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= 0.662 K(o=0.66,f=-3.5!) 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= -0.233 K(o=-0.23,f=-2.1!) USER MOD Single : A 14 SER OG : rot 68:sc= 0.759 USER MOD Single : A 18 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.7) USER MOD Single : A 23 SER OG : rot -40:sc= 0.0942 USER MOD Single : A 24 TYR OH : rot 21:sc= 0.392 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 78:sc= 0.544 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 15.924 25.221 33.325 1.00 20.00 N ATOM 2 CA ASN A 1 16.173 24.448 32.090 1.00 20.00 C ATOM 3 C ASN A 1 16.793 23.098 32.432 1.00 20.00 C ATOM 4 O ASN A 1 17.849 23.042 33.065 1.00 20.00 O ATOM 5 CB ASN A 1 17.076 25.227 31.128 1.00 20.00 C ATOM 6 CG ASN A 1 16.956 24.743 29.686 1.00 20.00 C ATOM 7 OD1 ASN A 1 17.102 23.562 29.393 1.00 20.00 O ATOM 8 ND2 ASN A 1 16.712 25.676 28.774 1.00 20.00 N ATOM 0 H1 ASN A 1 15.501 26.139 33.081 1.00 20.00 H new ATOM 0 H2 ASN A 1 15.272 24.693 33.940 1.00 20.00 H new ATOM 0 H3 ASN A 1 16.823 25.376 33.825 1.00 20.00 H new ATOM 0 HA ASN A 1 15.218 24.280 31.592 1.00 20.00 H new ATOM 0 HB2 ASN A 1 16.821 26.286 31.174 1.00 20.00 H new ATOM 0 HB3 ASN A 1 18.112 25.134 31.453 1.00 20.00 H new ATOM 0 HD21 ASN A 1 16.640 25.420 27.789 1.00 20.00 H new ATOM 0 HD22 ASN A 1 16.596 26.649 29.058 1.00 20.00 H new ATOM 17 N GLU A 2 16.131 22.017 32.007 1.00 20.00 N ATOM 18 CA GLU A 2 16.563 20.648 32.273 1.00 20.00 C ATOM 19 C GLU A 2 17.876 20.322 31.540 1.00 20.00 C ATOM 20 O GLU A 2 18.719 19.634 32.109 1.00 20.00 O ATOM 21 CB GLU A 2 15.420 19.689 31.886 1.00 20.00 C ATOM 22 CG GLU A 2 15.315 18.440 32.770 1.00 20.00 C ATOM 23 CD GLU A 2 16.416 17.414 32.510 1.00 20.00 C ATOM 24 OE1 GLU A 2 16.476 16.912 31.357 1.00 20.00 O ATOM 25 OE2 GLU A 2 17.171 17.125 33.456 1.00 20.00 O ATOM 0 H GLU A 2 15.270 22.073 31.462 1.00 20.00 H new ATOM 0 HA GLU A 2 16.778 20.527 33.335 1.00 20.00 H new ATOM 0 HB2 GLU A 2 14.476 20.232 31.931 1.00 20.00 H new ATOM 0 HB3 GLU A 2 15.559 19.376 30.851 1.00 20.00 H new ATOM 0 HG2 GLU A 2 15.351 18.742 33.817 1.00 20.00 H new ATOM 0 HG3 GLU A 2 14.345 17.970 32.607 1.00 20.00 H new ATOM 32 N CYS A 3 18.078 20.840 30.315 1.00 20.00 N ATOM 33 CA CYS A 3 19.286 20.588 29.526 1.00 20.00 C ATOM 34 C CYS A 3 20.518 21.278 30.130 1.00 20.00 C ATOM 35 O CYS A 3 21.580 20.663 30.217 1.00 20.00 O ATOM 36 CB CYS A 3 19.100 21.041 28.072 1.00 20.00 C ATOM 37 SG CYS A 3 20.217 20.202 26.914 1.00 20.00 S ATOM 0 H CYS A 3 17.403 21.446 29.848 1.00 20.00 H new ATOM 0 HA CYS A 3 19.455 19.511 29.544 1.00 20.00 H new ATOM 0 HB2 CYS A 3 18.069 20.857 27.770 1.00 20.00 H new ATOM 0 HB3 CYS A 3 19.263 22.117 28.010 1.00 20.00 H new ATOM 42 N VAL A 4 20.371 22.545 30.556 1.00 20.00 N ATOM 43 CA VAL A 4 21.446 23.346 31.152 1.00 20.00 C ATOM 44 C VAL A 4 21.860 22.789 32.525 1.00 20.00 C ATOM 45 O VAL A 4 22.998 22.998 32.938 1.00 20.00 O ATOM 46 CB VAL A 4 21.033 24.837 31.245 1.00 20.00 C ATOM 47 CG1 VAL A 4 22.151 25.739 31.794 1.00 20.00 C ATOM 48 CG2 VAL A 4 20.616 25.395 29.870 1.00 20.00 C ATOM 0 H VAL A 4 19.485 23.046 30.493 1.00 20.00 H new ATOM 0 HA VAL A 4 22.317 23.282 30.500 1.00 20.00 H new ATOM 0 HB VAL A 4 20.192 24.853 31.938 1.00 20.00 H new ATOM 0 HG11 VAL A 4 21.800 26.770 31.835 1.00 20.00 H new ATOM 0 HG12 VAL A 4 22.425 25.409 32.796 1.00 20.00 H new ATOM 0 HG13 VAL A 4 23.022 25.678 31.141 1.00 20.00 H new ATOM 0 HG21 VAL A 4 20.333 26.443 29.973 1.00 20.00 H new ATOM 0 HG22 VAL A 4 21.451 25.312 29.175 1.00 20.00 H new ATOM 0 HG23 VAL A 4 19.768 24.826 29.488 1.00 20.00 H new ATOM 58 N SER A 5 20.978 22.037 33.201 1.00 20.00 N ATOM 59 CA SER A 5 21.290 21.338 34.445 1.00 20.00 C ATOM 60 C SER A 5 22.450 20.336 34.302 1.00 20.00 C ATOM 61 O SER A 5 23.241 20.201 35.233 1.00 20.00 O ATOM 62 CB SER