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+ -172:sc= 1.04 (180deg=0.989) USER MOD Single : A 1 THR OG1 : rot 151:sc= 0.0293 USER MOD Single : A 2 THR OG1 : rot -179:sc= 0.987 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 14 ASN : amide:sc= -1.31 K(o=-1.3,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 77:sc= 1.17 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= -5.59! C(o=-5.6!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -4.794 -2.201 8.193 1.00 0.00 N ATOM 2 CA THR A 1 -3.821 -3.105 7.549 1.00 0.00 C ATOM 3 C THR A 1 -3.730 -2.805 6.060 1.00 0.00 C ATOM 4 O THR A 1 -4.734 -2.808 5.349 1.00 0.00 O ATOM 5 CB THR A 1 -4.229 -4.571 7.749 1.00 0.00 C ATOM 6 OG1 THR A 1 -4.541 -4.794 9.130 1.00 0.00 O ATOM 7 CG2 THR A 1 -3.118 -5.519 7.316 1.00 0.00 C ATOM 0 H1 THR A 1 -4.749 -2.321 9.225 1.00 0.00 H new ATOM 0 H2 THR A 1 -4.567 -1.216 7.949 1.00 0.00 H new ATOM 0 H3 THR A 1 -5.752 -2.428 7.859 1.00 0.00 H new ATOM 0 HA THR A 1 -2.848 -2.941 8.012 1.00 0.00 H new ATOM 0 HB THR A 1 -5.104 -4.771 7.131 1.00 0.00 H new ATOM 0 HG1 THR A 1 -5.204 -5.512 9.204 1.00 0.00 H new ATOM 0 HG21 THR A 1 -3.438 -6.549 7.470 1.00 0.00 H new ATOM 0 HG22 THR A 1 -2.897 -5.362 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 1 -2.223 -5.325 7.907 1.00 0.00 H new ATOM 17 N THR A 2 -2.527 -2.545 5.597 1.00 0.00 N ATOM 18 CA THR A 2 -2.308 -2.176 4.212 1.00 0.00 C ATOM 19 C THR A 2 -1.460 -3.237 3.513 1.00 0.00 C ATOM 20 O THR A 2 -0.373 -3.582 3.976 1.00 0.00 O ATOM 21 CB THR A 2 -1.616 -0.803 4.124 1.00 0.00 C ATOM 22 OG1 THR A 2 -2.239 0.113 5.044 1.00 0.00 O ATOM 23 CG2 THR A 2 -1.706 -0.241 2.715 1.00 0.00 C ATOM 0 H THR A 2 -1.679 -2.582 6.162 1.00 0.00 H new ATOM 0 HA THR A 2 -3.275 -2.111 3.713 1.00 0.00 H new ATOM 0 HB THR A 2 -0.565 -0.931 4.382 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.802 0.988 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.210 0.729 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.219 -0.924 2.019 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.753 -0.124 2.436 1.00 0.00 H new ATOM 31 N CYS A 3 -1.969 -3.752 2.407 1.00 0.00 N ATOM 32 CA CYS A 3 -1.291 -4.803 1.665 1.00 0.00 C ATOM 33 C CYS A 3 -1.096 -4.377 0.215 1.00 0.00 C ATOM 34 O CYS A 3 -2.060 -4.194 -0.530 1.00 0.00 O ATOM 35 CB CYS A 3 -2.088 -6.112 1.750 1.00 0.00 C ATOM 36 SG CYS A 3 -2.325 -6.725 3.459 1.00 0.00 S ATOM 0 H CYS A 3 -2.857 -3.457 2.000 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.309 -4.974 2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.064 -5.962 1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.575 -6.877 1.168 1.00 0.00 H new ATOM 41 N CYS A 4 0.157 -4.183 -0.170 1.00 0.00 N ATOM 42 CA CYS A 4 0.480 -3.748 -1.521 1.00 0.00 C ATOM 43 C CYS A 4 0.952 -4.935 -2.358 1.00 0.00 C ATOM 44 O CYS A 4 1.459 -5.911 -1.816 1.00 0.00 O ATOM 45 CB CYS A 4 1.561 -2.662 -1.478 1.00 0.00 C ATOM 46 SG CYS A 4 1.126 -1.194 -0.478 1.00 0.00 S ATOM 0 H CYS A 4 0.967 -4.320 0.434 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.416 -3.332 -1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.479 -3.097 -1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.775 -2.341 -2.497 1.00 0.00 H new ATOM 51 N PRO A 5 0.763 -4.883 -3.686 1.00 0.00 N ATOM 52 CA PRO A 5 1.206 -5.947 -4.593 1.00 0.00 C ATOM 53 C PRO A 5 2.725 -6.012 -4.720 1.00 0.00 C ATOM 54 O PRO A 5 3.378 -6.881 -4.142 1.00 0.00 O ATOM 55 CB PRO A 5 0.584 -5.561 -5.942 1.00 0.00 C ATOM 56 CG PRO A 5 -0.424 -4.507 -5.631 1.00 0.00 C ATOM 57 CD PRO A 5 0.081 -3.807 -4.409 1.00 0.00 C ATOM 0 HA PRO A 5 0.903 -6.930 -4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.342 -5.188 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.116 -6.422 -6.419 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.532 -3.812 -6.463 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.406 -4.946 -5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.760 -2.992 -4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.731 -3.376 -3.824 1.00 0.00 H new ATOM 65 N SER A 6 3.273 -5.088 -5.493 1.00 0.00 N ATOM 66 CA SER A 6 4.711 -5.015 -5.713 1.00 0.00 C ATOM 67 C SER A 6 5.444 -4.543 -4.455 1.00 0.00 C ATOM 68 O SER A 6 4.908 -3.769 -3.657 1.00 0.00 O ATOM 69 CB SER A 6 5.015 -4.074 -6.884 1.00 0.00 C ATOM 70 OG SER A 6 6.413 -3.971 -7.116 1.00 0.00 O ATOM 0 H SER A 6 2.739 -4.371 -5.983 1.00 0.00 H new ATOM 0 HA SER A 6 5.067 -6.017 -5.953 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.521 -4.440 -7.784 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.605 -3.086 -6.675 1.00 0.00 H new ATOM 0 HG SER A 6 6.576 -3.366 -7.869 1.00 0.00 H new ATOM 76 N ILE A 7 6.676 -5.018 -4.292 1.00 0.00 N ATOM 77 CA ILE A 7 7.532 -4.600 -3.189 1.00 0.00 C ATOM 78 C ILE A 7 7.803 -3.102 -3.272 1.00 0.00 C ATOM 79 O ILE A 7 7.748 -2.386 -2.269 1.00 0.00 O ATOM 80 CB ILE A 7 8.883 -5.352 -3.220 1.00 0.00 C ATOM 81 CG1 ILE A 7 8.657 -6.866 -3.299 1.00 0.00 C ATOM 82 CG2 ILE A 7 9.724 -5.002 -1.999 1.00 0.00 C ATOM 83 CD1 ILE A 7 9.933 -7.665 -3.457 1.00 0.00 C ATOM 0 H ILE A 7 7.106 -5.699 -4.918 1.00 0.00 H new ATOM 0 HA ILE A 7 7.013 -4.834 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 7 9.426 -5.037 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.142 -7.195 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.997 -7.082 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.670 -5.542 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.919 -3.930 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.186 -5.283 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.693 -8.727 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.439 -7.365 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.587 -7.479 -2.605 1.00 0.00 H new ATOM 95 N VAL A 8 8.075 -2.636 -4.486 1.00 0.00 N ATOM 96 CA VAL A 8 8.382 -1.232 -4.728 1.00 0.00 C ATOM 97 C VAL A 8 7.160 -0.361 -4.452 1.00 0.00 C ATOM 98 O VAL A 8 7.285 0.794 -4.041 1.00 0.00 O ATOM 99 CB VAL A 8 8.865 -1.009 -6.178 1.00 0.00 C ATOM 100 CG1 VAL A 8 9.266 0.443 -6.408 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.025 -1.939 -6.499 1.00 0.00 C ATOM 0 H VAL A 8 8.089 -3.217 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 8 9.185 -0.947 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 8 8.036 -1.238 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.602 0.569 -7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.409 1.091 -6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.075 0.709 -5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.354 -1.770 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.850 -1.740 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.703 -2.974 -6.388 1.00 0.00 H new ATOM 111 N ALA A 9 5.977 -0.934 -4.653 1.00 0.00 N ATOM 112 CA ALA A 9 4.732 -0.230 -4.386 1.00 0.00 C ATOM 113 C ALA A 9 4.649 0.159 -2.914 1.00 0.00 C ATOM 114 O ALA A 9 4.248 1.274 -2.581 1.00 0.00 O ATOM 115 CB ALA A 9 3.537 -1.082 -4.783 1.00 0.00 C ATOM 0 H ALA A 9 5.857 -1.885 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 9 4.714 0.680 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.616 -0.537 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.591 -1.311 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.546 -2.010 -4.212 1.00 0.00 H new ATOM 121 N ARG A 10 5.054 -0.754 -2.033 1.00 0.00 N ATOM 122 CA ARG A 10 5.070 -0.467 -0.604 1.00 0.00 C ATOM 123 C ARG A 10 6.091 0.622 -0.289 1.00 0.00 C ATOM 124 O ARG A 10 5.827 1.518 0.511 1.00 0.00 O ATOM 125 CB ARG A 10 5.384 -1.718 0.220 1.00 0.00 C ATOM 126 CG ARG A 10 5.483 -1.426 1.714 1.00 0.00 C ATOM 127 CD ARG A 10 5.708 -2.679 2.546 1.00 0.00 C ATOM 128 NE ARG A 10 4.458 -3.368 2.861 1.00 0.00 N ATOM 129 CZ ARG A 10 3.975 -3.508 4.095 1.00 0.00 C ATOM 130 NH1 ARG A 10 4.650 -3.029 5.134 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.827 -4.147 4.290 1.00 0.00 N ATOM 0 H ARG A 10 5.372 -1.690 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 10 4.073 -0.120 -0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.608 -2.465 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.323 -2.150 -0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.301 -0.727 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.568 -0.935 2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.368 -3.358 2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.216 -2.411 3.472 1.00 0.00 H new ATOM 0 HE ARG A 10 3.923 -3.766 2.089 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.540 -2.553 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.278 -3.137 6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.315 -4.530 3.495 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.457 -4.254 5.234 1.00 0.00 H new ATOM 145 N SER A 11 7.248 0.545 -0.934 1.00 0.00 N ATOM 146 CA SER A 11 8.304 1.527 -0.737 1.00 0.00 C ATOM 147 C SER A 11 7.800 2.930 -1.066 1.00 0.00 C ATOM 148 O SER A 11 7.966 3.860 -0.274 1.00 0.00 O ATOM 149 CB SER A 11 9.511 1.179 -1.608 1.00 0.00 C ATOM 150 OG SER A 11 9.883 -0.181 -1.445 1.00 0.00 O ATOM 0 H SER A 11 7.479 -0.191 -1.601 1.00 0.00 H new ATOM 0 HA SER A 11 8.607 1.508 0.310 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.276 1.372 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.350 1.823 -1.346 1.00 0.00 H new ATOM 0 HG SER A 11 10.656 -0.379 -2.014 1.00 0.00 H new ATOM 156 N ASN A 12 7.156 3.066 -2.224 1.00 0.00 N ATOM 157 CA ASN A 12 6.592 4.348 -2.651 1.00 0.00 C ATOM 