USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 THR N :NH3+ 171:sc= 1.32 (180deg=1.15) USER MOD Single : A 1 THR OG1 : rot 118:sc= 1.25 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.452 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.58! C(o=-2.6!,f=-3.2!) USER MOD Single : A 14 ASN : amide:sc= 0.797 K(o=0.8,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.402 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -77:sc= 1.2 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.27! C(o=-1.3!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -5.993 -3.370 7.736 1.00 0.00 N ATOM 2 CA THR A 1 -4.647 -3.783 7.303 1.00 0.00 C ATOM 3 C THR A 1 -4.382 -3.273 5.892 1.00 0.00 C ATOM 4 O THR A 1 -5.235 -3.391 5.011 1.00 0.00 O ATOM 5 CB THR A 1 -4.521 -5.316 7.334 1.00 0.00 C ATOM 6 OG1 THR A 1 -5.032 -5.809 8.577 1.00 0.00 O ATOM 7 CG2 THR A 1 -3.072 -5.754 7.176 1.00 0.00 C ATOM 0 H1 THR A 1 -6.230 -3.844 8.631 1.00 0.00 H new ATOM 0 H2 THR A 1 -6.012 -2.339 7.874 1.00 0.00 H new ATOM 0 H3 THR A 1 -6.688 -3.635 7.009 1.00 0.00 H new ATOM 0 HA THR A 1 -3.912 -3.357 7.986 1.00 0.00 H new ATOM 0 HB THR A 1 -5.095 -5.723 6.502 1.00 0.00 H new ATOM 0 HG1 THR A 1 -5.797 -6.397 8.406 1.00 0.00 H new ATOM 0 HG21 THR A 1 -3.016 -6.842 7.202 1.00 0.00 H new ATOM 0 HG22 THR A 1 -2.685 -5.393 6.223 1.00 0.00 H new ATOM 0 HG23 THR A 1 -2.476 -5.341 7.990 1.00 0.00 H new ATOM 17 N THR A 2 -3.217 -2.691 5.675 1.00 0.00 N ATOM 18 CA THR A 2 -2.885 -2.135 4.376 1.00 0.00 C ATOM 19 C THR A 2 -1.716 -2.886 3.746 1.00 0.00 C ATOM 20 O THR A 2 -0.655 -3.029 4.358 1.00 0.00 O ATOM 21 CB THR A 2 -2.534 -0.642 4.489 1.00 0.00 C ATOM 22 OG1 THR A 2 -3.515 0.029 5.295 1.00 0.00 O ATOM 23 CG2 THR A 2 -2.478 0.009 3.115 1.00 0.00 C ATOM 0 H THR A 2 -2.486 -2.591 6.380 1.00 0.00 H new ATOM 0 HA THR A 2 -3.763 -2.244 3.739 1.00 0.00 H new ATOM 0 HB THR A 2 -1.552 -0.557 4.955 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.286 0.979 5.365 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.228 1.064 3.222 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.718 -0.484 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.448 -0.086 2.627 1.00 0.00 H new ATOM 31 N CYS A 3 -1.921 -3.360 2.527 1.00 0.00 N ATOM 32 CA CYS A 3 -0.897 -4.095 1.795 1.00 0.00 C ATOM 33 C CYS A 3 -0.961 -3.738 0.321 1.00 0.00 C ATOM 34 O CYS A 3 -2.042 -3.510 -0.224 1.00 0.00 O ATOM 35 CB CYS A 3 -1.066 -5.604 1.988 1.00 0.00 C ATOM 36 SG CYS A 3 -0.805 -6.163 3.705 1.00 0.00 S ATOM 0 H CYS A 3 -2.797 -3.248 2.017 1.00 0.00 H new ATOM 0 HA CYS A 3 0.080 -3.813 2.187 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.069 -5.891 1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.365 -6.125 1.336 1.00 0.00 H new ATOM 41 N CYS A 4 0.190 -3.686 -0.324 1.00 0.00 N ATOM 42 CA CYS A 4 0.266 -3.176 -1.680 1.00 0.00 C ATOM 43 C CYS A 4 0.988 -4.163 -2.585 1.00 0.00 C ATOM 44 O CYS A 4 1.889 -4.872 -2.140 1.00 0.00 O ATOM 45 CB CYS A 4 1.007 -1.837 -1.686 1.00 0.00 C ATOM 46 SG CYS A 4 0.699 -0.796 -0.215 1.00 0.00 S ATOM 0 H CYS A 4 1.082 -3.989 0.068 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.748 -3.036 -2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.077 -2.028 -1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 4 0.718 -1.280 -2.577 1.00 0.00 H new ATOM 51 N PRO A 5 0.584 -4.237 -3.860 1.00 0.00 N ATOM 52 CA PRO A 5 1.300 -5.015 -4.866 1.00 0.00 C ATOM 53 C PRO A 5 2.611 -4.337 -5.239 1.00 0.00 C ATOM 54 O PRO A 5 2.769 -3.139 -5.004 1.00 0.00 O ATOM 55 CB PRO A 5 0.353 -5.037 -6.075 1.00 0.00 C ATOM 56 CG PRO A 5 -0.940 -4.458 -5.594 1.00 0.00 C ATOM 57 CD PRO A 5 -0.601 -3.581 -4.425 1.00 0.00 C ATOM 0 HA PRO A 5 1.555 -6.014 -4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.760 -4.452 -6.900 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.213 -6.053 -6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.426 -3.884 -6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.633 -5.246 -5.300 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.388 -2.558 -4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.418 -3.532 -3.705 1.00 0.00 H new ATOM 65 N SER A 6 3.512 -5.098 -5.859 1.00 0.00 N ATOM 66 CA SER A 6 4.846 -4.633 -6.210 1.00 0.00 C ATOM 67 C SER A 6 5.640 -4.132 -4.995 1.00 0.00 C ATOM 68 O SER A 6 5.236 -3.201 -4.296 1.00 0.00 O ATOM 69 CB SER A 6 4.721 -3.556 -7.276 1.00 0.00 C ATOM 70 OG SER A 6 5.927 -2.825 -7.451 1.00 0.00 O ATOM 0 H SER A 6 3.331 -6.064 -6.133 1.00 0.00 H new ATOM 0 HA SER A 6 5.414 -5.477 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.438 -4.016 -8.222 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.920 -2.870 -7.003 1.00 0.00 H new ATOM 0 HG SER A 6 5.800 -2.146 -8.146 