A 5 20.028 20.643 34.970 1.00 20.00 C ATOM 63 OG SER A 5 20.217 20.200 36.298 1.00 20.00 O ATOM 0 H SER A 5 20.016 21.899 32.890 1.00 20.00 H new ATOM 0 HA SER A 5 21.628 22.085 35.164 1.00 20.00 H new ATOM 0 HB2 SER A 5 19.184 21.331 34.928 1.00 20.00 H new ATOM 0 HB3 SER A 5 19.781 19.796 34.330 1.00 20.00 H new ATOM 0 HG SER A 5 19.401 19.761 36.616 1.00 20.00 H new ATOM 69 N LYS A 6 22.593 19.682 33.137 1.00 20.00 N ATOM 70 CA LYS A 6 23.716 18.804 32.783 1.00 20.00 C ATOM 71 C LYS A 6 24.980 19.574 32.346 1.00 20.00 C ATOM 72 O LYS A 6 26.044 18.962 32.237 1.00 20.00 O ATOM 73 CB LYS A 6 23.276 17.848 31.655 1.00 20.00 C ATOM 74 CG LYS A 6 22.372 16.697 32.127 1.00 20.00 C ATOM 75 CD LYS A 6 23.112 15.543 32.823 1.00 20.00 C ATOM 76 CE LYS A 6 23.972 14.758 31.824 1.00 20.00 C ATOM 77 NZ LYS A 6 24.533 13.536 32.427 1.00 20.00 N ATOM 0 H LYS A 6 21.903 19.754 32.390 1.00 20.00 H new ATOM 0 HA LYS A 6 23.984 18.249 33.682 1.00 20.00 H new ATOM 0 HB2 LYS A 6 22.749 18.421 30.892 1.00 20.00 H new ATOM 0 HB3 LYS A 6 24.164 17.428 31.182 1.00 20.00 H new ATOM 0 HG2 LYS A 6 21.625 17.097 32.812 1.00 20.00 H new ATOM 0 HG3 LYS A 6 21.834 16.299 31.266 1.00 20.00 H new ATOM 0 HD2 LYS A 6 23.743 15.939 33.619 1.00 20.00 H new ATOM 0 HD3 LYS A 6 22.390 14.874 33.291 1.00 20.00 H new ATOM 0 HE2 LYS A 6 23.369 14.491 30.956 1.00 20.00 H new ATOM 0 HE3 LYS A 6 24.783 15.392 31.466 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 25.108 13.033 31.721 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 25.129 13.792 33.240 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 23.759 12.919 32.746 1.00 20.00 H new ATOM 91 N GLY A 7 24.879 20.890 32.109 1.00 20.00 N ATOM 92 CA GLY A 7 25.975 21.789 31.751 1.00 20.00 C ATOM 93 C GLY A 7 25.942 22.278 30.298 1.00 20.00 C ATOM 94 O GLY A 7 26.792 23.085 29.926 1.00 20.00 O ATOM 0 H GLY A 7 23.984 21.376 32.166 1.00 20.00 H new ATOM 0 HA2 GLY A 7 25.951 22.654 32.414 1.00 20.00 H new ATOM 0 HA3 GLY A 7 26.921 21.278 31.929 1.00 20.00 H new ATOM 98 N PHE A 8 24.984 21.815 29.481 1.00 20.00 N ATOM 99 CA PHE A 8 24.784 22.240 28.095 1.00 20.00 C ATOM 100 C PHE A 8 24.202 23.664 28.002 1.00 20.00 C ATOM 101 O PHE A 8 23.981 24.326 29.017 1.00 20.00 O ATOM 102 CB PHE A 8 23.881 21.212 27.398 1.00 20.00 C ATOM 103 CG PHE A 8 24.484 19.822 27.315 1.00 20.00 C ATOM 104 CD1 PHE A 8 23.950 18.766 28.085 1.00 20.00 C ATOM 105 CD2 PHE A 8 25.566 19.573 26.456 1.00 20.00 C ATOM 106 CE1 PHE A 8 24.495 17.479 27.998 1.00 20.00 C ATOM 107 CE2 PHE A 8 26.116 18.277 26.366 1.00 20.00 C ATOM 108 CZ PHE A 8 25.585 17.234 27.133 1.00 20.00 C ATOM 0 H PHE A 8 24.308 21.112 29.780 1.00 20.00 H new ATOM 0 HA PHE A 8 25.750 22.282 27.591 1.00 20.00 H new ATOM 0 HB2 PHE A 8 22.932 21.155 27.932 1.00 20.00 H new ATOM 0 HB3 PHE A 8 23.659 21.562 26.390 1.00 20.00 H new ATOM 0 HD1 PHE A 8 23.116 18.952 28.745 1.00 20.00 H new ATOM 0 HD2 PHE A 8 25.978 20.376 25.863 1.00 20.00 H new ATOM 0 HE1 PHE A 8 24.083 16.676 28.591 1.00 20.00 H new ATOM 0 HE2 PHE A 8 26.948 18.089 25.704 1.00 20.00 H new ATOM 0 HZ PHE A 8 26.008 16.243 27.064 1.00 20.00 H new ATOM 118 N GLY A 9 23.961 24.133 26.771 1.00 20.00 N ATOM 119 CA GLY A 9 23.309 25.405 26.475 1.00 20.00 C ATOM 120 C GLY A 9 22.179 25.224 25.460 1.00 20.00 C ATOM 121 O GLY A 9 22.037 24.170 24.842 1.00 20.00 O ATOM 0 H GLY A 9 24.224 23.618 25.931 1.00 20.00 H new ATOM 0 HA2 GLY A 9 22.911 25.835 27.394 1.00 20.00 H new ATOM 0 HA3 GLY A 9 24.042 26.111 26.085 1.00 20.00 H new ATOM 125 N CYS A 10 21.366 26.272 25.295 1.00 20.00 N ATOM 126 CA CYS A 10 20.034 26.171 24.703 1.00 20.00 C ATOM 127 C CYS A 10 19.882 27.161 23.537 1.00 20.00 C ATOM 128 O CYS A 10 19.136 28.141 23.619 1.00 20.00 O ATOM 129 CB CYS A 10 19.009 26.375 25.826 1.00 20.00 C ATOM 130 SG CYS A 10 17.347 25.773 25.456 1.00 20.00 