158 C ASN A 12 5.488 4.785 -1.699 1.00 0.00 C ATOM 159 O ASN A 12 5.350 5.968 -1.385 1.00 0.00 O ATOM 160 CB ASN A 12 6.041 4.255 -4.080 1.00 0.00 C ATOM 161 CG ASN A 12 7.113 3.914 -5.100 1.00 0.00 C ATOM 162 OD1 ASN A 12 8.285 4.242 -4.923 1.00 0.00 O ATOM 163 ND2 ASN A 12 6.719 3.253 -6.180 1.00 0.00 N ATOM 0 H ASN A 12 7.011 2.303 -2.885 1.00 0.00 H new ATOM 0 HA ASN A 12 7.391 5.089 -2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.258 3.497 -4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.578 5.204 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.397 3.000 -6.899 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.738 2.998 -6.292 1.00 0.00 H new ATOM 170 N PHE A 13 4.717 3.814 -1.228 1.00 0.00 N ATOM 171 CA PHE A 13 3.656 4.063 -0.264 1.00 0.00 C ATOM 172 C PHE A 13 4.240 4.626 1.037 1.00 0.00 C ATOM 173 O PHE A 13 3.671 5.528 1.651 1.00 0.00 O ATOM 174 CB PHE A 13 2.892 2.761 0.001 1.00 0.00 C ATOM 175 CG PHE A 13 1.708 2.913 0.908 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.516 3.425 0.425 1.00 0.00 C ATOM 177 CD2 PHE A 13 1.785 2.536 2.239 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.578 3.561 1.256 1.00 0.00 C ATOM 179 CE2 PHE A 13 0.694 2.668 3.073 1.00 0.00 C ATOM 180 CZ PHE A 13 -0.487 3.181 2.581 1.00 0.00 C ATOM 0 H PHE A 13 4.809 2.836 -1.503 1.00 0.00 H new ATOM 0 HA PHE A 13 2.965 4.802 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.555 2.351 -0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.577 2.034 0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.441 3.721 -0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.709 2.134 2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.503 3.964 0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.765 2.370 4.109 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.342 3.286 3.232 1.00 0.00 H new ATOM 190 N ASN A 14 5.397 4.102 1.431 1.00 0.00 N ATOM 191 CA ASN A 14 6.084 4.571 2.633 1.00 0.00 C ATOM 192 C ASN A 14 6.663 5.963 2.413 1.00 0.00 C ATOM 193 O ASN A 14 6.735 6.769 3.341 1.00 0.00 O ATOM 194 CB ASN A 14 7.195 3.600 3.050 1.00 0.00 C ATOM 195 CG ASN A 14 6.675 2.364 3.770 1.00 0.00 C ATOM 196 OD1 ASN A 14 7.359 1.800 4.622 1.00 0.00 O ATOM 197 ND2 ASN A 14 5.472 1.923 3.431 1.00 0.00 N ATOM 0 H ASN A 14 5.880 3.352 0.936 1.00 0.00 H new ATOM 0 HA ASN A 14 5.350 4.618 3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.748 3.290 2.164 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.899 4.121 3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.088 1.092 3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.930 2.414 2.720 1.00 0.00 H new ATOM 204 N VAL A 15 7.071 6.241 1.178 1.00 0.00 N ATOM 205 CA VAL A 15 7.564 7.567 0.811 1.00 0.00 C ATOM 206 C VAL A 15 6.431 8.590 0.884 1.00 0.00 C ATOM 207 O VAL A 15 6.641 9.745 1.252 1.00 0.00 O ATOM 208 CB VAL A 15 8.187 7.577 -0.609 1.00 0.00 C ATOM 209 CG1 VAL A 15 8.632 8.983 -1.000 1.00 0.00 C ATOM 210 CG2 VAL A 15 9.364 6.613 -0.688 1.00 0.00 C ATOM 0 H VAL A 15 7.070 5.566 0.413 1.00 0.00 H new ATOM 0 HA VAL A 15 8.345 7.834 1.523 1.00 0.00 H new ATOM 0 HB VAL A 15 7.421 7.250 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.065 8.963 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.772 9.653 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.377 9.340 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.786 6.636 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.126 6.909 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.023 5.603 -0.461 1.00 0.00 H new ATOM 220 N CYS A 16 5.229 8.156 0.536 1.00 0.00 N ATOM 221 CA CYS A 16 4.045 8.996 0.644 1.00 0.00 C ATOM 222 C CYS A 16 3.787 9.405 2.093 1.00 0.00 C ATOM 223 O CYS A 16 3.541 10.574 2.391 1.00 0.00 O ATOM 224 CB CYS A 16 2.832 8.254 0.098 1.00 0.00 C ATOM 225 SG CYS A 16 1.244 9.018 0.544 1.00 0.00 S ATOM 0 H CYS A 16 5.047 7.220 0.174 1.00 0.00 H new ATOM 0 HA CYS A 16 4.217 9.899 0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.908 8.203 -0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.848 7.229 0.468 1.00 0.00 H new ATOM 230 N ARG A 17 3.872 8.439 2.995 1.00 0.00 N ATOM 231 CA ARG A 17 3.579 8.681 4.399 1.00 0.00 C ATOM 232 C ARG A 17 4.800 9.217 5.140 1.00 0.00 C ATOM 233 O ARG A 17 4.801 9.306 6.366 1.00 0.00 O ATOM 234 CB ARG A 17 3.069 7.398 5.055 1.00 0.00 C ATOM 235 CG ARG A 17 1.651 7.042 4.644 1.00 0.00 C ATOM 236 CD ARG A 17 1.236 5.674 5.160 1.00 0.00 C ATOM 237 NE ARG A 17 1.472 5.522 6.597 1.00 0.00 N ATOM 238 CZ ARG A 17 1.253 4.396 7.279 1.00 0.00 C ATOM 239 NH1 ARG A 17 0.806 3.310 6.661 1.00 0.00 N ATOM 240 NH2 ARG A 17 1.482 4.360 8.584 1.00 0.00 N ATOM 0 H ARG A 17 4.142 7.479 2.779 1.00 0.00 H new ATOM 0 HA ARG A 17 2.801 9.443 