USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=10 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= 0.0304 K(o=0.03,f=-0.96) USER MOD Single : A 1 ASN N :NH3+ -167:sc= 0.118 (180deg=0.0596) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0.152 (180deg=0.135) USER MOD Single : A 13 GLN : amide:sc= -0.0575 K(o=-0.058,f=-3.7!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.31) USER MOD Single : A 23 SER OG : rot -32:sc= 0.0987 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 13.328 18.691 32.562 1.00 20.00 N ATOM 2 CA ASN A 1 14.188 19.056 31.419 1.00 20.00 C ATOM 3 C ASN A 1 15.668 18.826 31.730 1.00 20.00 C ATOM 4 O ASN A 1 16.319 19.649 32.373 1.00 20.00 O ATOM 5 CB ASN A 1 13.922 20.481 30.898 1.00 20.00 C ATOM 6 CG ASN A 1 13.727 21.575 31.955 1.00 20.00 C ATOM 7 OD1 ASN A 1 14.134 21.453 33.107 1.00 20.00 O ATOM 8 ND2 ASN A 1 13.091 22.675 31.558 1.00 20.00 N ATOM 0 H1 ASN A 1 12.337 18.648 32.251 1.00 20.00 H new ATOM 0 H2 ASN A 1 13.616 17.762 32.931 1.00 20.00 H new ATOM 0 H3 ASN A 1 13.424 19.406 33.311 1.00 20.00 H new ATOM 0 HA ASN A 1 13.918 18.384 30.604 1.00 20.00 H new ATOM 0 HB2 ASN A 1 14.756 20.771 30.258 1.00 20.00 H new ATOM 0 HB3 ASN A 1 13.032 20.453 30.269 1.00 20.00 H new ATOM 0 HD21 ASN A 1 12.933 23.438 32.216 1.00 20.00 H new ATOM 0 HD22 ASN A 1 12.762 22.755 30.596 1.00 20.00 H new ATOM 17 N GLU A 2 16.199 17.699 31.240 1.00 20.00 N ATOM 18 CA GLU A 2 17.602 17.321 31.395 1.00 20.00 C ATOM 19 C GLU A 2 18.528 18.265 30.622 1.00 20.00 C ATOM 20 O GLU A 2 19.505 18.745 31.188 1.00 20.00 O ATOM 21 CB GLU A 2 17.784 15.866 30.935 1.00 20.00 C ATOM 22 CG GLU A 2 19.224 15.324 31.005 1.00 20.00 C ATOM 23 CD GLU A 2 19.767 15.156 32.427 1.00 20.00 C ATOM 24 OE1 GLU A 2 19.919 16.178 33.131 1.00 20.00 O ATOM 25 OE2 GLU A 2 20.046 13.994 32.797 1.00 20.00 O ATOM 0 H GLU A 2 15.653 17.015 30.716 1.00 20.00 H new ATOM 0 HA GLU A 2 17.876 17.404 32.447 1.00 20.00 H new ATOM 0 HB2 GLU A 2 17.144 15.228 31.544 1.00 20.00 H new ATOM 0 HB3 GLU A 2 17.432 15.782 29.907 1.00 20.00 H new ATOM 0 HG2 GLU A 2 19.262 14.360 30.498 1.00 20.00 H new ATOM 0 HG3 GLU A 2 19.881 15.999 30.456 1.00 20.00 H new ATOM 32 N CYS A 3 18.226 18.533 29.343 1.00 20.00 N ATOM 33 CA CYS A 3 19.078 19.349 28.463 1.00 20.00 C ATOM 34 C CYS A 3 19.247 20.797 28.962 1.00 20.00 C ATOM 35 O CYS A 3 20.274 21.421 28.692 1.00 20.00 O ATOM 36 CB CYS A 3 18.527 19.321 27.029 1.00 20.00 C ATOM 37 SG CYS A 3 19.790 19.077 25.752 1.00 20.00 S ATOM 0 H CYS A 3 17.381 18.189 28.887 1.00 20.00 H new ATOM 0 HA CYS A 3 20.074 18.907 28.477 1.00 20.00 H new ATOM 0 HB2 CYS A 3 17.789 18.523 26.951 1.00 20.00 H new ATOM 0 HB3 CYS A 3 18.005 20.258 26.834 1.00 20.00 H new ATOM 42 N VAL A 4 18.260 21.305 29.717 1.00 20.00 N ATOM 43 CA VAL A 4 18.273 22.620 30.357 1.00 20.00 C ATOM 44 C VAL A 4 19.022 22.566 31.698 1.00 20.00 C ATOM 45 O VAL A 4 19.793 23.477 31.999 1.00 20.00 O ATOM 46 CB VAL A 4 16.824 23.115 30.551 1.00 20.00 C ATOM 47 CG1 VAL A 4 16.791 24.494 31.229 1.00 20.00 C ATOM 48 CG2 VAL A 4 16.078 23.201 29.206 1.00 20.00 C ATOM 0 H VAL A 4 17.401 20.788 29.902 1.00 20.00 H new ATOM 0 HA VAL A 4 18.801 23.324 29.714 1.00 20.00 H new ATOM 0 HB VAL A 4 16.326 22.388 31.192 1.00 20.00 H new ATOM 0 HG11 VAL A 4 15.756 24.815 31.351 1.00 20.00 H new ATOM 0 HG12 VAL A 4 17.269 24.430 32.206 1.00 20.00 H new ATOM 0 HG13 VAL A 4 17.324 25.216 30.611 1.00 20.00 H new ATOM 0 HG21 VAL A 4 15.060 23.553 29.376 1.00 20.00 H new ATOM 0 HG22 VAL A 4 16.597 23.896 28.546 1.00 20.00 H new ATOM 0 HG23 VAL A 4 16.048 22.215 28.743 1.00 20.00 H new ATOM 58 N SER A 5 18.814 21.499 32.489 1.00 20.00 N ATOM 59 CA SER A 5 19.512 21.249 33.755 1.00 20.00 C ATOM 60 C SER A 5 21.033 21.114 33.558 1.00 20.00 C ATOM 61 O SER A 5 21.808 21.575 34.395 1.00 20.00 O ATOM 62 CB SER A 