S ATOM 0 H CYS A 10 21.619 27.221 25.572 1.00 20.00 H new ATOM 0 HA CYS A 10 19.866 25.188 24.263 1.00 20.00 H new ATOM 0 HB2 CYS A 10 19.370 25.873 26.724 1.00 20.00 H new ATOM 0 HB3 CYS A 10 18.951 27.439 26.057 1.00 20.00 H new ATOM 135 N LEU A 11 20.611 26.899 22.442 1.00 20.00 N ATOM 136 CA LEU A 11 20.564 27.718 21.233 1.00 20.00 C ATOM 137 C LEU A 11 19.250 27.517 20.454 1.00 20.00 C ATOM 138 O LEU A 11 18.667 26.433 20.505 1.00 20.00 O ATOM 139 CB LEU A 11 21.749 27.383 20.309 1.00 20.00 C ATOM 140 CG LEU A 11 23.077 28.038 20.726 1.00 20.00 C ATOM 141 CD1 LEU A 11 24.261 27.405 19.984 1.00 20.00 C ATOM 142 CD2 LEU A 11 23.105 29.569 20.613 1.00 20.00 C ATOM 0 H LEU A 11 21.251 26.108 22.375 1.00 20.00 H new ATOM 0 HA LEU A 11 20.622 28.759 21.552 1.00 20.00 H new ATOM 0 HB2 LEU A 11 21.882 26.301 20.285 1.00 20.00 H new ATOM 0 HB3 LEU A 11 21.504 27.697 19.294 1.00 20.00 H new ATOM 0 HG LEU A 11 23.171 27.834 21.793 1.00 20.00 H new ATOM 0 HD11 LEU A 11 25.187 27.887 20.298 1.00 20.00 H new ATOM 0 HD12 LEU A 11 24.309 26.341 20.216 1.00 20.00 H new ATOM 0 HD13 LEU A 11 24.130 27.536 18.910 1.00 20.00 H new ATOM 0 HD21 LEU A 11 24.080 29.939 20.928 1.00 20.00 H new ATOM 0 HD22 LEU A 11 22.923 29.861 19.579 1.00 20.00 H new ATOM 0 HD23 LEU A 11 22.331 29.995 21.252 1.00 20.00 H new ATOM 154 N PRO A 12 18.819 28.531 19.676 1.00 20.00 N ATOM 155 CA PRO A 12 17.677 28.455 18.765 1.00 20.00 C ATOM 156 C PRO A 12 17.981 27.584 17.534 1.00 20.00 C ATOM 157 O PRO A 12 19.118 27.158 17.335 1.00 20.00 O ATOM 158 CB PRO A 12 17.398 29.915 18.381 1.00 20.00 C ATOM 159 CG PRO A 12 18.773 30.575 18.455 1.00 20.00 C ATOM 160 CD PRO A 12 19.433 29.848 19.621 1.00 20.00 C ATOM 0 HA PRO A 12 16.812 27.981 19.229 1.00 20.00 H new ATOM 0 HB2 PRO A 12 16.970 29.992 17.382 1.00 20.00 H new ATOM 0 HB3 PRO A 12 16.692 30.382 19.067 1.00 20.00 H new ATOM 0 HG2 PRO A 12 19.334 30.447 17.529 1.00 20.00 H new ATOM 0 HG3 PRO A 12 18.698 31.647 18.637 1.00 20.00 H new ATOM 0 HD2 PRO A 12 20.510 29.770 19.472 1.00 20.00 H new ATOM 0 HD3 PRO A 12 19.279 30.389 20.555 1.00 20.00 H new ATOM 168 N GLN A 13 16.962 27.345 16.696 1.00 20.00 N ATOM 169 CA GLN A 13 17.065 26.567 15.458 1.00 20.00 C ATOM 170 C GLN A 13 18.115 27.134 14.494 1.00 20.00 C ATOM 171 O GLN A 13 18.835 26.360 13.867 1.00 20.00 O ATOM 172 CB GLN A 13 15.692 26.533 14.759 1.00 20.00 C ATOM 173 CG GLN A 13 14.623 25.687 15.481 1.00 20.00 C ATOM 174 CD GLN A 13 14.719 24.186 15.179 1.00 20.00 C ATOM 175 OE1 GLN A 13 15.805 23.628 15.046 1.00 20.00 O ATOM 176 NE2 GLN A 13 13.575 23.517 15.072 1.00 20.00 N ATOM 0 H GLN A 13 16.020 27.698 16.867 1.00 20.00 H new ATOM 0 HA GLN A 13 17.382 25.560 15.730 1.00 20.00 H new ATOM 0 HB2 GLN A 13 15.323 27.554 14.662 1.00 20.00 H new ATOM 0 HB3 GLN A 13 15.823 26.144 13.749 1.00 20.00 H new ATOM 0 HG2 GLN A 13 14.717 25.839 16.556 1.00 20.00 H new ATOM 0 HG3 GLN A 13 13.634 26.044 15.194 1.00 20.00 H new ATOM 0 HE21 GLN A 13 12.686 24.005 15.187 1.00 20.00 H new ATOM 0 HE22 GLN A 13 13.586 22.516 14.875 1.00 20.00 H new ATOM 185 N SER A 14 18.222 28.468 14.403 1.00 20.00 N ATOM 186 CA SER A 14 19.162 29.180 13.539 1.00 20.00 C ATOM 187 C SER A 14 20.636 29.008 13.947 1.00 20.00 C ATOM 188 O SER A 14 21.517 29.269 13.127 1.00 20.00 O ATOM 189 CB SER A 14 18.800 30.672 13.518 1.00 20.00 C ATOM 190 OG SER A 14 18.872 31.254 14.806 1.00 20.00 O ATOM 0 H SER A 14 17.634 29.098 14.949 1.00 20.00 H new ATOM 0 HA SER A 14 19.069 28.740 12.546 1.00 20.00 H new ATOM 0 HB2 SER A 14 19.475 31.199 12.844 1.00 20.00 H new ATOM 0 HB3 SER A 14 17.792 30.795 13.121 1.00 20.00 H new ATOM 0 HG SER A 14 19.806 31.276 15.103 1.00 20.00 H new ATOM 196 N ASP A 15 20.911 28.564 15.183 1.00 20.00 N ATOM 197 CA ASP A 15 22.244 28.447 15.780 1.00 20.00 C ATOM 198 C ASP A 15 22.587 26.991 16.127 1.00 20.00 