4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.734 6.575 4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.110 7.510 6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.963 7.797 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.574 7.058 3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.178 5.515 4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.787 4.903 4.621 1.00 0.00 H new ATOM 0 HE ARG A 17 1.827 6.329 7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.627 3.332 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.641 2.454 7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.825 5.192 9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.315 3.501 9.108 1.00 0.00 H new ATOM 254 N LEU A 18 5.835 9.577 4.393 1.00 0.00 N ATOM 255 CA LEU A 18 7.032 10.153 4.986 1.00 0.00 C ATOM 256 C LEU A 18 6.781 11.620 5.372 1.00 0.00 C ATOM 257 O LEU A 18 6.951 11.981 6.534 1.00 0.00 O ATOM 258 CB LEU A 18 8.233 10.004 4.032 1.00 0.00 C ATOM 259 CG LEU A 18 9.622 10.201 4.655 1.00 0.00 C ATOM 260 CD1 LEU A 18 10.686 9.613 3.743 1.00 0.00 C ATOM 261 CD2 LEU A 18 9.917 11.676 4.902 1.00 0.00 C ATOM 0 H LEU A 18 5.869 9.480 3.378 1.00 0.00 H new ATOM 0 HA LEU A 18 7.275 9.610 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.195 9.010 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.117 10.722 3.220 1.00 0.00 H new ATOM 0 HG LEU A 18 9.635 9.686 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.669 9.756 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.501 8.547 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.652 10.113 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.908 11.780 5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.882 12.217 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.172 12.087 5.583 1.00 0.00 H new ATOM 273 N PRO A 19 6.370 12.496 4.425 1.00 0.00 N ATOM 274 CA PRO A 19 6.025 13.879 4.764 1.00 0.00 C ATOM 275 C PRO A 19 4.735 13.955 5.582 1.00 0.00 C ATOM 276 O PRO A 19 4.700 14.569 6.649 1.00 0.00 O ATOM 277 CB PRO A 19 5.849 14.559 3.404 1.00 0.00 C ATOM 278 CG PRO A 19 5.526 13.455 2.455 1.00 0.00 C ATOM 279 CD PRO A 19 6.233 12.235 2.975 1.00 0.00 C ATOM 0 HA PRO A 19 6.788 14.354 5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.049 15.299 3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.757 15.083 3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.450 13.289 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.860 13.698 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.659 11.328 2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.205 12.103 2.499 1.00 0.00 H new ATOM 287 N GLY A 20 3.686 13.311 5.085 1.00 0.00 N ATOM 288 CA GLY A 20 2.418 13.304 5.787 1.00 0.00 C ATOM 289 C GLY A 20 1.236 13.274 4.839 1.00 0.00 C ATOM 290 O GLY A 20 0.359 14.139 4.894 1.00 0.00 O ATOM 0 H GLY A 20 3.692 12.793 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.375 12.437 6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.351 14.189 6.420 1.00 0.00 H new ATOM 294 N THR A 21 1.219 12.288 3.957 1.00 0.00 N ATOM 295 CA THR A 21 0.136 12.131 3.000 1.00 0.00 C ATOM 296 C THR A 21 -0.680 10.877 3.337 1.00 0.00 C ATOM 297 O THR A 21 -0.109 9.832 3.650 1.00 0.00 O ATOM 298 CB THR A 21 0.689 12.041 1.560 1.00 0.00 C ATOM 299 OG1 THR A 21 1.676 13.064 1.358 1.00 0.00 O ATOM 300 CG2 THR A 21 -0.421 12.208 0.532 1.00 0.00 C ATOM 0 H THR A 21 1.949 11.579 3.884 1.00 0.00 H new ATOM 0 HA THR A 21 -0.513 13.004 3.061 1.00 0.00 H new ATOM 0 HB THR A 21 1.136 11.056 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.027 13.004 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.001 12.140 -0.471 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.164 11.422 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.894 13.181 0.662 1.00 0.00 H new ATOM 308 N PRO A 22 -2.025 10.983 3.322 1.00 0.00 N ATOM 309 CA PRO A 22 -2.923 9.877 3.688 1.00 0.00 C ATOM 310 C PRO A 22 -2.689 8.607 2.873 1.00 0.00 C ATOM 311 O PRO A 22 -2.406 8.659 1.673 1.00 0.00 O ATOM 312 CB PRO A 22 -4.322 10.435 3.402 1.00 0.00 C ATOM 313 CG PRO A 22 -4.160 11.911 3.474 1.00 0.00 C ATOM 314 CD PRO A 22 -2.775 12.200 2.971 1.00 0.00 C ATOM 0 HA PRO A 22 -2.764 9.574 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.680 10.123 2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.048 10.080 4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.910 12.416 2.865 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.286 12.268 4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.767 12.381 1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.351 13.085 3.446 1.00 0.00 H new ATOM 322 N GLU A 23 -2.833 7.469 3.545 1.00 0.00 N ATOM 323 CA GLU A 23 -2.652 6.158 