1.00 0.00 H new ATOM 76 N ILE A 7 6.791 -4.754 -4.754 1.00 0.00 N ATOM 77 CA ILE A 7 7.673 -4.332 -3.673 1.00 0.00 C ATOM 78 C ILE A 7 8.079 -2.876 -3.874 1.00 0.00 C ATOM 79 O ILE A 7 8.235 -2.121 -2.914 1.00 0.00 O ATOM 80 CB ILE A 7 8.942 -5.214 -3.587 1.00 0.00 C ATOM 81 CG1 ILE A 7 8.558 -6.686 -3.426 1.00 0.00 C ATOM 82 CG2 ILE A 7 9.825 -4.765 -2.432 1.00 0.00 C ATOM 83 CD1 ILE A 7 9.744 -7.625 -3.360 1.00 0.00 C ATOM 0 H ILE A 7 7.133 -5.550 -5.292 1.00 0.00 H new ATOM 0 HA ILE A 7 7.123 -4.441 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 7 9.504 -5.102 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.966 -6.800 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.921 -6.979 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.713 -5.396 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.124 -3.728 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.271 -4.849 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.391 -8.650 -3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.325 -7.542 -4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.371 -7.360 -2.508 1.00 0.00 H new ATOM 95 N VAL A 8 8.212 -2.482 -5.134 1.00 0.00 N ATOM 96 CA VAL A 8 8.561 -1.109 -5.480 1.00 0.00 C ATOM 97 C VAL A 8 7.403 -0.166 -5.156 1.00 0.00 C ATOM 98 O VAL A 8 7.605 0.913 -4.589 1.00 0.00 O ATOM 99 CB VAL A 8 8.918 -0.982 -6.976 1.00 0.00 C ATOM 100 CG1 VAL A 8 9.379 0.432 -7.303 1.00 0.00 C ATOM 101 CG2 VAL A 8 9.982 -1.999 -7.363 1.00 0.00 C ATOM 0 H VAL A 8 8.083 -3.097 -5.937 1.00 0.00 H new ATOM 0 HA VAL A 8 9.433 -0.833 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 8 8.021 -1.189 -7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.625 0.498 -8.363 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.581 1.138 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.261 0.674 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.219 -1.893 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.881 -1.828 -6.771 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.609 -3.006 -7.174 1.00 0.00 H new ATOM 111 N ALA A 9 6.190 -0.583 -5.502 1.00 0.00 N ATOM 112 CA ALA A 9 5.004 0.225 -5.247 1.00 0.00 C ATOM 113 C ALA A 9 4.724 0.330 -3.751 1.00 0.00 C ATOM 114 O ALA A 9 4.450 1.413 -3.238 1.00 0.00 O ATOM 115 CB ALA A 9 3.799 -0.340 -5.979 1.00 0.00 C ATOM 0 H ALA A 9 6.003 -1.475 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 9 5.195 1.229 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.926 0.279 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.995 -0.347 -7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.610 -1.358 -5.638 1.00 0.00 H new ATOM 121 N ARG A 10 4.816 -0.798 -3.055 1.00 0.00 N ATOM 122 CA ARG A 10 4.611 -0.833 -1.610 1.00 0.00 C ATOM 123 C ARG A 10 5.692 -0.016 -0.901 1.00 0.00 C ATOM 124 O ARG A 10 5.460 0.555 0.167 1.00 0.00 O ATOM 125 CB ARG A 10 4.599 -2.290 -1.118 1.00 0.00 C ATOM 126 CG ARG A 10 4.169 -2.464 0.337 1.00 0.00 C ATOM 127 CD ARG A 10 5.346 -2.370 1.297 1.00 0.00 C ATOM 128 NE ARG A 10 6.287 -3.470 1.106 1.00 0.00 N ATOM 129 CZ ARG A 10 7.611 -3.341 1.133 1.00 0.00 C ATOM 130 NH1 ARG A 10 8.163 -2.153 1.345 1.00 0.00 N ATOM 131 NH2 ARG A 10 8.381 -4.407 0.944 1.00 0.00 N ATOM 0 H ARG A 10 5.032 -1.704 -3.470 1.00 0.00 H new ATOM 0 HA ARG A 10 3.646 -0.386 -1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.929 -2.869 -1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.597 -2.710 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.433 -1.701 0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.680 -3.431 0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.861 -1.421 1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.980 -2.378 2.324 1.00 0.00 H new ATOM 0 HE ARG A 10 5.903 -4.401 0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.572 -1.334 1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.178 -2.059 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.957 -5.320 0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.396 -4.313 0.964 1.00 0.00 H new ATOM 145 N SER A 11 6.867 0.052 -1.512 1.00 0.00 N ATOM 146 CA SER A 11 7.967 0.822 -0.959 1.00 0.00 C ATOM 147 C SER A 11 7.657 2.318 -1.021 1.00 0.00 C ATOM 148 O SER A 11 7.663 2.997 0.006 1.00 0.00 O ATOM 149 CB SER A 11 9.268 0.512 -1.707 1.00 0.00 C ATOM 150 OG SER A 11 10.389 1.070 -1.044 1.00 0.00 O ATOM 0 H SER A 11 7.081 -0.418 -2.392 1.00 0.00 H new ATOM 0 HA SER A 11 8.095 0.540 0.086 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.393 -0.568 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.209 0.906 -2.721 1.00 0.00 H new ATOM 0 HG SER A 11 11.205 0.855 -1.543 1.00 0.00 H new ATOM 156 N ASN A 12 7.352 2.829 -2.217 1.00 0.00 N ATOM 157 CA ASN A 12 7.100 4.263 -2.372 1.00 0.00 C ATOM 158 C ASN A 12 5.786 4.659 -1.709 1.00 0.00 C ATOM 159 O ASN A 12 5.589 5.816 -1.349 1.00 0.00 O ATOM 160 CB ASN A 12 7.112 4.703 -3.842 1.00 0.00 C ATOM 161 CG ASN A 12 5.877 4.301 -4.628 1.00 0.00 C ATOM 162 OD1 ASN A 12 4.861 4.992 -4.603 1.00 0.00 O ATOM 163 ND2 ASN A 12 5.965 3.209 -5.363 1.00 0.00 N ATOM 0 H ASN A 12 7.275 2.284 -3.076 1.00 0.00 H new ATOM 0 HA ASN A 12 7.918 4.782 -1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.217 5.787 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.991 4.279 -4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.174 2.914 -5.935 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.824 2.660 -5.359 1.00 0.00 H new ATOM 170 N PHE A 13 4.890 3.693 -1.552 1.00 0.00 N ATOM 171 CA PHE A 13 3.664 3.895 -0.783 1.00 0.00 C ATOM 172 C PHE A 13 3.998 4.387 0.624 1.00 0.00 C ATOM 173 O PHE A 13 3.381 5.324 1.133 1.00 0.00 O ATOM 174 CB PHE A 13 2.860 2.592 -0.704 1.00 0.00 C ATOM 175 CG PHE A 13 1.704 2.647 0.256 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.513 3.254 -0.105 1.00 0.00 C ATOM 177 CD2 PHE A 13 1.815 2.098 1.524 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.547 3.314 0.781 1.00 0.00 C ATOM 179 CE2 PHE A 13 0.759 2.154 2.412 1.00 0.00 C ATOM 180 CZ PHE A 13 -0.423 2.764 2.042 1.00 0.00 C ATOM 0 H PHE A 13 4.988 2.758 -1.948 1.00 0.00 H new ATOM 0 HA PHE A 13 3.060 4.649 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.483 2.348 -1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.527 1.782 -0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.411 3.686 -1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.738 1.621 1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.471 3.790 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.858 1.720 3.396 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.249 2.811 2.737 1.00 0.00 H new ATOM 190 N ASN A 14 4.994 3.761 1.239 1.00 0.00 N ATOM 191 CA ASN A 14 5.421 4.147 2.575 1.00 0.00 C ATOM 192 C ASN A 14 6.162 5.476 2.537 1.00 0.00 C ATOM 193 O ASN A 14 6.065 6.279 3.467 1.00 0.00 O ATOM 194 CB ASN A 14 6.301 3.061 3.204 1.00 0.00 C ATOM 195 CG ASN A 14 5.483 1.931 3.810 1.00 0.00 C ATOM 196 OD1 ASN A 14 5.132 1.971 4.990 1.00 0.00 O ATOM 197 ND2 ASN A 14 5.165 0.920 3.011 1.00 0.00 N ATOM 0 H ASN A 14 5.519 2.986 0.834 1.00 0.00 H new ATOM 0 HA ASN A 14 4.531 4.264 3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.970 2.655 2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.928 3.507 3.976 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.612 0.141 3.369 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.474 0.922 2.039 1.00 0.00 H new ATOM 204 N VAL A 15 6.884 5.717 1.450 1.00 0.00 N ATOM 205 CA VAL A 15 7.581 6.985 1.264 1.00 0.00 C ATOM 206 C VAL A 15 6.576 8.116 1.047 1.00 0.00 C ATOM 207 O VAL A 15 6.839 9.271 1.369 1.00 0.00 O ATOM 208 CB VAL A 15 8.560 6.932 0.071 1.00 0.00 C ATOM 209 CG1 VAL A 15 9.349 8.227 -0.042 1.00 0.00 C ATOM 210 CG2 VAL A 15 9.502 5.746 0.197 1.00 0.00 C ATOM 0 H VAL A 15 7.003 5.053 0.685 1.00 0.00 H new ATOM 0 HA VAL A 15 8.158 7.173 2.170 1.00 0.00 H new ATOM 0 HB VAL A 15 7.972 6.809 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.031 8.165 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.662 9.060 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.920 8.386 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.182 5.729 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.077 5.834 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.923 4.822 0.217 1.00 0.00 H new ATOM 220 N CYS A 16 5.423 7.770 0.502 1.00 0.00 N ATOM 221 CA CYS A 16 4.344 8.728 0.303 1.00 0.00 C ATOM 222 C CYS A 16 3.830 9.246 1.649 1.00 0.00 C ATOM 223 O CYS A 16 3.483 10.419 1.788 1.00 0.00 O ATOM 224 CB CYS A 16 3.206 8.075 -0.490 1.00 0.00 C ATOM 225 SG CYS A 16 1.782 9.165 -0.817 1.00 0.00 S ATOM 0 H CYS A 16 5.207 6.825 0.186 1.00 0.00 H new ATOM 0 HA CYS A 16 4.728 9.576 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.601 7.721 -1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.857 7.198 0.056 1.00 0.00 H new ATOM 230 N ARG A 17 3.822 8.372 2.651 1.00 0.00 N ATOM 231 CA ARG A 17 3.336 8.738 3.978 1.00 0.00 C ATOM 232 C ARG A 17 4.449 9.349 4.823 1.00 0.00 C ATOM 233 O ARG A 17 4.221 9.754 5.962 1.00 0.00 O ATOM 234 CB ARG A 17 2.756 7.521 4.697 1.00 0.00 C ATOM 235 CG ARG A 17 1.602 6.868 3.958 1.00 0.00 C ATOM 236 CD ARG A 17 0.985 5.747 4.776 1.00 0.00 C ATOM 237 NE ARG A 17 0.294 6.247 5.965 1.00 0.00 N ATOM 238 CZ ARG A 17 0.495 5.784 7.200 1.00 0.00 C ATOM 239 NH1 ARG A 17 1.458 4.899 7.440 1.00 0.00 N ATOM 240 NH2 ARG A 17 -0.252 6.230 8.200 1.00 0.00 N ATOM 0 H ARG A 17 4.145 7.408 2.570 1.00 0.00 H new