5 18.930 19.982 34.398 1.00 20.00 C ATOM 63 OG SER A 5 19.487 19.760 35.675 1.00 20.00 O ATOM 0 H SER A 5 18.139 20.771 32.257 1.00 20.00 H new ATOM 0 HA SER A 5 19.359 22.104 34.414 1.00 20.00 H new ATOM 0 HB2 SER A 5 17.847 20.077 34.481 1.00 20.00 H new ATOM 0 HB3 SER A 5 19.126 19.122 33.758 1.00 20.00 H new ATOM 0 HG SER A 5 19.099 18.948 36.064 1.00 20.00 H new ATOM 69 N LYS A 6 21.451 20.527 32.427 1.00 20.00 N ATOM 70 CA LYS A 6 22.834 20.389 31.968 1.00 20.00 C ATOM 71 C LYS A 6 23.472 21.727 31.551 1.00 20.00 C ATOM 72 O LYS A 6 24.694 21.788 31.405 1.00 20.00 O ATOM 73 CB LYS A 6 22.836 19.426 30.772 1.00 20.00 C ATOM 74 CG LYS A 6 22.602 17.954 31.150 1.00 20.00 C ATOM 75 CD LYS A 6 23.900 17.250 31.569 1.00 20.00 C ATOM 76 CE LYS A 6 23.651 15.778 31.904 1.00 20.00 C ATOM 77 NZ LYS A 6 22.918 15.615 33.170 1.00 20.00 N ATOM 0 H LYS A 6 20.789 20.112 31.771 1.00 20.00 H new ATOM 0 HA LYS A 6 23.431 20.010 32.798 1.00 20.00 H new ATOM 0 HB2 LYS A 6 22.064 19.736 30.068 1.00 20.00 H new ATOM 0 HB3 LYS A 6 23.791 19.509 30.254 1.00 20.00 H new ATOM 0 HG2 LYS A 6 21.882 17.900 31.966 1.00 20.00 H new ATOM 0 HG3 LYS A 6 22.163 17.428 30.302 1.00 20.00 H new ATOM 0 HD2 LYS A 6 24.632 17.323 30.765 1.00 20.00 H new ATOM 0 HD3 LYS A 6 24.327 17.755 32.435 1.00 20.00 H new ATOM 0 HE2 LYS A 6 23.086 15.313 31.096 1.00 20.00 H new ATOM 0 HE3 LYS A 6 24.605 15.255 31.968 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 22.712 14.607 33.324 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 23.498 15.974 33.955 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 22.026 16.148 33.126 1.00 20.00 H new ATOM 91 N GLY A 7 22.673 22.790 31.364 1.00 20.00 N ATOM 92 CA GLY A 7 23.154 24.129 31.042 1.00 20.00 C ATOM 93 C GLY A 7 23.688 24.289 29.614 1.00 20.00 C ATOM 94 O GLY A 7 24.407 25.256 29.357 1.00 20.00 O ATOM 0 H GLY A 7 21.657 22.734 31.435 1.00 20.00 H new ATOM 0 HA2 GLY A 7 22.341 24.839 31.194 1.00 20.00 H new ATOM 0 HA3 GLY A 7 23.945 24.395 31.743 1.00 20.00 H new ATOM 98 N PHE A 8 23.367 23.355 28.700 1.00 20.00 N ATOM 99 CA PHE A 8 23.801 23.376 27.303 1.00 20.00 C ATOM 100 C PHE A 8 23.325 24.633 26.556 1.00 20.00 C ATOM 101 O PHE A 8 22.438 25.355 27.018 1.00 20.00 O ATOM 102 CB PHE A 8 23.308 22.103 26.592 1.00 20.00 C ATOM 103 CG PHE A 8 24.001 20.813 26.995 1.00 20.00 C ATOM 104 CD1 PHE A 8 23.258 19.717 27.468 1.00 20.00 C ATOM 105 CD2 PHE A 8 25.393 20.678 26.820 1.00 20.00 C ATOM 106 CE1 PHE A 8 23.897 18.495 27.749 1.00 20.00 C ATOM 107 CE2 PHE A 8 26.035 19.464 27.118 1.00 20.00 C ATOM 108 CZ PHE A 8 25.286 18.368 27.579 1.00 20.00 C ATOM 0 H PHE A 8 22.785 22.548 28.924 1.00 20.00 H new ATOM 0 HA PHE A 8 24.891 23.404 27.295 1.00 20.00 H new ATOM 0 HB2 PHE A 8 22.240 21.994 26.780 1.00 20.00 H new ATOM 0 HB3 PHE A 8 23.430 22.239 25.517 1.00 20.00 H new ATOM 0 HD1 PHE A 8 22.193 19.813 27.616 1.00 20.00 H new ATOM 0 HD2 PHE A 8 25.971 21.514 26.454 1.00 20.00 H new ATOM 0 HE1 PHE A 8 23.318 17.652 28.096 1.00 20.00 H new ATOM 0 HE2 PHE A 8 27.104 19.373 26.993 1.00 20.00 H new ATOM 0 HZ PHE A 8 25.776 17.432 27.802 1.00 20.00 H new ATOM 118 N GLY A 9 23.922 24.875 25.379 1.00 20.00 N ATOM 119 CA GLY A 9 23.702 26.059 24.554 1.00 20.00 C ATOM 120 C GLY A 9 22.242 26.273 24.150 1.00 20.00 C ATOM 121 O GLY A 9 21.806 27.423 24.079 1.00 20.00 O ATOM 0 H GLY A 9 24.593 24.226 24.967 1.00 20.00 H new ATOM 0 HA2 GLY A 9 24.051 26.938 25.097 1.00 20.00 H new ATOM 0 HA3 GLY A 9 24.310 25.979 23.653 1.00 20.00 H new ATOM 125 N CYS A 10 21.493 25.176 23.936 1.00 20.00 N ATOM 126 CA CYS A 10 20.056 25.153 23.647 1.00 20.00 C ATOM 127 C CYS A 10 19.682 26.112 22.498 1.00 20.00 C ATOM 128 O CYS A 10 18.654 26.789 22.551 1.00 20.00 O ATOM 129 CB CYS A 10 19.293 25.402 24.959 1.00 20.00 C ATOM 130 SG CYS A 10 17.504 25.077 24.966 1.00 20.00 