 20.00 C ATOM 501 O LEU A 37 34.566 26.124 25.825 1.00 20.00 O ATOM 502 CB LEU A 37 32.547 26.813 22.985 1.00 20.00 C ATOM 503 CG LEU A 37 32.623 26.835 21.443 1.00 20.00 C ATOM 504 CD1 LEU A 37 31.443 27.641 20.884 1.00 20.00 C ATOM 505 CD2 LEU A 37 33.938 27.443 20.936 1.00 20.00 C ATOM 0 H LEU A 37 32.329 24.220 23.579 1.00 20.00 H new ATOM 0 HA LEU A 37 34.554 26.165 23.341 1.00 20.00 H new ATOM 0 HB2 LEU A 37 31.540 26.517 23.280 1.00 20.00 H new ATOM 0 HB3 LEU A 37 32.704 27.826 23.356 1.00 20.00 H new ATOM 0 HG LEU A 37 32.579 25.802 21.097 1.00 20.00 H new ATOM 0 HD11 LEU A 37 31.496 27.657 19.795 1.00 20.00 H new ATOM 0 HD12 LEU A 37 30.506 27.178 21.195 1.00 20.00 H new ATOM 0 HD13 LEU A 37 31.487 28.662 21.264 1.00 20.00 H new ATOM 0 HD21 LEU A 37 33.945 27.437 19.846 1.00 20.00 H new ATOM 0 HD22 LEU A 37 34.026 28.469 21.294 1.00 20.00 H new ATOM 0 HD23 LEU A 37 34.778 26.856 21.308 1.00 20.00 H new ATOM 517 N THR A 38 32.313 25.944 25.788 1.00 20.00 N ATOM 518 CA THR A 38 32.060 26.015 27.220 1.00 20.00 C ATOM 519 C THR A 38 32.176 24.613 27.836 1.00 20.00 C ATOM 520 O THR A 38 31.196 24.020 28.285 1.00 20.00 O ATOM 521 CB THR A 38 30.701 26.698 27.474 1.00 20.00 C ATOM 522 OG1 THR A 38 29.645 26.074 26.769 1.00 20.00 O ATOM 523 CG2 THR A 38 30.741 28.178 27.072 1.00 20.00 C ATOM 0 H THR A 38 31.454 25.845 25.247 1.00 20.00 H new ATOM 0 HA THR A 38 32.810 26.631 27.716 1.00 20.00 H new ATOM 0 HB THR A 38 30.515 26.605 28.544 1.00 20.00 H new ATOM 0 HG1 THR A 38 29.664 25.109 26.938 1.00 20.00 H new ATOM 0 HG21 THR A 38 29.769 28.633 27.262 1.00 20.00 H new ATOM 0 HG22 THR A 38 31.504 28.693 27.656 1.00 20.00 H new ATOM 0 HG23 THR A 38 30.979 28.261 26.011 1.00 20.00 H new ATOM 531 N GLY A 39 33.408 24.088 27.850 1.00 20.00 N ATOM 532 CA GLY A 39 33.763 22.806 28.444 1.00 20.00 C ATOM 533 C GLY A 39 35.275 22.689 28.590 1.00 20.00 C ATOM 534 O GLY A 39 35.796 23.225 29.593 1.00 20.00 O ATOM 0 H GLY A 39 34.207 24.565 27.432 1.00 20.00 H new ATOM 0 HA2 GLY A 39 33.288 22.706 29.420 1.00 20.00 H new ATOM 0 HA3 GLY A 39 33.387 21.993 27.822 1.00 20.00 H new TER 538 GLY A 39