USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 247 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 NoAdj-H: A 1 THR H1 : A 1 THR N : A 37 PRO C :(NH2R) USER MOD NoAdj-H: A 1 THR H2 : A 1 THR N : A 37 PRO C :(NH2R) USER MOD Single : A 1 THR N :NH3+ 121:sc= 0.352 (180deg=-0.181) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00205 USER MOD Single : A 6 THR OG1 : rot 34:sc= 0.24 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 150:sc= 0 USER MOD Single : A 22 THR OG1 : rot 43:sc= 0.00427 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -126:sc= 0.557 (180deg=0.12) USER MOD Single : A 34 ASN : amide:sc= 1.39 K(o=1.4,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.484 7.221 -0.817 1.00 0.00 N ATOM 2 CA THR A 1 4.723 7.426 -2.005 1.00 0.00 C ATOM 3 C THR A 1 4.248 6.052 -2.418 1.00 0.00 C ATOM 4 O THR A 1 4.607 5.069 -1.774 1.00 0.00 O ATOM 5 CB THR A 1 5.556 8.091 -3.125 1.00 0.00 C ATOM 6 OG1 THR A 1 4.703 8.464 -4.216 1.00 0.00 O ATOM 7 CG2 THR A 1 6.653 7.163 -3.632 1.00 0.00 C ATOM 0 H3 THR A 1 6.454 7.566 -0.962 1.00 0.00 H new ATOM 0 HA THR A 1 3.892 8.108 -1.825 1.00 0.00 H new ATOM 0 HB THR A 1 6.027 8.979 -2.704 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.238 8.886 -4.920 1.00 0.00 H new ATOM 0 HG21 THR A 1 7.218 7.663 -4.418 1.00 0.00 H new ATOM 0 HG22 THR A 1 7.322 6.908 -2.810 1.00 0.00 H new ATOM 0 HG23 THR A 1 6.204 6.253 -4.031 1.00 0.00 H new ATOM 15 N PHE A 2 3.434 5.988 -3.437 1.00 0.00 N ATOM 16 CA PHE A 2 2.889 4.729 -3.915 1.00 0.00 C ATOM 17 C PHE A 2 3.980 3.664 -4.103 1.00 0.00 C ATOM 18 O PHE A 2 4.773 3.720 -5.039 1.00 0.00 O ATOM 19 CB PHE A 2 2.130 4.999 -5.215 1.00 0.00 C ATOM 20 CG PHE A 2 1.816 3.783 -6.045 1.00 0.00 C ATOM 21 CD1 PHE A 2 1.278 2.643 -5.472 1.00 0.00 C ATOM 22 CD2 PHE A 2 2.052 3.793 -7.411 1.00 0.00 C ATOM 23 CE1 PHE A 2 0.983 1.538 -6.245 1.00 0.00 C ATOM 24 CE2 PHE A 2 1.757 2.691 -8.189 1.00 0.00 C ATOM 25 CZ PHE A 2 1.223 1.562 -7.605 1.00 0.00 C ATOM 0 H PHE A 2 3.125 6.804 -3.965 1.00 0.00 H new ATOM 0 HA PHE A 2 2.206 4.323 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.195 5.503 -4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.716 5.690 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.087 2.618 -4.409 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.472 4.674 -7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.564 0.654 -5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.944 2.713 -9.252 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.993 0.698 -8.210 1.00 0.00 H new ATOM 35 N CYS A 3 4.011 2.715 -3.165 1.00 0.00 N ATOM 36 CA CYS A 3 4.993 1.628 -3.165 1.00 0.00 C ATOM 37 C CYS A 3 4.908 0.789 -4.439 1.00 0.00 C ATOM 38 O CYS A 3 5.877 0.674 -5.186 1.00 0.00 O ATOM 39 CB CYS A 3 4.767 0.703 -1.962 1.00 0.00 C ATOM 40 SG CYS A 3 4.331 1.552 -0.412 1.00 0.00 S ATOM 0 H CYS A 3 3.356 2.678 -2.384 1.00 0.00 H new ATOM 0 HA CYS A 3 5.978 2.091 -3.109 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.973 -0.002 -2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.672 0.119 -1.797 1.00 0.00 H new ATOM 45 N GLY A 4 3.744 0.191 -4.662 1.00 0.00 N ATOM 46 CA GLY A 4 3.541 -0.646 -5.829 1.00 0.00 C ATOM 47 C GLY A 4 2.272 -1.464 -5.709 1.00 0.00 C ATOM 48 O GLY A 4 1.544 -1.649 -6.681 1.00 0.00 O ATOM 0 H GLY A 4 2.932 0.272 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.490 -0.022 -6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.395 -1.312 -5.954 1.00 0.00 H new ATOM 52 N GLU A 5 2.015 -1.947 -4.504 1.00 0.00 N ATOM 53 CA GLU A 5 0.830 -2.749 -4.222 1.00 0.00 C ATOM 54 C GLU A 5 -0.427 -1.895 -4.106 1.00 0.00 C ATOM 55 O GLU A 5 -0.369 -0.662 -4.106 1.00 0.00 O ATOM 56 CB GLU A 5 1.006 -3.498 -2.911 1.00 0.00 C ATOM 