S ATOM 0 H CYS A 10 21.897 24.240 23.962 1.00 20.00 H new ATOM 0 HA CYS A 10 19.760 24.173 23.273 1.00 20.00 H new ATOM 0 HB2 CYS A 10 19.749 24.787 25.735 1.00 20.00 H new ATOM 0 HB3 CYS A 10 19.447 26.443 25.245 1.00 20.00 H new ATOM 135 N LEU A 11 20.559 26.209 21.483 1.00 20.00 N ATOM 136 CA LEU A 11 20.465 27.168 20.385 1.00 20.00 C ATOM 137 C LEU A 11 19.172 26.988 19.580 1.00 20.00 C ATOM 138 O LEU A 11 18.659 25.873 19.504 1.00 20.00 O ATOM 139 CB LEU A 11 21.668 26.990 19.440 1.00 20.00 C ATOM 140 CG LEU A 11 22.965 27.629 19.957 1.00 20.00 C ATOM 141 CD1 LEU A 11 24.185 27.054 19.228 1.00 20.00 C ATOM 142 CD2 LEU A 11 22.962 29.164 19.932 1.00 20.00 C ATOM 0 H LEU A 11 21.374 25.601 21.409 1.00 20.00 H new ATOM 0 HA LEU A 11 20.462 28.168 20.820 1.00 20.00 H new ATOM 0 HB2 LEU A 11 21.838 25.925 19.280 1.00 20.00 H new ATOM 0 HB3 LEU A 11 21.423 27.423 18.470 1.00 20.00 H new ATOM 0 HG LEU A 11 23.030 27.363 21.012 1.00 20.00 H new ATOM 0 HD11 LEU A 11 25.092 27.522 19.611 1.00 20.00 H new ATOM 0 HD12 LEU A 11 24.234 25.978 19.394 1.00 20.00 H new ATOM 0 HD13 LEU A 11 24.098 27.253 18.160 1.00 20.00 H new ATOM 0 HD21 LEU A 11 23.913 29.536 20.313 1.00 20.00 H new ATOM 0 HD22 LEU A 11 22.820 29.511 18.908 1.00 20.00 H new ATOM 0 HD23 LEU A 11 22.150 29.536 20.557 1.00 20.00 H new ATOM 154 N PRO A 12 18.683 28.055 18.920 1.00 20.00 N ATOM 155 CA PRO A 12 17.520 28.001 18.041 1.00 20.00 C ATOM 156 C PRO A 12 17.807 27.165 16.785 1.00 20.00 C ATOM 157 O PRO A 12 18.948 26.781 16.522 1.00 20.00 O ATOM 158 CB PRO A 12 17.201 29.465 17.711 1.00 20.00 C ATOM 159 CG PRO A 12 18.555 30.163 17.818 1.00 20.00 C ATOM 160 CD PRO A 12 19.248 29.396 18.942 1.00 20.00 C ATOM 0 HA PRO A 12 16.669 27.511 18.513 1.00 20.00 H new ATOM 0 HB2 PRO A 12 16.776 29.567 16.713 1.00 20.00 H new ATOM 0 HB3 PRO A 12 16.478 29.885 18.410 1.00 20.00 H new ATOM 0 HG2 PRO A 12 19.114 30.104 16.884 1.00 20.00 H new ATOM 0 HG3 PRO A 12 18.446 31.221 18.058 1.00 20.00 H new ATOM 0 HD2 PRO A 12 20.327 29.368 18.788 1.00 20.00 H new ATOM 0 HD3 PRO A 12 19.076 29.876 19.905 1.00 20.00 H new ATOM 168 N GLN A 13 16.758 26.897 15.998 1.00 20.00 N ATOM 169 CA GLN A 13 16.830 26.094 14.780 1.00 20.00 C ATOM 170 C GLN A 13 17.740 26.728 13.709 1.00 20.00 C ATOM 171 O GLN A 13 18.266 26.011 12.858 1.00 20.00 O ATOM 172 CB GLN A 13 15.416 25.856 14.214 1.00 20.00 C ATOM 173 CG GLN A 13 14.439 25.165 15.189 1.00 20.00 C ATOM 174 CD GLN A 13 13.609 26.154 16.018 1.00 20.00 C ATOM 175 OE1 GLN A 13 14.030 26.607 17.079 1.00 20.00 O ATOM 176 NE2 GLN A 13 12.415 26.501 15.540 1.00 20.00 N ATOM 0 H GLN A 13 15.819 27.241 16.197 1.00 20.00 H new ATOM 0 HA GLN A 13 17.276 25.137 15.050 1.00 20.00 H new ATOM 0 HB2 GLN A 13 14.993 26.815 13.916 1.00 20.00 H new ATOM 0 HB3 GLN A 13 15.498 25.249 13.312 1.00 20.00 H new ATOM 0 HG2 GLN A 13 13.766 24.521 14.623 1.00 20.00 H new ATOM 0 HG3 GLN A 13 15.004 24.521 15.863 1.00 20.00 H new ATOM 0 HE21 GLN A 13 12.087 26.112 14.656 1.00 20.00 H new ATOM 0 HE22 GLN A 13 11.829 27.156 16.058 1.00 20.00 H new ATOM 185 N SER A 14 17.962 28.052 13.779 1.00 20.00 N ATOM 186 CA SER A 14 18.845 28.829 12.907 1.00 20.00 C ATOM 187 C SER A 14 20.336 28.757 13.293 1.00 20.00 C ATOM 188 O SER A 14 21.161 29.330 12.578 1.00 20.00 O ATOM 189 CB SER A 14 18.368 30.289 12.908 1.00 20.00 C ATOM 190 OG SER A 14 18.451 30.865 14.198 1.00 20.00 O ATOM 0 H SER A 14 17.505 28.633 14.482 1.00 20.00 H new ATOM 0 HA SER A 14 18.782 28.390 11.911 1.00 20.00 H new ATOM 0 HB2 SER A 14 18.972 30.870 12.210 1.00 20.00 H new ATOM 0 HB3 SER A 14 17.338 30.336 12.554 1.00 20.00 H new ATOM 0 HG SER A 14 18.142 31.794 14.162 1.00 20.00 H new ATOM 196 N ASP A 15 20.687 28.081 14.399 1.00 20.00 N ATOM 197 CA ASP A 15 22.035 28.043 14.972 1.00 20.00 C ATOM 198 C ASP A 15 22.522 26.622 15.254 1.00 