2.931 1.00 0.00 C ATOM 324 C GLU A 23 -3.548 5.978 1.710 1.00 0.00 C ATOM 325 O GLU A 23 -3.061 5.736 0.613 1.00 0.00 O ATOM 326 CB GLU A 23 -2.974 5.050 3.933 1.00 0.00 C ATOM 327 CG GLU A 23 -2.052 5.000 5.133 1.00 0.00 C ATOM 328 CD GLU A 23 -2.325 3.794 6.003 1.00 0.00 C ATOM 329 OE1 GLU A 23 -1.812 2.700 5.689 1.00 0.00 O ATOM 330 OE2 GLU A 23 -3.055 3.934 7.001 1.00 0.00 O ATOM 0 H GLU A 23 -3.079 7.430 4.534 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.609 6.095 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.998 5.181 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.933 4.090 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.016 4.977 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.174 5.908 5.723 1.00 0.00 H new ATOM 337 N ALA A 24 -4.859 6.110 1.915 1.00 0.00 N ATOM 338 CA ALA A 24 -5.850 5.841 0.872 1.00 0.00 C ATOM 339 C ALA A 24 -5.577 6.656 -0.386 1.00 0.00 C ATOM 340 O ALA A 24 -5.750 6.168 -1.506 1.00 0.00 O ATOM 341 CB ALA A 24 -7.251 6.128 1.393 1.00 0.00 C ATOM 0 H ALA A 24 -5.263 6.405 2.804 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.775 4.787 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.980 5.924 0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.457 5.491 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.321 7.174 1.691 1.00 0.00 H new ATOM 347 N LEU A 25 -5.140 7.891 -0.190 1.00 0.00 N ATOM 348 CA LEU A 25 -4.793 8.773 -1.288 1.00 0.00 C ATOM 349 C LEU A 25 -3.729 8.118 -2.164 1.00 0.00 C ATOM 350 O LEU A 25 -3.896 7.980 -3.377 1.00 0.00 O ATOM 351 CB LEU A 25 -4.273 10.099 -0.723 1.00 0.00 C ATOM 352 CG LEU A 25 -4.535 11.343 -1.574 1.00 0.00 C ATOM 353 CD1 LEU A 25 -4.110 12.591 -0.821 1.00 0.00 C ATOM 354 CD2 LEU A 25 -3.812 11.267 -2.910 1.00 0.00 C ATOM 0 H LEU A 25 -5.017 8.307 0.733 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.676 8.963 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.723 10.254 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.198 10.008 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.605 11.391 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.301 13.470 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.677 12.667 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.046 12.533 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.021 12.167 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.739 11.186 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.158 10.393 -3.462 1.00 0.00 H new ATOM 366 N CYS A 26 -2.650 7.688 -1.532 1.00 0.00 N ATOM 367 CA CYS A 26 -1.520 7.132 -2.252 1.00 0.00 C ATOM 368 C CYS A 26 -1.741 5.669 -2.616 1.00 0.00 C ATOM 369 O CYS A 26 -1.168 5.177 -3.585 1.00 0.00 O ATOM 370 CB CYS A 26 -0.256 7.299 -1.419 1.00 0.00 C ATOM 371 SG CYS A 26 0.227 9.038 -1.203 1.00 0.00 S ATOM 0 H CYS A 26 -2.534 7.714 -0.519 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.410 7.677 -3.190 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.410 6.846 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.561 6.757 -1.896 1.00 0.00 H new ATOM 376 N ALA A 27 -2.575 4.979 -1.854 1.00 0.00 N ATOM 377 CA ALA A 27 -2.896 3.589 -2.142 1.00 0.00 C ATOM 378 C ALA A 27 -3.634 3.481 -3.467 1.00 0.00 C ATOM 379 O ALA A 27 -3.353 2.600 -4.277 1.00 0.00 O ATOM 380 CB ALA A 27 -3.727 2.992 -1.016 1.00 0.00 C ATOM 0 H ALA A 27 -3.042 5.359 -1.031 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.966 3.025 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.959 1.952 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.164 3.040 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.654 3.555 -0.910 1.00 0.00 H new ATOM 386 N THR A 28 -4.554 4.405 -3.692 1.00 0.00 N ATOM 387 CA THR A 28 -5.330 4.438 -4.924 1.00 0.00 C ATOM 388 C THR A 28 -4.469 4.912 -6.099 1.00 0.00 C ATOM 389 O THR A 28 -4.720 4.564 -7.253 1.00 0.00 O ATOM 390 CB THR A 28 -6.549 5.374 -4.768 1.00 0.00 C ATOM 391 OG1 THR A 28 -7.230 5.079 -3.538 1.00 0.00 O ATOM 392 CG2 THR A 28 -7.518 5.220 -5.935 1.00 0.00 C ATOM 0 H THR A 28 -4.784 5.148 -3.032 1.00 0.00 H new ATOM 0 HA THR A 28 -5.677 3.425 -5.128 1.00 0.00 H new ATOM 0 HB THR A 28 -6.188 6.402 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.725 5.454 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.365 5.892 -5.796 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.008 5.467 -6.866 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.875 4.191 -5.979 1.00 0.00 H new ATOM 400 N TYR A 29 -3.438 5.692 -5.797 1.00 0.00 N ATOM 401 CA TYR A 29 -2.602 6.287 -6.833 1.00 0.00 C ATOM 402 C TYR A 29 -1.437 5.374 -7.216 1.00 0.00 C ATOM 403 O TYR A 29 -0.973 5.385 -8.355 1.00 0.00 O ATOM 404 CB TYR A 29 -2.066 7.631 -6.343 1.00 0.00 C ATOM 405 CG TYR A 29 -2.205 8.750 -7.350 1.00 0.00 C ATOM 406 CD1 TYR A 29 -3.389 9.468 -7.449 1.00 0.00 C ATOM 407 CD2 TYR A 29 -1.157 9.089 -8.194 1.00 0.00 C ATOM 408 CE1 TYR A 29 -3.525 10.494 -8.364 1.00 0.00 C ATOM 409 CE2 TYR A 29 -1.285 10.117 -9.110 1.00 0.00 C ATOM 410 CZ TYR A 29 -2.472 10.816 -9.191 1.00 0.00 C ATOM 411 OH TYR A 29 -2.605 11.843 -10.099 1.00 0.00 O ATOM 0 H TYR A 29 -3.161 5.927 -4.844 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.216 6.430 -7.722 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.592 7.910 -5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.014 7.518 -6.083 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.217 9.221 -6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.228 8.542 -8.135 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.454 11.041 -8.431 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.460 10.372 -9.759 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.771 11.943 -10.605 1.00 0.00 H new ATOM 421 N THR A 30 -0.966 4.590 -6.258 1.00 0.00 N ATOM 422 CA THR A 30 0.208 3.752 -6.465 1.00 0.00 C ATOM 423 C THR A 30 -0.182 2.289 -6.690 1.00 0.00 C ATOM 424 O THR A 30 0.579 1.516 -7.277 1.00 0.00 O ATOM 425 CB THR A 30 1.158 3.854 -5.255 1.00 0.00 C ATOM 426 OG1 THR A 30 1.253 5.221 -4.830 1.00 0.00 O ATOM 427 CG2 THR A 30 2.546 3.341 -5.601 1.00 0.00 C ATOM 0 H THR A 30 -1.379 4.516 -5.328 1.00 0.00 H new ATOM 0 HA THR A 30 0.717 4.112 -7.359 1.00 0.00 H new ATOM 0 HB THR A 30 0.751 3.239 -4.453 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.447 5.464 -4.328 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.193 3.426 -4.728 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.482 2.296 -5.906 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.959 3.933 -6.418 1.00 0.00 H new ATOM 435 N GLY A 31 -1.370 1.919 -6.231 1.00 0.00 N ATOM 436 CA GLY A 31 -1.812 0.545 -6.353 1.00 0.00 C ATOM 437 C GLY A 31 -1.562 -0.244 -5.086 1.00 0.00 C ATOM 438 O GLY A 31 -0.531 -0.899 -4.949 1.00 0.00 O ATOM 0 H GLY A 31 -2.035 2.545 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.876 0.526 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.293 0.069 -7.185 1.00 0.00 H new ATOM 442 N CYS A 32 -2.492 -0.150 -4.145 1.00 0.00 N ATOM 443 CA CYS A 32 -2.389 -0.864 -2.881 1.00 0.00 C ATOM 444 C CYS A 32 -3.748 -0.860 -2.183 1.00 0.00 C ATOM 445 O CYS A 32 -4.568 0.027 -2.432 1.00 0.00 O ATOM 446 CB CYS A 32 -1.321 -0.208 -1.996 1.00 0.00 C ATOM 447 SG CYS A 32 -0.906 -1.143 -0.490 1.00 0.00 S ATOM 0 H CYS A 32 -3.333 0.419 -4.236 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.093 -1.896 -3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.414 -0.072 -2.585 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.666 0.785 -1.708 1.00 0.00 H new ATOM 452 N ILE A 33 -4.000 -1.848 -1.330 1.00 0.00 N ATOM 453 CA ILE A 33 -5.299 -1.958 -0.675 1.00 0.00 C ATOM 454 C ILE A 33 -5.175 -1.818 0.837 1.00 0.00 C ATOM 455 O ILE A 33 -4.215 -2.300 1.444 1.00 0.00 O ATOM 456 CB ILE A 33 -6.011 -3.292 -1.001 1.00 0.00 C ATOM 457 CG1 ILE A 33 -5.161 -4.488 -0.558 1.00 0.00 C ATOM 458 CG2 ILE A 33 -6.323 -3.375 -2.487 1.00 0.00 C ATOM 459 CD1 ILE A 33 -5.853 -5.826 -0.717 1.00 0.00 C ATOM 0 H ILE A 33 -3.331 -2.576 -1.078 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.902 -1.139 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.950 -3.324 -0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.236 -4.498 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.883 -4.356 0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.824 -4.319 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.973 -2.547 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.396 -3.319 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.188 -6.622 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.763 -5.838 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.107 -5.982 -1.765 1.00 0.00 H new ATOM 471 N ILE A 34 -6.149 -1.144 1.432 1.00 0.00 N ATOM 472 CA ILE A 34 -6.213 -0.979 2.876 1.00 0.00 C ATOM 473 C ILE A 34 -7.445 -1.686 3.422 1.00 0.00 C ATOM 474 O ILE A 34 -8.571 -1.393 3.015 1.00 0.00 O ATOM 475 CB ILE A 34 -6.274 0.509 3.274 1.00 0.00 C ATOM 476 CG1 ILE A 34 -5.110 1.272 2.648 1.00 0.00 C ATOM 477 CG2 ILE A 34 -6.256 0.657 4.788 1.00 0.00 C ATOM 478 CD1 ILE A 34 -5.234 2.769 2.790 1.00 0.00 C ATOM 0 H ILE A 34 -6.915 -0.697 0.928 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.307 -1.415 3.298 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.207 0.931 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.179 0.946 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.045 1.018 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.300 1.714 