ATOM 0 HA ARG A 17 2.550 9.482 3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.547 6.785 4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.417 7.823 5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.842 7.616 3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.955 6.474 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.282 5.191 4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.765 5.048 5.078 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.385 6.998 5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.049 4.569 6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.605 4.550 8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.978 6.925 8.024 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.101 5.878 9.145 1.00 0.00 H new ATOM 254 N LEU A 18 5.649 9.413 4.260 1.00 0.00 N ATOM 255 CA LEU A 18 6.796 9.971 4.966 1.00 0.00 C ATOM 256 C LEU A 18 6.615 11.481 5.191 1.00 0.00 C ATOM 257 O LEU A 18 6.734 11.947 6.323 1.00 0.00 O ATOM 258 CB LEU A 18 8.092 9.673 4.196 1.00 0.00 C ATOM 259 CG LEU A 18 9.286 9.234 5.052 1.00 0.00 C ATOM 260 CD1 LEU A 18 10.452 8.833 4.165 1.00 0.00 C ATOM 261 CD2 LEU A 18 9.706 10.337 6.011 1.00 0.00 C ATOM 0 H LEU A 18 5.854 9.085 3.316 1.00 0.00 H new ATOM 0 HA LEU A 18 6.867 9.498 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.887 8.892 3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.376 10.566 3.639 1.00 0.00 H new ATOM 0 HG LEU A 18 8.980 8.371 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.292 8.524 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.152 8.005 3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.749 9.682 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.555 9.999 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.991 11.223 5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.874 10.581 6.672 1.00 0.00 H new ATOM 273 N PRO A 19 6.312 12.276 4.132 1.00 0.00 N ATOM 274 CA PRO A 19 6.026 13.706 4.289 1.00 0.00 C ATOM 275 C PRO A 19 4.739 13.939 5.072 1.00 0.00 C ATOM 276 O PRO A 19 4.557 14.988 5.689 1.00 0.00 O ATOM 277 CB PRO A 19 5.875 14.223 2.853 1.00 0.00 C ATOM 278 CG PRO A 19 6.474 13.168 1.993 1.00 0.00 C ATOM 279 CD PRO A 19 6.244 11.878 2.718 1.00 0.00 C ATOM 0 HA PRO A 19 6.812 14.216 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.827 14.388 2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.388 15.176 2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.007 13.153 1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.538 13.346 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.277 11.441 2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.003 11.135 2.471 1.00 0.00 H new ATOM 287 N GLY A 20 3.852 12.953 5.050 1.00 0.00 N ATOM 288 CA GLY A 20 2.624 13.051 5.812 1.00 0.00 C ATOM 289 C GLY A 20 1.381 12.972 4.948 1.00 0.00 C ATOM 290 O GLY A 20 0.346 13.540 5.294 1.00 0.00 O ATOM 0 H GLY A 20 3.961 12.089 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.597 12.250 6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.618 13.992 6.361 1.00 0.00 H new ATOM 294 N THR A 21 1.474 12.278 3.824 1.00 0.00 N ATOM 295 CA THR A 21 0.314 12.071 2.977 1.00 0.00 C ATOM 296 C THR A 21 -0.463 10.845 3.456 1.00 0.00 C ATOM 297 O THR A 21 0.121 9.780 3.670 1.00 0.00 O ATOM 298 CB THR A 21 0.716 11.897 1.496 1.00 0.00 C ATOM 299 OG1 THR A 21 1.558 12.986 1.093 1.00 0.00 O ATOM 300 CG2 THR A 21 -0.511 11.853 0.592 1.00 0.00 C ATOM 0 H THR A 21 2.335 11.852 3.481 1.00 0.00 H new ATOM 0 HA THR A 21 -0.318 12.956 3.048 1.00 0.00 H new ATOM 0 HB THR A 21 1.252 10.952 1.401 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.813 12.872 0.154 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.195 11.730 -0.444 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.145 11.015 0.880 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.071 12.783 0.693 1.00 0.00 H new ATOM 308 N PRO A 22 -1.782 11.002 3.673 1.00 0.00 N ATOM 309 CA PRO A 22 -2.656 9.922 4.151 1.00 0.00 C ATOM 310 C PRO A 22 -2.537 8.642 3.328 1.00 0.00 C ATOM 311 O PRO A 22 -2.390 8.683 2.102 1.00 0.00 O ATOM 312 CB PRO A 22 -4.058 10.517 4.013 1.00 0.00 C ATOM 313 CG PRO A 22 -3.850 11.984 4.129 1.00 0.00 C ATOM 314 CD PRO A 22 -2.525 12.261 3.480 1.00 0.00 C ATOM 0 HA PRO A 22 -2.397 9.619 5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.509 10.254 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.725 10.147 4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.651 12.533 3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.847 12.297 5.173 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.638 12.503 2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.016 13.104 3.948 1.00 0.00 H new ATOM 322 N GLU A 23 -2.624 7.508 4.018 1.00 0.00 N ATOM 323 CA GLU A 23 -2.467 6.198 3.396 1.00 0.00 C ATOM 324 C GLU A 23 -3.493 5.980 2.287 1.00 0.00 C ATOM 325 O GLU A 23 -3.177 5.391 1.258 1.00 0.00 O ATOM 326 CB GLU A 23 -2.570 5.076 4.446 1.00 0.00 C ATOM 327 CG GLU A 23 -3.957 4.884 5.059 1.00 0.00 C ATOM 328 CD GLU A 23 -4.461 6.105 5.799 1.00 0.00 C ATOM 329 OE1 GLU A 23 -4.087 6.289 6.975 1.00 0.00 O ATOM 330 OE2 GLU A 23 -5.219 6.893 5.197 1.00 0.00 O ATOM 0 H GLU A 23 -2.805 7.472 5.021 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.474 6.167 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.262 4.138 3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.862 5.284 5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.663 4.630 4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.929 4.038 5.746 1.00 0.00 H new ATOM 337 N ALA A 24 -4.710 6.470 2.501 1.00 0.00 N ATOM 338 CA ALA A 24 -5.790 6.324 1.532 1.00 0.00 C ATOM 339 C ALA A 24 -5.401 6.873 0.164 1.00 0.00 C ATOM 340 O ALA A 24 -5.487 6.170 -0.843 1.00 0.00 O ATOM 341 CB ALA A 24 -7.045 7.021 2.037 1.00 0.00 C ATOM 0 H ALA A 24 -4.974 6.977 3.346 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.989 5.258 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.845 6.905 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.352 6.576 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.838 8.081 2.184 1.00 0.00 H new ATOM 347 N LEU A 25 -4.956 8.123 0.134 1.00 0.00 N ATOM 348 CA LEU A 25 -4.600 8.771 -1.119 1.00 0.00 C ATOM 349 C LEU A 25 -3.397 8.076 -1.749 1.00 0.00 C ATOM 350 O LEU A 25 -3.381 7.813 -2.955 1.00 0.00 O ATOM 351 CB LEU A 25 -4.301 10.254 -0.875 1.00 0.00 C ATOM 352 CG LEU A 25 -4.800 11.212 -1.963 1.00 0.00 C ATOM 353 CD1 LEU A 25 -4.597 12.655 -1.534 1.00 0.00 C ATOM 354 CD2 LEU A 25 -4.092 10.953 -3.285 1.00 0.00 C ATOM 0 H LEU A 25 -4.834 8.706 0.962 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.440 8.695 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.748 10.546 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.223 10.378 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.866 11.033 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.957 13.322 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.152 12.843 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.536 12.837 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.465 11.646 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.019 11.098 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.284 9.929 -3.606 1.00 0.00 H new ATOM 366 N CYS A 26 -2.402 7.761 -0.928 1.00 0.00 N ATOM 367 CA CYS A 26 -1.214 7.066 -1.403 1.00 0.00 C ATOM 368 C CYS A 26 -1.581 5.694 -1.969 1.00 0.00 C ATOM 369 O CYS A 26 -1.010 5.252 -2.966 1.00 0.00 O ATOM 370 CB CYS A 26 -0.193 6.912 -0.274 1.00 0.00 C ATOM 371 SG CYS A 26 0.352 8.489 0.458 1.00 0.00 S ATOM 0 H CYS A 26 -2.395 7.976 0.069 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.768 7.663 -2.199 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.626 6.290 0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.679 6.381 -0.657 1.00 0.00 H new ATOM 376 N ALA A 27 -2.551 5.034 -1.339 1.00 0.00 N ATOM 377 CA ALA A 27 -2.999 3.721 -1.781 1.00 0.00 C ATOM 378 C ALA A 27 -3.628 3.797 -3.163 1.00 0.00 C ATOM 379 O ALA A 27 -3.279 3.028 -4.052 1.00 0.00 O ATOM 380 CB ALA A 27 -3.984 3.122 -0.785 1.00 0.00 C ATOM 0 H ALA A 27 -3.041 5.391 -0.519 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.125 3.072 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.305 2.141 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.502 3.020 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.851 3.776 -0.693 1.00 0.00 H new ATOM 386 N THR A 28 -4.539 4.742 -3.342 1.00 0.00 N ATOM 387 CA THR A 28 -5.224 4.919 -4.615 1.00 0.00 C ATOM 388 C THR A 28 -4.237 5.267 -5.736 1.00 0.00 C ATOM 389 O THR A 28 -4.419 4.870 -6.889 1.00 0.00 O ATOM 390 CB THR A 28 -6.288 6.030 -4.501 1.00 0.00 C ATOM 391 OG1 THR A 28 -7.074 5.827 -3.319 1.00 0.00 O ATOM 392 CG2 THR A 28 -7.202 6.045 -5.719 1.00 0.00 C ATOM 0 H THR A 28 -4.823 5.402 -2.618 1.00 0.00 H new ATOM 0 HA THR A 28 -5.709 3.975 -4.863 1.00 0.00 H new ATOM 0 HB THR A 28 -5.772 6.989 -4.445 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.558 6.102 -2.532 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.941 6.839 -5.609 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.609 6.223 -6.616 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.711 5.085 -5.804 1.00 0.00 H new ATOM 400 N TYR A 29 -3.182 5.994 -5.388 1.00 0.00 N ATOM 401 CA TYR A 29 -2.200 6.439 -6.371 1.00 0.00 C ATOM 402 C TYR A 29 -1.244 5.307 -6.757 1.00 0.00 C ATOM 403 O TYR A 29 -0.715 5.284 -7.867 1.00 0.00 