20.00 C ATOM 199 O ASP A 15 23.680 26.341 14.967 1.00 20.00 O ATOM 200 CB ASP A 15 22.077 28.885 16.257 1.00 20.00 C ATOM 201 CG ASP A 15 22.381 30.347 15.946 1.00 20.00 C ATOM 202 OD1 ASP A 15 23.587 30.679 15.923 1.00 20.00 O ATOM 203 OD2 ASP A 15 21.413 31.114 15.741 1.00 20.00 O ATOM 0 H ASP A 15 20.016 27.529 14.933 1.00 20.00 H new ATOM 0 HA ASP A 15 22.713 28.463 14.229 1.00 20.00 H new ATOM 0 HB2 ASP A 15 21.121 28.811 16.775 1.00 20.00 H new ATOM 0 HB3 ASP A 15 22.836 28.488 16.931 1.00 20.00 H new ATOM 208 N CYS A 16 21.671 25.750 15.810 1.00 20.00 N ATOM 209 CA CYS A 16 21.968 24.371 16.176 1.00 20.00 C ATOM 210 C CYS A 16 22.159 23.504 14.915 1.00 20.00 C ATOM 211 O CYS A 16 21.173 23.270 14.214 1.00 20.00 O ATOM 212 CB CYS A 16 20.813 23.856 17.055 1.00 20.00 C ATOM 213 SG CYS A 16 20.918 22.136 17.621 1.00 20.00 S ATOM 0 H CYS A 16 20.708 26.007 16.025 1.00 20.00 H new ATOM 0 HA CYS A 16 22.901 24.315 16.736 1.00 20.00 H new ATOM 0 HB2 CYS A 16 20.742 24.498 17.933 1.00 20.00 H new ATOM 0 HB3 CYS A 16 19.884 23.974 16.498 1.00 20.00 H new ATOM 218 N PRO A 17 23.387 23.037 14.589 1.00 20.00 N ATOM 219 CA PRO A 17 23.646 22.185 13.429 1.00 20.00 C ATOM 220 C PRO A 17 23.298 20.711 13.701 1.00 20.00 C ATOM 221 O PRO A 17 23.074 20.305 14.843 1.00 20.00 O ATOM 222 CB PRO A 17 25.146 22.351 13.160 1.00 20.00 C ATOM 223 CG PRO A 17 25.720 22.498 14.565 1.00 20.00 C ATOM 224 CD PRO A 17 24.641 23.300 15.289 1.00 20.00 C ATOM 0 HA PRO A 17 23.029 22.471 12.577 1.00 20.00 H new ATOM 0 HB2 PRO A 17 25.563 21.489 12.640 1.00 20.00 H new ATOM 0 HB3 PRO A 17 25.353 23.226 12.544 1.00 20.00 H new ATOM 0 HG2 PRO A 17 25.889 21.530 15.036 1.00 20.00 H new ATOM 0 HG3 PRO A 17 26.677 23.021 14.559 1.00 20.00 H new ATOM 0 HD2 PRO A 17 24.571 23.000 16.335 1.00 20.00 H new ATOM 0 HD3 PRO A 17 24.876 24.364 15.277 1.00 20.00 H new ATOM 232 N GLN A 18 23.315 19.903 12.632 1.00 20.00 N ATOM 233 CA GLN A 18 23.156 18.448 12.667 1.00 20.00 C ATOM 234 C GLN A 18 24.324 17.721 13.361 1.00 20.00 C ATOM 235 O GLN A 18 24.191 16.537 13.670 1.00 20.00 O ATOM 236 CB GLN A 18 23.019 17.916 11.229 1.00 20.00 C ATOM 237 CG GLN A 18 21.722 18.339 10.518 1.00 20.00 C ATOM 238 CD GLN A 18 20.451 17.800 11.181 1.00 20.00 C ATOM 239 OE1 GLN A 18 20.433 16.701 11.730 1.00 20.00 O ATOM 240 NE2 GLN A 18 19.365 18.566 11.118 1.00 20.00 N ATOM 0 H GLN A 18 23.445 20.261 11.686 1.00 20.00 H new ATOM 0 HA GLN A 18 22.259 18.245 13.252 1.00 20.00 H new ATOM 0 HB2 GLN A 18 23.870 18.263 10.643 1.00 20.00 H new ATOM 0 HB3 GLN A 18 23.069 16.827 11.251 1.00 20.00 H new ATOM 0 HG2 GLN A 18 21.672 19.427 10.490 1.00 20.00 H new ATOM 0 HG3 GLN A 18 21.756 17.994 9.484 1.00 20.00 H new ATOM 0 HE21 GLN A 18 19.408 19.474 10.656 1.00 20.00 H new ATOM 0 HE22 GLN A 18 18.490 18.245 11.532 1.00 20.00 H new ATOM 249 N GLU A 19 25.450 18.407 13.613 1.00 20.00 N ATOM 250 CA GLU A 19 26.663 17.821 14.182 1.00 20.00 C ATOM 251 C GLU A 19 26.760 18.012 15.702 1.00 20.00 C ATOM 252 O GLU A 19 27.350 17.164 16.371 1.00 20.00 O ATOM 253 CB GLU A 19 27.894 18.442 13.502 1.00 20.00 C ATOM 254 CG GLU A 19 27.931 18.236 11.977 1.00 20.00 C ATOM 255 CD GLU A 19 27.831 16.762 11.576 1.00 20.00 C ATOM 256 OE1 GLU A 19 28.797 16.019 11.860 1.00 20.00 O ATOM 257 OE2 GLU A 19 26.792 16.389 10.984 1.00 20.00 O ATOM 0 H GLU A 19 25.539 19.405 13.421 1.00 20.00 H new ATOM 0 HA GLU A 19 26.623 16.747 13.998 1.00 20.00 H new ATOM 0 HB2 GLU A 19 27.915 19.511 13.716 1.00 20.00 H new ATOM 0 HB3 GLU A 19 28.795 18.012 13.939 1.00 20.00 H new ATOM 0 HG2 GLU A 19 27.110 18.789 11.520 1.00 20.00 H new ATOM 0 HG3 GLU A 19 28.856 18.654 11.581 1.00 20.00 H new ATOM 264 N ALA A 20 26.179 19.094 16.244 1.00 20.00 N ATOM 265 CA ALA A 20 26.257 19.455 17.663 1.00 20.00 C ATOM 266 C ALA A 20 24.966 19.168 18.443 1.00 20.00 C ATOM 267 O