5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.116 0.141 5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.339 0.222 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.375 3.251 2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.148 3.106 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.269 3.033 3.847 1.00 0.00 H new ATOM 490 N ILE A 35 -7.231 -2.621 4.328 1.00 0.00 N ATOM 491 CA ILE A 35 -8.321 -3.383 4.914 1.00 0.00 C ATOM 492 C ILE A 35 -8.198 -3.422 6.433 1.00 0.00 C ATOM 493 O ILE A 35 -7.098 -3.305 6.976 1.00 0.00 O ATOM 494 CB ILE A 35 -8.360 -4.834 4.381 1.00 0.00 C ATOM 495 CG1 ILE A 35 -7.020 -5.536 4.635 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.706 -4.851 2.898 1.00 0.00 C ATOM 497 CD1 ILE A 35 -7.018 -6.997 4.251 1.00 0.00 C ATOM 0 H ILE A 35 -6.306 -2.873 4.677 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.244 -2.879 4.629 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.138 -5.378 4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.239 -5.021 4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.768 -5.447 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.729 -5.881 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.684 -4.393 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.954 -4.291 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.038 -7.426 4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.776 -7.526 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.239 -7.094 3.188 1.00 0.00 H new ATOM 509 N PRO A 36 -9.327 -3.567 7.138 1.00 0.00 N ATOM 510 CA PRO A 36 -9.337 -3.743 8.586 1.00 0.00 C ATOM 511 C PRO A 36 -9.222 -5.215 8.981 1.00 0.00 C ATOM 512 O PRO A 36 -9.393 -5.574 10.147 1.00 0.00 O ATOM 513 CB PRO A 36 -10.702 -3.185 8.978 1.00 0.00 C ATOM 514 CG PRO A 36 -11.584 -3.477 7.809 1.00 0.00 C ATOM 515 CD PRO A 36 -10.694 -3.535 6.586 1.00 0.00 C ATOM 0 HA PRO A 36 -8.498 -3.251 9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.077 -3.659 9.885 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.650 -2.114 9.176 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.109 -4.422 7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.344 -2.704 7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.901 -4.419 5.983 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.844 -2.668 5.942 1.00 0.00 H new ATOM 523 N GLY A 37 -8.930 -6.056 7.994 1.00 0.00 N ATOM 524 CA GLY A 37 -8.822 -7.484 8.229 1.00 0.00 C ATOM 525 C GLY A 37 -7.445 -7.890 8.700 1.00 0.00 C ATOM 526 O GLY A 37 -6.799 -7.164 9.456 1.00 0.00 O ATOM 0 H GLY A 37 -8.765 -5.771 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.560 -7.783 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.061 -8.019 7.310 1.00 0.00 H new ATOM 530 N ALA A 38 -6.986 -9.046 8.248 1.00 0.00 N ATOM 531 CA ALA A 38 -5.698 -9.568 8.678 1.00 0.00 C ATOM 532 C ALA A 38 -5.049 -10.437 7.607 1.00 0.00 C ATOM 533 O ALA A 38 -3.850 -10.331 7.354 1.00 0.00 O ATOM 534 CB ALA A 38 -5.860 -10.365 9.966 1.00 0.00 C ATOM 0 H ALA A 38 -7.484 -9.640 7.585 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.042 -8.716 8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.890 -10.751 10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.262 -9.718 10.746 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.544 -11.196 9.796 1.00 0.00 H new ATOM 540 N THR A 39 -5.840 -11.288 6.977 1.00 0.00 N ATOM 541 CA THR A 39 -5.304 -12.266 6.048 1.00 0.00 C ATOM 542 C THR A 39 -5.154 -11.695 4.639 1.00 0.00 C ATOM 543 O THR A 39 -6.133 -11.544 3.905 1.00 0.00 O ATOM 544 CB THR A 39 -6.195 -13.522 6.007 1.00 0.00 C ATOM 545 OG1 THR A 39 -6.439 -13.977 7.344 1.00 0.00 O ATOM 546 CG2 THR A 39 -5.531 -14.635 5.209 1.00 0.00 C ATOM 0 H THR A 39 -6.853 -11.321 7.092 1.00 0.00 H new ATOM 0 HA THR A 39 -4.312 -12.537 6.409 1.00 0.00 H new ATOM 0 HB THR A 39 -7.136 -13.262 5.522 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.007 -14.775 7.319 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.180 -15.510 5.195 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.357 -14.296 4.188 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.579 -14.897 5.672 1.00 0.00 H new ATOM 554 N CYS A 40 -3.927 -11.350 4.284 1.00 0.00 N ATOM 555 CA CYS A 40 -3.594 -10.981 2.916 1.00 0.00 C ATOM 556 C CYS A 40 -2.774 -12.100 2.276 1.00 0.00 C ATOM 557 O CYS A 40 -1.691 -12.430 2.762 1.00 0.00 O ATOM 558 CB CYS A 40 -2.799 -9.668 2.870 1.00 0.00 C ATOM 559 SG CYS A 40 -3.747 -8.173 3.305 1.00 0.00 S ATOM 0 H CYS A 40 -3.138 -11.318 4.930 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.522 -10.834 2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.950 -9.751 3.549 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.393 -9.542 1.866 