O ATOM 404 CB TYR A 29 -1.413 7.631 -5.814 1.00 0.00 C ATOM 405 CG TYR A 29 -0.578 8.362 -6.846 1.00 0.00 C ATOM 406 CD1 TYR A 29 -1.145 9.340 -7.655 1.00 0.00 C ATOM 407 CD2 TYR A 29 0.772 8.080 -7.007 1.00 0.00 C ATOM 408 CE1 TYR A 29 -0.391 10.014 -8.597 1.00 0.00 C ATOM 409 CE2 TYR A 29 1.534 8.751 -7.945 1.00 0.00 C ATOM 410 CZ TYR A 29 0.948 9.716 -8.739 1.00 0.00 C ATOM 411 OH TYR A 29 1.705 10.386 -9.677 1.00 0.00 O ATOM 0 H TYR A 29 -2.984 6.288 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.733 6.745 -7.271 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.113 8.335 -5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.758 7.279 -5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.193 9.577 -7.546 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.234 7.324 -6.389 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.848 10.770 -9.218 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.583 8.521 -8.056 1.00 0.00 H new ATOM 0 HH TYR A 29 2.628 10.058 -9.648 1.00 0.00 H new ATOM 421 N THR A 30 -1.031 4.367 -5.844 1.00 0.00 N ATOM 422 CA THR A 30 -0.078 3.286 -6.070 1.00 0.00 C ATOM 423 C THR A 30 -0.765 1.996 -6.515 1.00 0.00 C ATOM 424 O THR A 30 -0.154 1.148 -7.171 1.00 0.00 O ATOM 425 CB THR A 30 0.740 3.003 -4.795 1.00 0.00 C ATOM 426 OG1 THR A 30 -0.143 2.825 -3.679 1.00 0.00 O ATOM 427 CG2 THR A 30 1.709 4.139 -4.507 1.00 0.00 C ATOM 0 H THR A 30 -1.504 4.331 -4.941 1.00 0.00 H new ATOM 0 HA THR A 30 0.584 3.618 -6.870 1.00 0.00 H new ATOM 0 HB THR A 30 1.316 2.091 -4.953 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.469 3.698 -3.378 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.274 3.915 -3.602 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.396 4.252 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.152 5.065 -4.367 1.00 0.00 H new ATOM 435 N GLY A 31 -2.032 1.854 -6.156 1.00 0.00 N ATOM 436 CA GLY A 31 -2.752 0.626 -6.431 1.00 0.00 C ATOM 437 C GLY A 31 -2.795 -0.272 -5.212 1.00 0.00 C ATOM 438 O GLY A 31 -3.128 -1.453 -5.301 1.00 0.00 O ATOM 0 H GLY A 31 -2.577 2.570 -5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.768 0.861 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.274 0.099 -7.257 1.00 0.00 H new ATOM 442 N CYS A 32 -2.463 0.311 -4.071 1.00 0.00 N ATOM 443 CA CYS A 32 -2.428 -0.410 -2.808 1.00 0.00 C ATOM 444 C CYS A 32 -3.846 -0.628 -2.284 1.00 0.00 C ATOM 445 O CYS A 32 -4.747 0.161 -2.579 1.00 0.00 O ATOM 446 CB CYS A 32 -1.595 0.378 -1.796 1.00 0.00 C ATOM 447 SG CYS A 32 -1.305 -0.482 -0.222 1.00 0.00 S ATOM 0 H CYS A 32 -2.210 1.296 -3.994 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.969 -1.387 -2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.632 0.618 -2.246 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.096 1.324 -1.591 1.00 0.00 H new ATOM 452 N ILE A 33 -4.050 -1.690 -1.512 1.00 0.00 N ATOM 453 CA ILE A 33 -5.383 -2.030 -1.032 1.00 0.00 C ATOM 454 C ILE A 33 -5.470 -1.956 0.489 1.00 0.00 C ATOM 455 O ILE A 33 -4.550 -2.360 1.206 1.00 0.00 O ATOM 456 CB ILE A 33 -5.835 -3.432 -1.509 1.00 0.00 C ATOM 457 CG1 ILE A 33 -4.843 -4.509 -1.061 1.00 0.00 C ATOM 458 CG2 ILE A 33 -5.998 -3.447 -3.025 1.00 0.00 C ATOM 459 CD1 ILE A 33 -5.271 -5.920 -1.409 1.00 0.00 C ATOM 0 H ILE A 33 -3.314 -2.326 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.057 -1.288 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.800 -3.655 -1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.874 -4.310 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.706 -4.437 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.316 -4.439 -3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.748 -2.712 -3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.046 -3.201 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.517 -6.626 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.224 -6.140 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.380 -6.011 -2.490 1.00 0.00 H new ATOM 471 N ILE A 34 -6.579 -1.417 0.968 1.00 0.00 N ATOM 472 CA ILE A 34 -6.838 -1.327 2.392 1.00 0.00 C ATOM 473 C ILE A 34 -7.951 -2.294 2.767 1.00 0.00 C ATOM 474 O ILE A 34 -9.123 -2.061 2.469 1.00 0.00 O ATOM 475 CB ILE A 34 -7.230 0.110 2.802 1.00 0.00 C ATOM 476 CG1 ILE A 34 -6.107 1.083 2.432 1.00 0.00 C ATOM 477 CG2 ILE A 34 -7.530 0.182 4.293 1.00 0.00 C ATOM 478 CD1 ILE A 34 -6.458 2.539 2.651 1.00 0.00 C ATOM 0 H ILE A 34 -7.320 -1.032 0.383 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.924 -1.590 2.925 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.134 0.393 2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.222 0.841 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.844 0.937 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.804 