ALA A 20 24.958 19.315 19.665 1.00 20.00 O ATOM 268 CB ALA A 20 26.659 20.925 17.792 1.00 20.00 C ATOM 0 H ALA A 20 25.631 19.755 15.693 1.00 20.00 H new ATOM 0 HA ALA A 20 27.018 18.819 18.115 1.00 20.00 H new ATOM 0 HB1 ALA A 20 26.717 21.195 18.846 1.00 20.00 H new ATOM 0 HB2 ALA A 20 27.631 21.079 17.324 1.00 20.00 H new ATOM 0 HB3 ALA A 20 25.915 21.550 17.298 1.00 20.00 H new ATOM 274 N ARG A 21 23.886 18.738 17.770 1.00 20.00 N ATOM 275 CA ARG A 21 22.681 18.240 18.422 1.00 20.00 C ATOM 276 C ARG A 21 22.994 17.012 19.283 1.00 20.00 C ATOM 277 O ARG A 21 23.748 16.126 18.878 1.00 20.00 O ATOM 278 CB ARG A 21 21.596 17.964 17.371 1.00 20.00 C ATOM 279 CG ARG A 21 22.038 17.079 16.193 1.00 20.00 C ATOM 280 CD ARG A 21 20.860 16.572 15.355 1.00 20.00 C ATOM 281 NE ARG A 21 19.991 17.658 14.868 1.00 20.00 N ATOM 282 CZ ARG A 21 18.684 17.543 14.587 1.00 20.00 C ATOM 283 NH1 ARG A 21 18.034 16.385 14.709 1.00 20.00 N ATOM 284 NH2 ARG A 21 18.005 18.612 14.175 1.00 20.00 N ATOM 0 H ARG A 21 23.832 18.729 16.751 1.00 20.00 H new ATOM 0 HA ARG A 21 22.295 19.001 19.100 1.00 20.00 H new ATOM 0 HB2 ARG A 21 20.748 17.489 17.864 1.00 20.00 H new ATOM 0 HB3 ARG A 21 21.243 18.917 16.977 1.00 20.00 H new ATOM 0 HG2 ARG A 21 22.715 17.645 15.554 1.00 20.00 H new ATOM 0 HG3 ARG A 21 22.599 16.226 16.576 1.00 20.00 H new ATOM 0 HD2 ARG A 21 21.242 16.010 14.503 1.00 20.00 H new ATOM 0 HD3 ARG A 21 20.267 15.880 15.953 1.00 20.00 H new ATOM 0 HE ARG A 21 20.419 18.574 14.733 1.00 20.00 H new ATOM 0 HH11 ARG A 21 18.531 15.552 15.024 1.00 20.00 H new ATOM 0 HH12 ARG A 21 17.040 16.332 14.487 1.00 20.00 H new ATOM 0 HH21 ARG A 21 18.479 19.510 14.075 1.00 20.00 H new ATOM 0 HH22 ARG A 21 17.011 18.533 13.959 1.00 20.00 H new ATOM 298 N LEU A 22 22.429 16.983 20.492 1.00 20.00 N ATOM 299 CA LEU A 22 22.593 15.895 21.450 1.00 20.00 C ATOM 300 C LEU A 22 21.726 14.687 21.071 1.00 20.00 C ATOM 301 O LEU A 22 20.896 14.751 20.161 1.00 20.00 O ATOM 302 CB LEU A 22 22.266 16.434 22.854 1.00 20.00 C ATOM 303 CG LEU A 22 23.446 17.259 23.418 1.00 20.00 C ATOM 304 CD1 LEU A 22 22.918 18.284 24.416 1.00 20.00 C ATOM 305 CD2 LEU A 22 24.477 16.349 24.107 1.00 20.00 C ATOM 0 H LEU A 22 21.832 17.734 20.837 1.00 20.00 H new ATOM 0 HA LEU A 22 23.623 15.538 21.440 1.00 20.00 H new ATOM 0 HB2 LEU A 22 21.371 17.055 22.810 1.00 20.00 H new ATOM 0 HB3 LEU A 22 22.045 15.603 23.524 1.00 20.00 H new ATOM 0 HG LEU A 22 23.939 17.768 22.590 1.00 20.00 H new ATOM 0 HD11 LEU A 22 23.749 18.866 24.814 1.00 20.00 H new ATOM 0 HD12 LEU A 22 22.215 18.950 23.916 1.00 20.00 H new ATOM 0 HD13 LEU A 22 22.412 17.769 25.233 1.00 20.00 H new ATOM 0 HD21 LEU A 22 25.296 16.955 24.494 1.00 20.00 H new ATOM 0 HD22 LEU A 22 24.000 15.816 24.929 1.00 20.00 H new ATOM 0 HD23 LEU A 22 24.867 15.630 23.386 1.00 20.00 H new ATOM 317 N SER A 23 21.927 13.574 21.791 1.00 20.00 N ATOM 318 CA SER A 23 21.138 12.346 21.633 1.00 20.00 C ATOM 319 C SER A 23 19.709 12.491 22.197 1.00 20.00 C ATOM 320 O SER A 23 18.858 11.630 21.968 1.00 20.00 O ATOM 321 CB SER A 23 21.890 11.190 22.306 1.00 20.00 C ATOM 322 OG SER A 23 21.339 9.943 21.938 1.00 20.00 O ATOM 0 H SER A 23 22.650 13.501 22.507 1.00 20.00 H new ATOM 0 HA SER A 23 21.020 12.139 20.569 1.00 20.00 H new ATOM 0 HB2 SER A 23 22.942 11.224 22.024 1.00 20.00 H new ATOM 0 HB3 SER A 23 21.846 11.305 23.389 1.00 20.00 H new ATOM 0 HG SER A 23 20.375 10.042 21.789 1.00 20.00 H new ATOM 328 N TYR A 24 19.444 13.599 22.902 1.00 20.00 N ATOM 329 CA TYR A 24 18.173 13.961 23.511 1.00 20.00 C ATOM 330 C TYR A 24 17.846 15.444 23.263 1.00 20.00 C ATOM 331 O TYR A 24 18.670 16.198 22.741 1.00 20.00 O ATOM 332 CB TYR A 24 18.213 13.580 25.004 1.00 20.00 C ATOM 333 CG TYR A 24 19.466 13.974 25.785 1.00 20.00 C ATOM 334 CD1 TYR A 24 19.878 15.319 25.885 1.00 20.00 C ATOM 