C ATOM 199 O ASP A 15 23.753 26.696 16.390 1.00 20.00 O ATOM 200 CB ASP A 15 22.313 29.324 17.041 1.00 20.00 C ATOM 201 CG ASP A 15 22.350 30.831 16.770 1.00 20.00 C ATOM 202 OD1 ASP A 15 23.224 31.491 17.371 1.00 20.00 O ATOM 203 OD2 ASP A 15 21.513 31.321 15.978 1.00 20.00 O ATOM 0 H ASP A 15 20.174 28.264 15.820 1.00 20.00 H new ATOM 0 HA ASP A 15 22.978 28.788 15.049 1.00 20.00 H new ATOM 0 HB2 ASP A 15 21.450 29.102 17.669 1.00 20.00 H new ATOM 0 HB3 ASP A 15 23.201 29.049 17.610 1.00 20.00 H new ATOM 208 N CYS A 16 21.600 26.084 16.096 1.00 20.00 N ATOM 209 CA CYS A 16 21.732 24.686 16.462 1.00 20.00 C ATOM 210 C CYS A 16 21.304 23.813 15.270 1.00 20.00 C ATOM 211 O CYS A 16 20.124 23.469 15.170 1.00 20.00 O ATOM 212 CB CYS A 16 20.920 24.407 17.736 1.00 20.00 C ATOM 213 SG CYS A 16 21.243 22.771 18.448 1.00 20.00 S ATOM 0 H CYS A 16 20.654 26.325 15.802 1.00 20.00 H new ATOM 0 HA CYS A 16 22.769 24.439 16.690 1.00 20.00 H new ATOM 0 HB2 CYS A 16 21.149 25.171 18.479 1.00 20.00 H new ATOM 0 HB3 CYS A 16 19.858 24.493 17.508 1.00 20.00 H new ATOM 218 N PRO A 17 22.231 23.452 14.359 1.00 20.00 N ATOM 219 CA PRO A 17 21.952 22.540 13.256 1.00 20.00 C ATOM 220 C PRO A 17 21.739 21.110 13.773 1.00 20.00 C ATOM 221 O PRO A 17 22.062 20.804 14.920 1.00 20.00 O ATOM 222 CB PRO A 17 23.172 22.636 12.336 1.00 20.00 C ATOM 223 CG PRO A 17 24.303 22.921 13.316 1.00 20.00 C ATOM 224 CD PRO A 17 23.634 23.836 14.341 1.00 20.00 C ATOM 0 HA PRO A 17 21.037 22.802 12.726 1.00 20.00 H new ATOM 0 HB2 PRO A 17 23.337 21.711 11.784 1.00 20.00 H new ATOM 0 HB3 PRO A 17 23.063 23.432 11.599 1.00 20.00 H new ATOM 0 HG2 PRO A 17 24.682 22.008 13.774 1.00 20.00 H new ATOM 0 HG3 PRO A 17 25.148 23.407 12.829 1.00 20.00 H new ATOM 0 HD2 PRO A 17 24.085 23.715 15.326 1.00 20.00 H new ATOM 0 HD3 PRO A 17 23.749 24.884 14.064 1.00 20.00 H new ATOM 232 N GLN A 18 21.211 20.233 12.909 1.00 20.00 N ATOM 233 CA GLN A 18 20.806 18.873 13.251 1.00 20.00 C ATOM 234 C GLN A 18 21.963 18.026 13.809 1.00 20.00 C ATOM 235 O GLN A 18 21.726 17.194 14.684 1.00 20.00 O ATOM 236 CB GLN A 18 20.187 18.169 12.034 1.00 20.00 C ATOM 237 CG GLN A 18 19.000 18.914 11.409 1.00 20.00 C ATOM 238 CD GLN A 18 19.418 19.986 10.398 1.00 20.00 C ATOM 239 OE1 GLN A 18 19.349 21.179 10.682 1.00 20.00 O ATOM 240 NE2 GLN A 18 19.874 19.570 9.214 1.00 20.00 N ATOM 0 H GLN A 18 21.052 20.461 11.928 1.00 20.00 H new ATOM 0 HA GLN A 18 20.061 18.965 14.041 1.00 20.00 H new ATOM 0 HB2 GLN A 18 20.958 18.036 11.275 1.00 20.00 H new ATOM 0 HB3 GLN A 18 19.859 17.173 12.333 1.00 20.00 H new ATOM 0 HG2 GLN A 18 18.348 18.194 10.915 1.00 20.00 H new ATOM 0 HG3 GLN A 18 18.416 19.381 12.202 1.00 20.00 H new ATOM 0 HE21 GLN A 18 19.920 18.572 9.007 1.00 20.00 H new ATOM 0 HE22 GLN A 18 20.177 20.250 8.517 1.00 20.00 H new ATOM 249 N GLU A 19 23.201 18.257 13.340 1.00 20.00 N ATOM 250 CA GLU A 19 24.415 17.577 13.796 1.00 20.00 C ATOM 251 C GLU A 19 24.758 17.907 15.254 1.00 20.00 C ATOM 252 O GLU A 19 25.305 17.060 15.956 1.00 20.00 O ATOM 253 CB GLU A 19 25.609 17.997 12.924 1.00 20.00 C ATOM 254 CG GLU A 19 25.457 17.640 11.440 1.00 20.00 C ATOM 255 CD GLU A 19 26.756 17.916 10.677 1.00 20.00 C ATOM 256 OE1 GLU A 19 27.153 19.100 10.618 1.00 20.00 O ATOM 257 OE2 GLU A 19 27.344 16.937 10.163 1.00 20.00 O ATOM 0 H GLU A 19 23.385 18.945 12.610 1.00 20.00 H new ATOM 0 HA GLU A 19 24.223 16.507 13.715 1.00 20.00 H new ATOM 0 HB2 GLU A 19 25.750 19.074 13.015 1.00 20.00 H new ATOM 0 HB3 GLU A 19 26.512 17.523 13.310 1.00 20.00 H new ATOM 0 HG2 GLU A 19 25.188 16.588 11.340 1.00 20.00 H new ATOM 0 HG3 GLU A 19 24.644 18.220 11.004 1.00 20.00 H new ATOM 264 N ALA A 20 24.449 19.133 15.697 1.00 20.00 N ATOM 265 CA ALA A 20 24.801 19.671 17.005 1.00 20.00 C ATOM 266 C ALA A 20 23.728 19.404 18.079 1.00 20.00 C ATOM 267 O ALA A 