1.203 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.355 -0.489 4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.646 -0.116 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.612 3.164 2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.324 2.800 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.692 2.703 3.703 1.00 0.00 H new ATOM 490 N ILE A 35 -7.578 -3.393 3.393 1.00 0.00 N ATOM 491 CA ILE A 35 -8.534 -4.441 3.719 1.00 0.00 C ATOM 492 C ILE A 35 -8.793 -4.507 5.220 1.00 0.00 C ATOM 493 O ILE A 35 -7.882 -4.309 6.027 1.00 0.00 O ATOM 494 CB ILE A 35 -8.058 -5.825 3.220 1.00 0.00 C ATOM 495 CG1 ILE A 35 -6.694 -6.175 3.825 1.00 0.00 C ATOM 496 CG2 ILE A 35 -7.991 -5.842 1.698 1.00 0.00 C ATOM 497 CD1 ILE A 35 -6.226 -7.575 3.499 1.00 0.00 C ATOM 0 H ILE A 35 -6.621 -3.586 3.687 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.462 -4.186 3.208 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.777 -6.578 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.953 -5.461 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.747 -6.062 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.655 -6.822 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.980 -5.636 1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.291 -5.080 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.254 -7.751 3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.946 -8.298 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.140 -7.687 2.418 1.00 0.00 H new ATOM 509 N PRO A 36 -10.048 -4.772 5.613 1.00 0.00 N ATOM 510 CA PRO A 36 -10.418 -4.937 7.020 1.00 0.00 C ATOM 511 C PRO A 36 -9.955 -6.277 7.581 1.00 0.00 C ATOM 512 O PRO A 36 -9.995 -6.500 8.791 1.00 0.00 O ATOM 513 CB PRO A 36 -11.943 -4.869 6.995 1.00 0.00 C ATOM 514 CG PRO A 36 -12.323 -5.336 5.635 1.00 0.00 C ATOM 515 CD PRO A 36 -11.213 -4.902 4.716 1.00 0.00 C ATOM 0 HA PRO A 36 -9.956 -4.183 7.657 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.380 -5.503 7.767 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.297 -3.854 7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.444 -6.419 5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.275 -4.904 5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.034 -5.636 3.930 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.447 -3.958 4.223 1.00 0.00 H new ATOM 523 N GLY A 37 -9.527 -7.166 6.688 1.00 0.00 N ATOM 524 CA GLY A 37 -9.024 -8.462 7.099 1.00 0.00 C ATOM 525 C GLY A 37 -7.781 -8.344 7.956 1.00 0.00 C ATOM 526 O GLY A 37 -6.994 -7.411 7.791 1.00 0.00 O ATOM 0 H GLY A 37 -9.521 -7.008 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.798 -8.991 7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.800 -9.060 6.216 1.00 0.00 H new ATOM 530 N ALA A 38 -7.602 -9.289 8.866 1.00 0.00 N ATOM 531 CA ALA A 38 -6.487 -9.250 9.800 1.00 0.00 C ATOM 532 C ALA A 38 -5.171 -9.587 9.108 1.00 0.00 C ATOM 533 O ALA A 38 -4.128 -9.023 9.433 1.00 0.00 O ATOM 534 CB ALA A 38 -6.746 -10.199 10.958 1.00 0.00 C ATOM 0 H ALA A 38 -8.217 -10.095 8.978 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.401 -8.235 10.188 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.906 -10.164 11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.658 -9.901 11.476 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.860 -11.214 10.578 1.00 0.00 H new ATOM 540 N THR A 39 -5.225 -10.507 8.156 1.00 0.00 N ATOM 541 CA THR A 39 -4.049 -10.887 7.393 1.00 0.00 C ATOM 542 C THR A 39 -4.259 -10.594 5.910 1.00 0.00 C ATOM 543 O THR A 39 -5.356 -10.788 5.379 1.00 0.00 O ATOM 544 CB THR A 39 -3.730 -12.385 7.577 1.00 0.00 C ATOM 545 OG1 THR A 39 -3.666 -12.700 8.973 1.00 0.00 O ATOM 546 CG2 THR A 39 -2.407 -12.757 6.918 1.00 0.00 C ATOM 0 H THR A 39 -6.076 -11.005 7.894 1.00 0.00 H new ATOM 0 HA THR A 39 -3.209 -10.300 7.764 1.00 0.00 H new ATOM 0 HB THR A 39 -4.526 -12.957 7.100 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.465 -13.653 9.085 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.213 -13.819 7.066 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.460 -12.543 5.850 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.601 -12.175 7.365 1.00 0.00 H new ATOM 554 N CYS A 40 -3.220 -10.107 5.254 1.00 0.00 N ATOM 555 CA CYS A 40 -3.266 -9.867 3.821 1.00 0.00 C ATOM 556 C CYS A 40 -3.002 -11.157 3.057 1.00 0.00 C ATOM 557 O CYS A 40 -2.223 -11.999 3.504 1.00 0.00 O ATOM 558 CB CYS A 40 -2.232 -8.814 3.419 1.00 0.00 C ATOM 559 SG CYS A 40 -2.506 -7.173 4.156 1.00 0.00 S ATOM 0 H CYS A 40 -2.330 -9.869 5.693 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.262 -9.501 3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.241 -9.167 3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.234 -8.716 2.333 1.00 0.00 H new ATOM 564 N PRO A 41 -3.667 -11.340 1.904 1.00 0.00 N ATOM 565 CA PRO A 41 -3.437 -12.498 1.039 1.00 0.00 C ATOM 566 C PRO A 41 -1.985 -12.586 0.578 1.00 0.00 C ATOM 567 O PRO A 41 -1.355 -11.565 0.289 1.00 0.00 O ATOM 568 CB PRO A 41 -4.365 -12.257 -0.159 1.00 0.00 C ATOM 569 CG PRO A 41 -4.732 -10.812 -0.092 1.00 0.00 C ATOM 570 CD PRO A 41 -4.702 -10.447 1.363 1.00 0.00 C ATOM 0 HA PRO A 41 -3.637 -13.436 1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.863 -12.492 -1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.250 -12.890 -0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.029 -10.204 -0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.721 -10.640 -0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.448 -9.397 1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.668 -10.612 1.841 1.00 0.00 H new ATOM 578 N GLY A 42 -1.471 -13.811 0.506 1.00 0.00 N ATOM 579 CA GLY A 42 -0.090 -14.039 0.104 1.00 0.00 C ATOM 580 C GLY A 42 0.244 -13.424 -1.244 1.00 0.00 C ATOM 581 O GLY A 42 1.400 -13.100 -1.512 1.00 0.00 O ATOM 0 H GLY A 42 -1.993 -14.661 0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.576 -13.625 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.099 -15.112 0.065 1.00 0.00 H new ATOM 585 N ASP A 43 -0.774 -13.248 -2.083 1.00 0.00 N ATOM 586 CA ASP A 43 -0.604 -12.625 -3.395 1.00 0.00 C ATOM 587 C ASP A 43 0.044 -11.256 -3.279 1.00 0.00 C ATOM 588 O ASP A 43 0.819 -10.852 -4.144 1.00 0.00 O ATOM 589 CB ASP A 43 -1.952 -12.455 -4.096 1.00 0.00 C ATOM 590 CG ASP A 43 -2.556 -13.760 -4.549 1.00 0.00 C ATOM 591 OD1 ASP A 43 -2.273 -14.181 -5.685 1.00 0.00 O ATOM 592 OD2 ASP A 43 -3.340 -14.354 -3.781 1.00 0.00 O ATOM 0 H ASP A 43 -1.732 -13.530 -1.876 1.00 0.00 H new ATOM 0 HA ASP A 43 0.040 -13.286 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.646 -11.957 -3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.825 -11.802 -4.959 1.00 0.00 H new ATOM 597 N TYR A 44 -0.281 -10.546 -2.209 1.00 0.00 N ATOM 598 CA TYR A 44 0.162 -9.174 -2.044 1.00 0.00 C ATOM 599 C TYR A 44 1.083 -9.043 -0.844 1.00 0.00 C ATOM 600 O TYR A 44 1.200 -7.974 -0.245 1.00 0.00 O ATOM 601 CB TYR A 44 -1.049 -8.249 -1.909 1.00 0.00 C ATOM 602 CG TYR A 44 -1.949 -8.308 -3.123 1.00 0.00 C ATOM 603 CD1 TYR A 44 -1.570 -7.706 -4.314 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.156 -8.996 -3.091 1.00 0.00 C ATOM 605 CE1 TYR A 44 -2.370 -7.779 -5.437 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.959 -9.080 -4.213 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.561 -8.468 -5.383 1.00 0.00 C ATOM 608 OH TYR A 44 -4.345 -8.563 -6.509 1.00 0.00 O ATOM 0 H TYR A 44 -0.852 -10.900 -1.441 1.00 0.00 H new ATOM 0 HA TYR A 44 0.728 -8.880 -2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.619 -8.526 -1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.707 -7.225 -1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.633 -7.171 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.472 -9.473 -2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.063 -7.298 -6.354 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.893 -9.622 -4.174 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.150 -9.082 -6.304 1.00 0.00 H new ATOM 618 N ALA A 45 1.744 -10.139 -0.502 1.00 0.00 N ATOM 619 CA ALA A 45 2.760 -10.109 0.529 1.00 0.00 C ATOM 620 C ALA A 45 4.073 -9.632 -0.076 1.00 0.00 C ATOM 621 O ALA A 45 4.889 -10.427 -0.541 1.00 0.00 O ATOM 622 CB ALA A 45 2.921 -11.479 1.171 1.00 0.00 C ATOM 0 H ALA A 45 1.593 -11.055 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 45 2.456 -9.416 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.690 -11.431 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.975 -11.784 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.213 -12.204 0.412 1.00 0.00 H new ATOM 628 N ASN A 46 4.244 -8.322 -0.107 1.00 0.00 N ATOM 629 CA ASN A 46 5.413 -7.701 -0.715 1.00 0.00 C ATOM 630 C ASN A 46 6.035 -6.709 0.249 1.00 0.00 C ATOM 631 O ASN A 46 7.260 -6.784 0.475 1.00 0.00 O ATOM 632 CB ASN A 46 5.037 -6.999 -2.029 1.00 0.00 C ATOM 633 CG ASN A 46 5.172 -7.896 -3.252 1.00 0.00 C ATOM 634 OD1 ASN A 46 5.405 -7.418 -4.363 1.00 0.00 O ATOM 635 ND2 ASN A 46 5.039 -9.200 -3.065 1.00 0.00 N ATOM 636 OXT ASN A 46 5.291 -5.875 0.800 1.00 0.00 O ATOM 0 H ASN A 46 3.578 -7.657 0.288 1.00 0.00 H new ATOM 0 HA ASN A 46 6.139 -8.482 -0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.009 -6.642 -1.961 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.671 -6.122 -2.159 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.129 -9.840 -3.854 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.846 -9.564 -2.132 1.00 0.00 H new TER 643 ASN A 46