335 CD2 TYR A 24 20.209 12.978 26.453 1.00 20.00 C ATOM 336 CE1 TYR A 24 20.988 15.668 26.676 1.00 20.00 C ATOM 337 CE2 TYR A 24 21.335 13.315 27.224 1.00 20.00 C ATOM 338 CZ TYR A 24 21.726 14.669 27.347 1.00 20.00 C ATOM 339 OH TYR A 24 22.803 15.011 28.112 1.00 20.00 O ATOM 0 H TYR A 24 20.161 14.305 23.068 1.00 20.00 H new ATOM 0 HA TYR A 24 17.357 13.405 23.049 1.00 20.00 H new ATOM 0 HB2 TYR A 24 17.351 14.035 25.493 1.00 20.00 H new ATOM 0 HB3 TYR A 24 18.091 12.500 25.082 1.00 20.00 H new ATOM 0 HD1 TYR A 24 19.338 16.086 25.351 1.00 20.00 H new ATOM 0 HD2 TYR A 24 19.909 11.944 26.371 1.00 20.00 H new ATOM 0 HE1 TYR A 24 21.277 16.704 26.770 1.00 20.00 H new ATOM 0 HE2 TYR A 24 21.901 12.541 27.722 1.00 20.00 H new ATOM 0 HH TYR A 24 23.196 14.203 28.504 1.00 20.00 H new ATOM 349 N GLY A 25 16.624 15.853 23.638 1.00 20.00 N ATOM 350 CA GLY A 25 16.083 17.183 23.390 1.00 20.00 C ATOM 351 C GLY A 25 15.140 17.624 24.505 1.00 20.00 C ATOM 352 O GLY A 25 13.942 17.789 24.276 1.00 20.00 O ATOM 0 H GLY A 25 15.973 15.245 24.135 1.00 20.00 H new ATOM 0 HA2 GLY A 25 16.901 17.898 23.301 1.00 20.00 H new ATOM 0 HA3 GLY A 25 15.550 17.188 22.439 1.00 20.00 H new ATOM 356 N GLY A 26 15.698 17.839 25.702 1.00 20.00 N ATOM 357 CA GLY A 26 14.986 18.299 26.890 1.00 20.00 C ATOM 358 C GLY A 26 14.671 19.800 26.898 1.00 20.00 C ATOM 359 O GLY A 26 13.930 20.243 27.774 1.00 20.00 O ATOM 0 H GLY A 26 16.693 17.691 25.871 1.00 20.00 H new ATOM 0 HA2 GLY A 26 14.052 17.744 26.977 1.00 20.00 H new ATOM 0 HA3 GLY A 26 15.582 18.060 27.771 1.00 20.00 H new ATOM 363 N CYS A 27 15.187 20.576 25.930 1.00 20.00 N ATOM 364 CA CYS A 27 14.745 21.943 25.666 1.00 20.00 C ATOM 365 C CYS A 27 13.301 21.973 25.136 1.00 20.00 C ATOM 366 O CYS A 27 12.643 20.939 24.995 1.00 20.00 O ATOM 367 CB CYS A 27 15.721 22.624 24.697 1.00 20.00 C ATOM 368 SG CYS A 27 17.304 23.102 25.445 1.00 20.00 S ATOM 0 H CYS A 27 15.930 20.262 25.306 1.00 20.00 H new ATOM 0 HA CYS A 27 14.745 22.500 26.603 1.00 20.00 H new ATOM 0 HB2 CYS A 27 15.916 21.950 23.862 1.00 20.00 H new ATOM 0 HB3 CYS A 27 15.244 23.513 24.285 1.00 20.00 H new ATOM 373 N SER A 28 12.795 23.184 24.869 1.00 20.00 N ATOM 374 CA SER A 28 11.415 23.429 24.477 1.00 20.00 C ATOM 375 C SER A 28 11.120 22.874 23.079 1.00 20.00 C ATOM 376 O SER A 28 9.987 22.456 22.835 1.00 20.00 O ATOM 377 CB SER A 28 11.146 24.936 24.539 1.00 20.00 C ATOM 378 OG SER A 28 9.769 25.195 24.375 1.00 20.00 O ATOM 0 H SER A 28 13.353 24.036 24.923 1.00 20.00 H new ATOM 0 HA SER A 28 10.750 22.910 25.167 1.00 20.00 H new ATOM 0 HB2 SER A 28 11.486 25.334 25.495 1.00 20.00 H new ATOM 0 HB3 SER A 28 11.714 25.446 23.761 1.00 20.00 H new ATOM 0 HG SER A 28 9.610 26.161 24.418 1.00 20.00 H new ATOM 384 N THR A 29 12.128 22.821 22.188 1.00 20.00 N ATOM 385 CA THR A 29 11.992 22.182 20.876 1.00 20.00 C ATOM 386 C THR A 29 13.335 21.776 20.242 1.00 20.00 C ATOM 387 O THR A 29 13.364 20.797 19.494 1.00 20.00 O ATOM 388 CB THR A 29 11.144 23.069 19.933 1.00 20.00 C ATOM 389 OG1 THR A 29 10.834 22.375 18.743 1.00 20.00 O ATOM 390 CG2 THR A 29 11.792 24.406 19.558 1.00 20.00 C ATOM 0 H THR A 29 13.051 23.218 22.360 1.00 20.00 H new ATOM 0 HA THR A 29 11.465 21.241 21.035 1.00 20.00 H new ATOM 0 HB THR A 29 10.245 23.299 20.505 1.00 20.00 H new ATOM 0 HG1 THR A 29 10.296 22.950 18.159 1.00 20.00 H new ATOM 0 HG21 THR A 29 11.127 24.960 18.895 1.00 20.00 H new ATOM 0 HG22 THR A 29 11.972 24.989 20.461 1.00 20.00 H new ATOM 0 HG23 THR A 29 12.739 24.222 19.050 1.00 20.00 H new ATOM 398 N VAL A 30 14.438 22.476 20.554 1.00 20.00 N ATOM 399 CA VAL A 30 15.763 22.230 20.015 1.00 20.00 C ATOM 400 C VAL A 30 16.820 22.368 21.120 1.00 20.00 C ATOM 401 O VAL A 30 16.802 23.330 21.888 1.00 20.00 O ATOM 402 CB VAL A 30 16.004 23.185 18.828 1.00 20.00 C ATOM 403 CG1 VAL A 30 15.752 