20 23.999 19.608 19.264 1.00 20.00 O ATOM 268 CB ALA A 20 25.063 21.167 16.833 1.00 20.00 C ATOM 0 H ALA A 20 23.927 19.798 15.127 1.00 20.00 H new ATOM 0 HA ALA A 20 25.693 19.163 17.370 1.00 20.00 H new ATOM 0 HB1 ALA A 20 25.330 21.603 17.796 1.00 20.00 H new ATOM 0 HB2 ALA A 20 25.882 21.314 16.129 1.00 20.00 H new ATOM 0 HB3 ALA A 20 24.165 21.652 16.452 1.00 20.00 H new ATOM 274 N ARG A 21 22.536 18.917 17.688 1.00 20.00 N ATOM 275 CA ARG A 21 21.493 18.460 18.613 1.00 20.00 C ATOM 276 C ARG A 21 21.978 17.231 19.385 1.00 20.00 C ATOM 277 O ARG A 21 22.659 16.371 18.825 1.00 20.00 O ATOM 278 CB ARG A 21 20.211 18.098 17.850 1.00 20.00 C ATOM 279 CG ARG A 21 19.628 19.272 17.044 1.00 20.00 C ATOM 280 CD ARG A 21 18.276 18.938 16.403 1.00 20.00 C ATOM 281 NE ARG A 21 18.329 17.761 15.520 1.00 20.00 N ATOM 282 CZ ARG A 21 17.327 17.327 14.741 1.00 20.00 C ATOM 283 NH1 ARG A 21 16.141 17.936 14.716 1.00 20.00 N ATOM 284 NH2 ARG A 21 17.506 16.258 13.967 1.00 20.00 N ATOM 0 H ARG A 21 22.271 18.830 16.707 1.00 20.00 H new ATOM 0 HA ARG A 21 21.278 19.272 19.308 1.00 20.00 H new ATOM 0 HB2 ARG A 21 20.422 17.271 17.172 1.00 20.00 H new ATOM 0 HB3 ARG A 21 19.462 17.746 18.559 1.00 20.00 H new ATOM 0 HG2 ARG A 21 19.511 20.135 17.700 1.00 20.00 H new ATOM 0 HG3 ARG A 21 20.334 19.558 16.264 1.00 20.00 H new ATOM 0 HD2 ARG A 21 17.542 18.762 17.189 1.00 20.00 H new ATOM 0 HD3 ARG A 21 17.930 19.799 15.831 1.00 20.00 H new ATOM 0 HE ARG A 21 19.200 17.231 15.499 1.00 20.00 H new ATOM 0 HH11 ARG A 21 15.976 18.756 15.300 1.00 20.00 H new ATOM 0 HH12 ARG A 21 15.399 17.582 14.113 1.00 20.00 H new ATOM 0 HH21 ARG A 21 18.403 15.772 13.968 1.00 20.00 H new ATOM 0 HH22 ARG A 21 16.746 15.925 13.373 1.00 20.00 H new ATOM 298 N LEU A 22 21.589 17.127 20.661 1.00 20.00 N ATOM 299 CA LEU A 22 21.895 15.974 21.503 1.00 20.00 C ATOM 300 C LEU A 22 20.954 14.800 21.199 1.00 20.00 C ATOM 301 O LEU A 22 20.032 14.919 20.389 1.00 20.00 O ATOM 302 CB LEU A 22 21.833 16.429 22.972 1.00 20.00 C ATOM 303 CG LEU A 22 23.085 17.252 23.332 1.00 20.00 C ATOM 304 CD1 LEU A 22 22.822 18.169 24.523 1.00 20.00 C ATOM 305 CD2 LEU A 22 24.273 16.336 23.660 1.00 20.00 C ATOM 0 H LEU A 22 21.049 17.849 21.138 1.00 20.00 H new ATOM 0 HA LEU A 22 22.898 15.602 21.294 1.00 20.00 H new ATOM 0 HB2 LEU A 22 20.937 17.027 23.137 1.00 20.00 H new ATOM 0 HB3 LEU A 22 21.761 15.560 23.626 1.00 20.00 H new ATOM 0 HG LEU A 22 23.327 17.859 22.460 1.00 20.00 H new ATOM 0 HD11 LEU A 22 23.724 18.736 24.752 1.00 20.00 H new ATOM 0 HD12 LEU A 22 22.013 18.858 24.280 1.00 20.00 H new ATOM 0 HD13 LEU A 22 22.541 17.569 25.389 1.00 20.00 H new ATOM 0 HD21 LEU A 22 25.143 16.944 23.910 1.00 20.00 H new ATOM 0 HD22 LEU A 22 24.019 15.700 24.508 1.00 20.00 H new ATOM 0 HD23 LEU A 22 24.502 15.714 22.795 1.00 20.00 H new ATOM 317 N SER A 23 21.199 13.657 21.854 1.00 20.00 N ATOM 318 CA SER A 23 20.350 12.466 21.741 1.00 20.00 C ATOM 319 C SER A 23 19.010 12.628 22.490 1.00 20.00 C ATOM 320 O SER A 23 18.122 11.788 22.345 1.00 20.00 O ATOM 321 CB SER A 23 21.137 11.245 22.236 1.00 20.00 C ATOM 322 OG SER A 23 20.505 10.047 21.832 1.00 20.00 O ATOM 0 H SER A 23 21.995 13.533 22.479 1.00 20.00 H new ATOM 0 HA SER A 23 20.085 12.322 20.693 1.00 20.00 H new ATOM 0 HB2 SER A 23 22.153 11.277 21.842 1.00 20.00 H new ATOM 0 HB3 SER A 23 21.215 11.272 23.323 1.00 20.00 H new ATOM 0 HG SER A 23 19.534 10.141 21.927 1.00 20.00 H new ATOM 328 N TYR A 24 18.857 13.721 23.255 1.00 20.00 N ATOM 329 CA TYR A 24 17.669 14.098 24.016 1.00 20.00 C ATOM 330 C TYR A 24 17.382 15.602 23.863 1.00 20.00 C ATOM 331 O TYR A 24 18.185 16.342 23.294 1.00 20.00 O ATOM 332 CB TYR A 24 17.865 13.708 25.492 1.00 20.00 C ATOM 333 CG TYR A 24 18.715 14.676 26.303 1.00 20.00 C ATOM 334 CD1 TYR A 24 20.111 14.763 26.089 1.00 20.00 C ATOM 335 CD2 