1.00 0.00 H new ATOM 564 N PRO A 41 -3.291 -12.720 1.203 1.00 0.00 N ATOM 565 CA PRO A 41 -2.569 -13.768 0.471 1.00 0.00 C ATOM 566 C PRO A 41 -1.258 -13.243 -0.106 1.00 0.00 C ATOM 567 O PRO A 41 -1.189 -12.097 -0.552 1.00 0.00 O ATOM 568 CB PRO A 41 -3.529 -14.162 -0.657 1.00 0.00 C ATOM 569 CG PRO A 41 -4.868 -13.676 -0.220 1.00 0.00 C ATOM 570 CD PRO A 41 -4.616 -12.458 0.622 1.00 0.00 C ATOM 0 HA PRO A 41 -2.299 -14.605 1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.234 -13.706 -1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.533 -15.241 -0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.494 -13.433 -1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.393 -14.442 0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.620 -11.547 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.377 -12.337 1.393 1.00 0.00 H new ATOM 578 N GLY A 42 -0.230 -14.089 -0.119 1.00 0.00 N ATOM 579 CA GLY A 42 1.089 -13.672 -0.578 1.00 0.00 C ATOM 580 C GLY A 42 1.099 -13.240 -2.033 1.00 0.00 C ATOM 581 O GLY A 42 2.068 -12.649 -2.509 1.00 0.00 O ATOM 0 H GLY A 42 -0.286 -15.062 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.440 -12.848 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.792 -14.494 -0.444 1.00 0.00 H new ATOM 585 N ASP A 43 0.016 -13.541 -2.737 1.00 0.00 N ATOM 586 CA ASP A 43 -0.138 -13.145 -4.133 1.00 0.00 C ATOM 587 C ASP A 43 -0.284 -11.635 -4.252 1.00 0.00 C ATOM 588 O ASP A 43 0.022 -11.050 -5.290 1.00 0.00 O ATOM 589 CB ASP A 43 -1.380 -13.805 -4.743 1.00 0.00 C ATOM 590 CG ASP A 43 -1.415 -15.301 -4.538 1.00 0.00 C ATOM 591 OD1 ASP A 43 -1.719 -15.742 -3.407 1.00 0.00 O ATOM 592 OD2 ASP A 43 -1.158 -16.046 -5.500 1.00 0.00 O ATOM 0 H ASP A 43 -0.776 -14.063 -2.361 1.00 0.00 H new ATOM 0 HA ASP A 43 0.754 -13.469 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.273 -13.363 -4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.412 -13.589 -5.811 1.00 0.00 H new ATOM 597 N TYR A 44 -0.754 -11.006 -3.182 1.00 0.00 N ATOM 598 CA TYR A 44 -1.069 -9.584 -3.216 1.00 0.00 C ATOM 599 C TYR A 44 -0.695 -8.916 -1.896 1.00 0.00 C ATOM 600 O TYR A 44 -1.220 -7.858 -1.556 1.00 0.00 O ATOM 601 CB TYR A 44 -2.566 -9.409 -3.482 1.00 0.00 C ATOM 602 CG TYR A 44 -2.920 -8.140 -4.225 1.00 0.00 C ATOM 603 CD1 TYR A 44 -2.657 -8.020 -5.582 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.524 -7.070 -3.578 1.00 0.00 C ATOM 605 CE1 TYR A 44 -2.983 -6.871 -6.273 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.856 -5.918 -4.263 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.583 -5.824 -5.610 1.00 0.00 C ATOM 608 OH TYR A 44 -3.916 -4.682 -6.303 1.00 0.00 O ATOM 0 H TYR A 44 -0.925 -11.457 -2.283 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.493 -9.112 -4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.924 -10.264 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -3.096 -9.419 -2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.189 -8.840 -6.106 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.738 -7.140 -2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.769 -6.793 -7.329 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.327 -5.095 -3.746 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.332 -4.038 -5.692 1.00 0.00 H new ATOM 618 N ALA A 45 0.223 -9.526 -1.162 1.00 0.00 N ATOM 619 CA ALA A 45 0.582 -9.017 0.152 1.00 0.00 C ATOM 620 C ALA A 45 2.076 -8.781 0.283 1.00 0.00 C ATOM 621 O ALA A 45 2.832 -9.695 0.618 1.00 0.00 O ATOM 622 CB ALA A 45 0.118 -9.969 1.236 1.00 0.00 C ATOM 0 H ALA A 45 0.728 -10.364 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 45 0.079 -8.057 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.395 -9.572 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.965 -10.080 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.590 -10.941 1.093 1.00 0.00 H new ATOM 628 N ASN A 46 2.500 -7.570 -0.009 1.00 0.00 N ATOM 629 CA ASN A 46 3.851 -7.147 0.291 1.00 0.00 C ATOM 630 C ASN A 46 3.812 -6.153 1.431 1.00 0.00 C ATOM 631 O ASN A 46 4.343 -6.473 2.514 1.00 0.00 O ATOM 632 CB ASN A 46 4.540 -6.529 -0.922 1.00 0.00 C ATOM 633 CG ASN A 46 5.960 -6.116 -0.596 1.00 0.00 C ATOM 634 OD1 ASN A 46 6.232 -4.960 -0.269 1.00 0.00 O ATOM 635 ND2 ASN A 46 6.872 -7.068 -0.664 1.00 0.00 N ATOM 636 OXT ASN A 46 3.199 -5.077 1.261 1.00 0.00 O ATOM 0 H ASN A 46 1.924 -6.857 -0.457 1.00 0.00 H new ATOM 0 HA ASN A 46 4.431 -8.025 0.575 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.547 -7.245 -1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.975 -5.661 -1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.845 -6.859 -0.441 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.604 -8.013 -0.939 1.00 0.00 H new TER 643 ASN A 46