24.671 19.139 1.00 20.00 C ATOM 404 CG2 VAL A 30 17.427 23.029 18.305 1.00 20.00 C ATOM 0 H VAL A 30 14.419 23.254 21.213 1.00 20.00 H new ATOM 0 HA VAL A 30 15.842 21.209 19.641 1.00 20.00 H new ATOM 0 HB VAL A 30 15.270 22.893 18.077 1.00 20.00 H new ATOM 0 HG11 VAL A 30 15.946 25.267 18.247 1.00 20.00 H new ATOM 0 HG12 VAL A 30 14.716 24.807 19.448 1.00 20.00 H new ATOM 0 HG13 VAL A 30 16.415 24.992 19.942 1.00 20.00 H new ATOM 0 HG21 VAL A 30 17.583 23.709 17.467 1.00 20.00 H new ATOM 0 HG22 VAL A 30 18.135 23.264 19.100 1.00 20.00 H new ATOM 0 HG23 VAL A 30 17.582 22.002 17.973 1.00 20.00 H new ATOM 414 N CYS A 31 17.770 21.422 21.155 1.00 20.00 N ATOM 415 CA CYS A 31 18.935 21.434 22.038 1.00 20.00 C ATOM 416 C CYS A 31 20.213 21.096 21.259 1.00 20.00 C ATOM 417 O CYS A 31 20.218 20.184 20.430 1.00 20.00 O ATOM 418 CB CYS A 31 18.731 20.466 23.213 1.00 20.00 C ATOM 419 SG CYS A 31 19.849 20.770 24.613 1.00 20.00 S ATOM 0 H CYS A 31 17.743 20.603 20.548 1.00 20.00 H new ATOM 0 HA CYS A 31 19.048 22.439 22.444 1.00 20.00 H new ATOM 0 HB2 CYS A 31 17.700 20.542 23.560 1.00 20.00 H new ATOM 0 HB3 CYS A 31 18.875 19.445 22.860 1.00 20.00 H new ATOM 424 N CYS A 32 21.298 21.816 21.576 1.00 20.00 N ATOM 425 CA CYS A 32 22.646 21.607 21.055 1.00 20.00 C ATOM 426 C CYS A 32 23.661 21.827 22.181 1.00 20.00 C ATOM 427 O CYS A 32 23.523 22.762 22.977 1.00 20.00 O ATOM 428 CB CYS A 32 22.931 22.597 19.912 1.00 20.00 C ATOM 429 SG CYS A 32 22.843 21.919 18.233 1.00 20.00 S ATOM 0 H CYS A 32 21.252 22.595 22.233 1.00 20.00 H new ATOM 0 HA CYS A 32 22.728 20.589 20.673 1.00 20.00 H new ATOM 0 HB2 CYS A 32 22.222 23.422 19.987 1.00 20.00 H new ATOM 0 HB3 CYS A 32 23.926 23.017 20.061 1.00 20.00 H new ATOM 434 N ASP A 33 24.707 20.986 22.209 1.00 20.00 N ATOM 435 CA ASP A 33 25.843 21.152 23.112 1.00 20.00 C ATOM 436 C ASP A 33 26.863 22.152 22.536 1.00 20.00 C ATOM 437 O ASP A 33 26.830 22.485 21.346 1.00 20.00 O ATOM 438 CB ASP A 33 26.481 19.781 23.419 1.00 20.00 C ATOM 439 CG ASP A 33 27.499 19.264 22.396 1.00 20.00 C ATOM 440 OD1 ASP A 33 28.697 19.584 22.562 1.00 20.00 O ATOM 441 OD2 ASP A 33 27.095 18.507 21.490 1.00 20.00 O ATOM 0 H ASP A 33 24.783 20.170 21.601 1.00 20.00 H new ATOM 0 HA ASP A 33 25.489 21.571 24.054 1.00 20.00 H new ATOM 0 HB2 ASP A 33 26.972 19.841 24.390 1.00 20.00 H new ATOM 0 HB3 ASP A 33 25.683 19.044 23.510 1.00 20.00 H new ATOM 446 N LEU A 34 27.801 22.592 23.386 1.00 20.00 N ATOM 447 CA LEU A 34 28.894 23.520 23.054 1.00 20.00 C ATOM 448 C LEU A 34 30.270 22.988 23.498 1.00 20.00 C ATOM 449 O LEU A 34 31.273 23.665 23.279 1.00 20.00 O ATOM 450 CB LEU A 34 28.603 24.890 23.697 1.00 20.00 C ATOM 451 CG LEU A 34 27.318 25.584 23.203 1.00 20.00 C ATOM 452 CD1 LEU A 34 27.087 26.868 24.018 1.00 20.00 C ATOM 453 CD2 LEU A 34 27.382 25.961 21.711 1.00 20.00 C ATOM 0 H LEU A 34 27.821 22.300 24.363 1.00 20.00 H new ATOM 0 HA LEU A 34 28.939 23.621 21.970 1.00 20.00 H new ATOM 0 HB2 LEU A 34 28.535 24.760 24.777 1.00 20.00 H new ATOM 0 HB3 LEU A 34 29.450 25.550 23.508 1.00 20.00 H new ATOM 0 HG LEU A 34 26.501 24.875 23.336 1.00 20.00 H new ATOM 0 HD11 LEU A 34 26.179 27.361 23.671 1.00 20.00 H new ATOM 0 HD12 LEU A 34 26.982 26.615 25.073 1.00 20.00 H new ATOM 0 HD13 LEU A 34 27.936 27.539 23.888 1.00 20.00 H new ATOM 0 HD21 LEU A 34 26.451 26.446 21.418 1.00 20.00 H new ATOM 0 HD22 LEU A 34 28.215 26.644 21.544 1.00 20.00 H new ATOM 0 HD23 LEU A 34 27.525 25.060 21.114 1.00 20.00 H new ATOM 465 N SER A 35 30.336 21.792 24.103 1.00 20.00 N ATOM 466 CA SER A 35 31.536 21.233 24.726 1.00 20.00 C ATOM 467 C SER A 35 32.694 20.992 23.743 1.00 20.00 C ATOM 468 O SER A 35 33.855 21.012 24.156 1.00 20.00 O ATOM 469 CB SER A 35 31.150 19.932 25.434 1.00 20.00 C ATOM 470 OG SER A 35 32.204 19.484 26.261 1.00 20.00 O ATOM 0 H SER A 35 29.529 21.172 