TYR A 24 18.102 15.514 27.248 1.00 20.00 C ATOM 336 CE1 TYR A 24 20.887 15.648 26.851 1.00 20.00 C ATOM 337 CE2 TYR A 24 18.872 16.418 28.001 1.00 20.00 C ATOM 338 CZ TYR A 24 20.267 16.474 27.822 1.00 20.00 C ATOM 339 OH TYR A 24 21.024 17.298 28.599 1.00 20.00 O ATOM 0 H TYR A 24 19.609 14.402 23.361 1.00 20.00 H new ATOM 0 HA TYR A 24 16.803 13.563 23.627 1.00 20.00 H new ATOM 0 HB2 TYR A 24 16.886 13.624 25.964 1.00 20.00 H new ATOM 0 HB3 TYR A 24 18.325 12.721 25.534 1.00 20.00 H new ATOM 0 HD1 TYR A 24 20.580 14.146 25.337 1.00 20.00 H new ATOM 0 HD2 TYR A 24 17.034 15.464 27.397 1.00 20.00 H new ATOM 0 HE1 TYR A 24 21.955 15.700 26.698 1.00 20.00 H new ATOM 0 HE2 TYR A 24 18.393 17.070 28.717 1.00 20.00 H new ATOM 0 HH TYR A 24 21.887 17.457 28.163 1.00 20.00 H new ATOM 349 N GLY A 25 16.241 16.056 24.394 1.00 20.00 N ATOM 350 CA GLY A 25 15.836 17.454 24.394 1.00 20.00 C ATOM 351 C GLY A 25 16.390 18.197 25.598 1.00 20.00 C ATOM 352 O GLY A 25 17.509 18.688 25.553 1.00 20.00 O ATOM 0 H GLY A 25 15.562 15.442 24.845 1.00 20.00 H new ATOM 0 HA2 GLY A 25 16.183 17.934 23.479 1.00 20.00 H new ATOM 0 HA3 GLY A 25 14.748 17.518 24.395 1.00 20.00 H new ATOM 356 N GLY A 26 15.591 18.301 26.661 1.00 20.00 N ATOM 357 CA GLY A 26 15.896 18.989 27.918 1.00 20.00 C ATOM 358 C GLY A 26 15.510 20.469 27.914 1.00 20.00 C ATOM 359 O GLY A 26 15.137 20.993 28.959 1.00 20.00 O ATOM 0 H GLY A 26 14.660 17.884 26.669 1.00 20.00 H new ATOM 0 HA2 GLY A 26 15.374 18.488 28.733 1.00 20.00 H new ATOM 0 HA3 GLY A 26 16.963 18.901 28.121 1.00 20.00 H new ATOM 363 N CYS A 27 15.584 21.138 26.753 1.00 20.00 N ATOM 364 CA CYS A 27 15.038 22.481 26.550 1.00 20.00 C ATOM 365 C CYS A 27 13.533 22.412 26.247 1.00 20.00 C ATOM 366 O CYS A 27 12.931 21.340 26.250 1.00 20.00 O ATOM 367 CB CYS A 27 15.815 23.167 25.424 1.00 20.00 C ATOM 368 SG CYS A 27 17.447 23.789 25.911 1.00 20.00 S ATOM 0 H CYS A 27 16.031 20.753 25.921 1.00 20.00 H new ATOM 0 HA CYS A 27 15.151 23.070 27.460 1.00 20.00 H new ATOM 0 HB2 CYS A 27 15.939 22.462 24.602 1.00 20.00 H new ATOM 0 HB3 CYS A 27 15.221 23.998 25.044 1.00 20.00 H new ATOM 373 N SER A 28 12.918 23.574 25.999 1.00 20.00 N ATOM 374 CA SER A 28 11.505 23.713 25.663 1.00 20.00 C ATOM 375 C SER A 28 11.257 23.267 24.219 1.00 20.00 C ATOM 376 O SER A 28 10.183 22.745 23.931 1.00 20.00 O ATOM 377 CB SER A 28 11.054 25.170 25.819 1.00 20.00 C ATOM 378 OG SER A 28 11.186 25.598 27.156 1.00 20.00 O ATOM 0 H SER A 28 13.409 24.468 26.029 1.00 20.00 H new ATOM 0 HA SER A 28 10.933 23.084 26.345 1.00 20.00 H new ATOM 0 HB2 SER A 28 11.649 25.811 25.168 1.00 20.00 H new ATOM 0 HB3 SER A 28 10.016 25.269 25.502 1.00 20.00 H new ATOM 0 HG SER A 28 10.894 26.531 27.231 1.00 20.00 H new ATOM 384 N THR A 29 12.247 23.464 23.329 1.00 20.00 N ATOM 385 CA THR A 29 12.169 23.182 21.903 1.00 20.00 C ATOM 386 C THR A 29 13.434 22.484 21.404 1.00 20.00 C ATOM 387 O THR A 29 13.330 21.427 20.784 1.00 20.00 O ATOM 388 CB THR A 29 11.894 24.469 21.092 1.00 20.00 C ATOM 389 OG1 THR A 29 12.892 25.454 21.284 1.00 20.00 O ATOM 390 CG2 THR A 29 10.543 25.101 21.448 1.00 20.00 C ATOM 0 H THR A 29 13.155 23.839 23.605 1.00 20.00 H new ATOM 0 HA THR A 29 11.330 22.503 21.750 1.00 20.00 H new ATOM 0 HB THR A 29 11.892 24.147 20.051 1.00 20.00 H new ATOM 0 HG1 THR A 29 12.676 26.247 20.751 1.00 20.00 H new ATOM 0 HG21 THR A 29 10.395 26.002 20.853 1.00 20.00 H new ATOM 0 HG22 THR A 29 9.743 24.391 21.238 1.00 20.00 H new ATOM 0 HG23 THR A 29 10.530 25.359 22.507 1.00 20.00 H new ATOM 398 N VAL A 30 14.611 23.082 21.635 1.00 20.00 N ATOM 399 CA VAL A 30 15.889 22.692 21.058 1.00 20.00 C ATOM 400 C VAL A 30 16.991 22.934 22.090 1.00 20.00 C ATOM 401 O VAL A 30 17.044 23.999 22.706 1.00 20.00 O ATOM 402 CB VAL A 30 16.150 23.513 19.789 1.00 20.00 C ATOM 403 CG1 VAL A 30 17.576 23.325 