24.172 1.00 20.00 H new ATOM 0 HA SER A 35 31.913 21.969 25.436 1.00 20.00 H new ATOM 0 HB2 SER A 35 30.253 20.090 26.033 1.00 20.00 H new ATOM 0 HB3 SER A 35 30.910 19.167 24.695 1.00 20.00 H new ATOM 0 HG SER A 35 31.939 18.652 26.707 1.00 20.00 H new ATOM 476 N LYS A 36 32.394 20.804 22.448 1.00 20.00 N ATOM 477 CA LYS A 36 33.387 20.584 21.390 1.00 20.00 C ATOM 478 C LYS A 36 34.266 21.817 21.120 1.00 20.00 C ATOM 479 O LYS A 36 35.353 21.665 20.560 1.00 20.00 O ATOM 480 CB LYS A 36 32.675 20.164 20.091 1.00 20.00 C ATOM 481 CG LYS A 36 31.726 18.953 20.192 1.00 20.00 C ATOM 482 CD LYS A 36 32.392 17.570 20.243 1.00 20.00 C ATOM 483 CE LYS A 36 33.028 17.248 21.597 1.00 20.00 C ATOM 484 NZ LYS A 36 33.535 15.866 21.638 1.00 20.00 N ATOM 0 H LYS A 36 31.434 20.801 22.103 1.00 20.00 H new ATOM 0 HA LYS A 36 34.050 19.792 21.738 1.00 20.00 H new ATOM 0 HB2 LYS A 36 32.104 21.016 19.723 1.00 20.00 H new ATOM 0 HB3 LYS A 36 33.434 19.942 19.341 1.00 20.00 H new ATOM 0 HG2 LYS A 36 31.114 19.071 21.086 1.00 20.00 H new ATOM 0 HG3 LYS A 36 31.050 18.976 19.338 1.00 20.00 H new ATOM 0 HD2 LYS A 36 31.648 16.808 20.010 1.00 20.00 H new ATOM 0 HD3 LYS A 36 33.157 17.515 19.469 1.00 20.00 H new ATOM 0 HE2 LYS A 36 33.845 17.943 21.791 1.00 20.00 H new ATOM 0 HE3 LYS A 36 32.293 17.391 22.389 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 33.960 15.680 22.569 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 32.750 15.203 21.477 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 34.254 15.738 20.897 1.00 20.00 H new ATOM 498 N LEU A 37 33.826 23.015 21.544 1.00 20.00 N ATOM 499 CA LEU A 37 34.599 24.257 21.445 1.00 20.00 C ATOM 500 C LEU A 37 35.862 24.246 22.325 1.00 20.00 C ATOM 501 O LEU A 37 36.827 24.943 22.007 1.00 20.00 O ATOM 502 CB LEU A 37 33.728 25.459 21.845 1.00 20.00 C ATOM 503 CG LEU A 37 32.533 25.746 20.910 1.00 20.00 C ATOM 504 CD1 LEU A 37 31.622 26.807 21.544 1.00 20.00 C ATOM 505 CD2 LEU A 37 32.976 26.250 19.526 1.00 20.00 C ATOM 0 H LEU A 37 32.909 23.145 21.971 1.00 20.00 H new ATOM 0 HA LEU A 37 34.915 24.341 20.405 1.00 20.00 H new ATOM 0 HB2 LEU A 37 33.348 25.292 22.853 1.00 20.00 H new ATOM 0 HB3 LEU A 37 34.359 26.347 21.885 1.00 20.00 H new ATOM 0 HG LEU A 37 32.003 24.803 20.776 1.00 20.00 H new ATOM 0 HD11 LEU A 37 30.780 27.007 20.881 1.00 20.00 H new ATOM 0 HD12 LEU A 37 31.251 26.443 22.502 1.00 20.00 H new ATOM 0 HD13 LEU A 37 32.187 27.726 21.700 1.00 20.00 H new ATOM 0 HD21 LEU A 37 32.097 26.436 18.908 1.00 20.00 H new ATOM 0 HD22 LEU A 37 33.542 27.174 19.640 1.00 20.00 H new ATOM 0 HD23 LEU A 37 33.602 25.497 19.048 1.00 20.00 H new ATOM 517 N THR A 38 35.855 23.454 23.410 1.00 20.00 N ATOM 518 CA THR A 38 36.913 23.354 24.413 1.00 20.00 C ATOM 519 C THR A 38 37.504 21.937 24.505 1.00 20.00 C ATOM 520 O THR A 38 38.403 21.707 25.317 1.00 20.00 O ATOM 521 CB THR A 38 36.363 23.825 25.770 1.00 20.00 C ATOM 522 OG1 THR A 38 35.147 23.180 26.098 1.00 20.00 O ATOM 523 CG2 THR A 38 36.153 25.343 25.793 1.00 20.00 C ATOM 0 H THR A 38 35.069 22.838 23.616 1.00 20.00 H new ATOM 0 HA THR A 38 37.737 24.000 24.111 1.00 20.00 H new ATOM 0 HB THR A 38 37.112 23.557 26.515 1.00 20.00 H new ATOM 0 HG1 THR A 38 34.829 23.503 26.967 1.00 20.00 H new ATOM 0 HG21 THR A 38 35.764 25.642 26.766 1.00 20.00 H new ATOM 0 HG22 THR A 38 37.104 25.845 25.613 1.00 20.00 H new ATOM 0 HG23 THR A 38 35.442 25.624 25.016 1.00 20.00 H new ATOM 531 N GLY A 39 37.023 21.005 23.665 1.00 20.00 N ATOM 532 CA GLY A 39 37.499 19.624 23.619 1.00 20.00 C ATOM 533 C GLY A 39 37.165 18.977 22.278 1.00 20.00 C ATOM 534 O GLY A 39 36.218 18.162 22.246 1.00 20.00 O ATOM 0 H GLY A 39 36.282 21.199 22.992 1.00 20.00 H new ATOM 0 HA2 GLY A 39 38.577 19.601 23.780 1.00 20.00 H new ATOM 0 HA3 GLY A 39 37.044 19.051 24.427 1.00 20.00 H new TER 538 GLY A 39