19.263 1.00 20.00 C ATOM 404 CG2 VAL A 30 15.162 23.200 18.653 1.00 20.00 C ATOM 0 H VAL A 30 14.693 23.886 22.258 1.00 20.00 H new ATOM 0 HA VAL A 30 15.875 21.636 20.790 1.00 20.00 H new ATOM 0 HB VAL A 30 16.008 24.549 20.096 1.00 20.00 H new ATOM 0 HG11 VAL A 30 17.714 23.925 18.364 1.00 20.00 H new ATOM 0 HG12 VAL A 30 18.289 23.642 20.024 1.00 20.00 H new ATOM 0 HG13 VAL A 30 17.741 22.274 19.026 1.00 20.00 H new ATOM 0 HG21 VAL A 30 15.400 23.813 17.784 1.00 20.00 H new ATOM 0 HG22 VAL A 30 15.238 22.146 18.385 1.00 20.00 H new ATOM 0 HG23 VAL A 30 14.147 23.418 18.984 1.00 20.00 H new ATOM 414 N CYS A 31 17.910 21.971 22.197 1.00 20.00 N ATOM 415 CA CYS A 31 19.163 22.072 22.942 1.00 20.00 C ATOM 416 C CYS A 31 20.344 21.720 22.028 1.00 20.00 C ATOM 417 O CYS A 31 20.188 20.967 21.064 1.00 20.00 O ATOM 418 CB CYS A 31 19.118 21.151 24.172 1.00 20.00 C ATOM 419 SG CYS A 31 20.439 21.503 25.366 1.00 20.00 S ATOM 0 H CYS A 31 17.794 21.063 21.747 1.00 20.00 H new ATOM 0 HA CYS A 31 19.297 23.096 23.290 1.00 20.00 H new ATOM 0 HB2 CYS A 31 18.152 21.258 24.665 1.00 20.00 H new ATOM 0 HB3 CYS A 31 19.196 20.114 23.846 1.00 20.00 H new ATOM 424 N CYS A 32 21.530 22.242 22.367 1.00 20.00 N ATOM 425 CA CYS A 32 22.779 22.005 21.653 1.00 20.00 C ATOM 426 C CYS A 32 23.903 21.631 22.629 1.00 20.00 C ATOM 427 O CYS A 32 23.822 21.894 23.830 1.00 20.00 O ATOM 428 CB CYS A 32 23.139 23.242 20.811 1.00 20.00 C ATOM 429 SG CYS A 32 23.189 22.915 19.034 1.00 20.00 S ATOM 0 H CYS A 32 21.644 22.859 23.171 1.00 20.00 H new ATOM 0 HA CYS A 32 22.651 21.160 20.977 1.00 20.00 H new ATOM 0 HB2 CYS A 32 22.411 24.029 21.007 1.00 20.00 H new ATOM 0 HB3 CYS A 32 24.111 23.619 21.131 1.00 20.00 H new ATOM 434 N ASP A 33 24.964 21.007 22.099 1.00 20.00 N ATOM 435 CA ASP A 33 25.966 20.291 22.892 1.00 20.00 C ATOM 436 C ASP A 33 27.184 21.134 23.317 1.00 20.00 C ATOM 437 O ASP A 33 28.307 20.637 23.406 1.00 20.00 O ATOM 438 CB ASP A 33 26.338 18.978 22.188 1.00 20.00 C ATOM 439 CG ASP A 33 27.325 19.144 21.028 1.00 20.00 C ATOM 440 OD1 ASP A 33 27.068 19.995 20.148 1.00 20.00 O ATOM 441 OD2 ASP A 33 28.334 18.405 21.031 1.00 20.00 O ATOM 0 H ASP A 33 25.150 20.987 21.096 1.00 20.00 H new ATOM 0 HA ASP A 33 25.505 20.052 23.850 1.00 20.00 H new ATOM 0 HB2 ASP A 33 26.768 18.295 22.921 1.00 20.00 H new ATOM 0 HB3 ASP A 33 25.428 18.510 21.812 1.00 20.00 H new ATOM 446 N LEU A 34 26.949 22.417 23.610 1.00 20.00 N ATOM 447 CA LEU A 34 27.985 23.411 23.916 1.00 20.00 C ATOM 448 C LEU A 34 28.509 23.375 25.363 1.00 20.00 C ATOM 449 O LEU A 34 29.176 24.309 25.802 1.00 20.00 O ATOM 450 CB LEU A 34 27.540 24.813 23.484 1.00 20.00 C ATOM 451 CG LEU A 34 26.310 25.398 24.209 1.00 20.00 C ATOM 452 CD1 LEU A 34 26.583 26.846 24.629 1.00 20.00 C ATOM 453 CD2 LEU A 34 25.076 25.362 23.298 1.00 20.00 C ATOM 0 H LEU A 34 26.006 22.805 23.642 1.00 20.00 H new ATOM 0 HA LEU A 34 28.853 23.128 23.321 1.00 20.00 H new ATOM 0 HB2 LEU A 34 28.377 25.496 23.627 1.00 20.00 H new ATOM 0 HB3 LEU A 34 27.327 24.789 22.415 1.00 20.00 H new ATOM 0 HG LEU A 34 26.118 24.790 25.093 1.00 20.00 H new ATOM 0 HD11 LEU A 34 25.708 27.248 25.140 1.00 20.00 H new ATOM 0 HD12 LEU A 34 27.440 26.874 25.302 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.795 27.447 23.745 1.00 20.00 H new ATOM 0 HD21 LEU A 34 24.220 25.779 23.828 1.00 20.00 H new ATOM 0 HD22 LEU A 34 25.269 25.950 22.401 1.00 20.00 H new ATOM 0 HD23 LEU A 34 24.861 24.331 23.017 1.00 20.00 H new ATOM 465 N SER A 35 28.253 22.285 26.091 1.00 20.00 N ATOM 466 CA SER A 35 28.882 21.972 27.374 1.00 20.00 C ATOM 467 C SER A 35 30.413 21.989 27.277 1.00 20.00 C ATOM 468 O SER A 35 31.064 22.513 28.179 1.00 20.00 O ATOM 469 CB SER A 35 28.377 20.604 27.853 1.00 20.00 C ATOM 470 OG SER A 35 29.087 20.135 28.979 1.00 20.00 O ATOM 0 H SER A 35 27.583 21.576 25.794 1.00 20.00 H new ATOM 0 HA SER A 35 28.607 22.739 28.098 1.00 20.00 H new ATOM 0 HB2 SER A 35 27.317 20.676 28.099 1.00 20.00 H new ATOM 0 HB3 SER A 35 28.468 19.881 27.042 1.00 20.00 H new ATOM 0 HG SER A 35 28.731 19.263 29.250 1.00 20.00 H new ATOM 476 N LYS A 36 30.982 21.465 26.180 1.00 20.00 N ATOM 477 CA LYS A 36 32.423 21.436 25.934 1.00 20.00 C ATOM 478 C LYS A 36 33.054 22.827 25.745 1.00 20.00 C ATOM 479 O LYS A 36 34.265 22.959 25.919 1.00 20.00 O ATOM 480 CB LYS A 36 32.726 20.518 24.736 1.00 20.00 C ATOM 481 CG LYS A 36 32.180 21.034 23.388 1.00 20.00 C ATOM 482 CD LYS A 36 32.536 20.109 22.219 1.00 20.00 C ATOM 483 CE LYS A 36 34.049 20.121 21.948 1.00 20.00 C ATOM 484 NZ LYS A 36 34.405 19.278 20.793 1.00 20.00 N ATOM 0 H LYS A 36 30.438 21.043 25.428 1.00 20.00 H new ATOM 0 HA LYS A 36 32.888 21.034 26.834 1.00 20.00 H new ATOM 0 HB2 LYS A 36 33.806 20.392 24.653 1.00 20.00 H new ATOM 0 HB3 LYS A 36 32.304 19.532 24.932 1.00 20.00 H new ATOM 0 HG2 LYS A 36 31.096 21.133 23.452 1.00 20.00 H new ATOM 0 HG3 LYS A 36 32.580 22.029 23.195 1.00 20.00 H new ATOM 0 HD2 LYS A 36 32.211 19.093 22.443 1.00 20.00 H new ATOM 0 HD3 LYS A 36 32.000 20.425 21.324 1.00 20.00 H new ATOM 0 HE2 LYS A 36 34.378 21.144 21.766 1.00 20.00 H new ATOM 0 HE3 LYS A 36 34.579 19.768 22.833 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 35.433 19.312 20.642 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 34.114 18.297 20.977 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 33.919 19.630 19.944 1.00 20.00 H new ATOM 498 N LEU A 37 32.251 23.851 25.408 1.00 20.00 N ATOM 499 CA LEU A 37 32.688 25.239 25.272 1.00 20.00 C ATOM 500 C LEU A 37 32.574 25.966 26.618 1.00 20.00 C ATOM 501 O LEU A 37 33.534 26.609 27.040 1.00 20.00 O ATOM 502 CB LEU A 37 31.858 25.952 24.186 1.00 20.00 C ATOM 503 CG LEU A 37 32.135 25.443 22.754 1.00 20.00 C ATOM 504 CD1 LEU A 37 31.087 26.003 21.784 1.00 20.00 C ATOM 505 CD2 LEU A 37 33.535 25.853 22.268 1.00 20.00 C ATOM 0 H LEU A 37 31.256 23.726 25.219 1.00 20.00 H new ATOM 0 HA LEU A 37 33.734 25.254 24.967 1.00 20.00 H new ATOM 0 HB2 LEU A 37 30.799 25.823 24.409 1.00 20.00 H new ATOM 0 HB3 LEU A 37 32.065 27.021 24.228 1.00 20.00 H new ATOM 0 HG LEU A 37 32.081 24.355 22.778 1.00 20.00 H new ATOM 0 HD11 LEU A 37 31.291 25.638 20.777 1.00 20.00 H new ATOM 0 HD12 LEU A 37 30.094 25.677 22.093 1.00 20.00 H new ATOM 0 HD13 LEU A 37 31.130 27.092 21.791 1.00 20.00 H new ATOM 0 HD21 LEU A 37 33.694 25.477 21.257 1.00 20.00 H new ATOM 0 HD22 LEU A 37 33.616 26.940 22.268 1.00 20.00 H new ATOM 0 HD23 LEU A 37 34.289 25.433 22.934 1.00 20.00 H new ATOM 517 N THR A 38 31.428 25.848 27.302 1.00 20.00 N ATOM 518 CA THR A 38 31.121 26.497 28.567 1.00 20.00 C ATOM 519 C THR A 38 32.009 25.986 29.717 1.00 20.00 C ATOM 520 O THR A 38 32.268 26.731 30.660 1.00 20.00 O ATOM 521 CB THR A 38 29.625 26.291 28.889 1.00 20.00 C ATOM 522 OG1 THR A 38 28.800 26.419 27.741 1.00 20.00 O ATOM 523 CG2 THR A 38 29.152 27.362 29.865 1.00 20.00 C ATOM 0 H THR A 38 30.659 25.268 26.966 1.00 20.00 H new ATOM 0 HA THR A 38 31.333 27.562 28.467 1.00 20.00 H new ATOM 0 HB THR A 38 29.541 25.284 29.299 1.00 20.00 H new ATOM 0 HG1 THR A 38 28.858 25.601 27.204 1.00 20.00 H new ATOM 0 HG21 THR A 38 28.096 27.210 30.088 1.00 20.00 H new ATOM 0 HG22 THR A 38 29.730 27.295 30.787 1.00 20.00 H new ATOM 0 HG23 THR A 38 29.291 28.347 29.420 1.00 20.00 H new ATOM 531 N GLY A 39 32.516 24.747 29.624 1.00 20.00 N ATOM 532 CA GLY A 39 33.473 24.139 30.543 1.00 20.00 C ATOM 533 C GLY A 39 32.926 23.930 31.954 1.00 20.00 C ATOM 534 O GLY A 39 31.721 23.623 32.085 1.00 20.00 O ATOM 0 H GLY A 39 32.253 24.116 28.867 1.00 20.00 H new ATOM 0 HA2 GLY A 39 33.789 23.177 30.140 1.00 20.00 H new ATOM 0 HA3 GLY A 39 34.361 24.769 30.597 1.00 20.00 H new TER 538 GLY A 39