57 CG GLU A 5 1.826 -4.767 -2.997 1.00 0.00 C ATOM 58 CD GLU A 5 2.116 -5.299 -1.622 1.00 0.00 C ATOM 59 OE1 GLU A 5 2.816 -4.601 -0.859 1.00 0.00 O ATOM 60 OE2 GLU A 5 1.650 -6.404 -1.289 1.00 0.00 O ATOM 0 H GLU A 5 2.618 -1.796 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 5 0.714 -3.441 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.476 -2.829 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.020 -3.748 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.288 -5.516 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.761 -4.568 -3.521 1.00 0.00 H new ATOM 67 N THR A 6 -1.552 -2.581 -3.952 1.00 0.00 N ATOM 68 CA THR A 6 -2.850 -1.949 -3.780 1.00 0.00 C ATOM 69 C THR A 6 -3.657 -2.750 -2.761 1.00 0.00 C ATOM 70 O THR A 6 -3.927 -3.936 -2.975 1.00 0.00 O ATOM 71 CB THR A 6 -3.632 -1.891 -5.113 1.00 0.00 C ATOM 72 OG1 THR A 6 -3.587 -3.173 -5.758 1.00 0.00 O ATOM 73 CG2 THR A 6 -3.067 -0.826 -6.042 1.00 0.00 C ATOM 0 H THR A 6 -1.588 -3.600 -3.943 1.00 0.00 H new ATOM 0 HA THR A 6 -2.693 -0.928 -3.433 1.00 0.00 H new ATOM 0 HB THR A 6 -4.666 -1.628 -4.888 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.583 -3.880 -5.080 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.639 -0.812 -6.970 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.133 0.149 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.024 -1.052 -6.263 1.00 0.00 H new ATOM 81 N CYS A 7 -4.050 -2.114 -1.664 1.00 0.00 N ATOM 82 CA CYS A 7 -4.839 -2.786 -0.634 1.00 0.00 C ATOM 83 C CYS A 7 -6.321 -2.740 -1.018 1.00 0.00 C ATOM 84 O CYS A 7 -7.157 -2.195 -0.299 1.00 0.00 O ATOM 85 CB CYS A 7 -4.601 -2.155 0.747 1.00 0.00 C ATOM 86 SG CYS A 7 -4.820 -0.357 0.820 1.00 0.00 S ATOM 0 H CYS A 7 -3.837 -1.137 -1.463 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.524 -3.827 -0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.281 -2.617 1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.588 -2.395 1.069 1.00 0.00 H new ATOM 91 N ARG A 8 -6.597 -3.277 -2.198 1.00 0.00 N ATOM 92 CA ARG A 8 -7.930 -3.289 -2.797 1.00 0.00 C ATOM 93 C ARG A 8 -9.008 -3.951 -1.963 1.00 0.00 C ATOM 94 O ARG A 8 -9.715 -3.284 -1.211 1.00 0.00 O ATOM 95 CB ARG A 8 -7.849 -3.949 -4.164 1.00 0.00 C ATOM 96 CG ARG A 8 -7.166 -3.041 -5.140 1.00 0.00 C ATOM 97 CD ARG A 8 -7.021 -3.626 -6.528 1.00 0.00 C ATOM 98 NE ARG A 8 -8.285 -3.626 -7.269 1.00 0.00 N ATOM 99 CZ ARG A 8 -8.946 -2.514 -7.627 1.00 0.00 C ATOM 100 NH1 ARG A 8 -8.494 -1.308 -7.282 1.00 0.00 N ATOM 101 NH2 ARG A 8 -10.073 -2.615 -8.327 1.00 0.00 N ATOM 0 H ARG A 8 -5.889 -3.726 -2.779 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.237 -2.246 -2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.304 -4.890 -4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.851 -4.189 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.727 -2.109 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.177 -2.791 -4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.277 -3.055 -7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.648 -4.647 -6.452 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.687 -4.527 -7.529 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.635 -1.221 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.007 -0.472 -7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.430 -3.534 -8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.580 -1.774 -8.602 1.00 0.00 H new ATOM 115 N VAL A 9 -9.182 -5.250 -2.133 1.00 0.00 N ATOM 116 CA VAL A 9 -10.232 -5.934 -1.413 1.00 0.00 C ATOM 117 C VAL A 9 -9.737 -6.407 -0.052 1.00 0.00 C ATOM 118 O VAL A 9 -10.433 -6.294 0.954 1.00 0.00 O ATOM 119 CB VAL A 9 -10.817 -7.120 -2.215 1.00 0.00 C ATOM 120 CG1 VAL A 9 -11.622 -6.612 -3.401 1.00 0.00 C ATOM 121 CG2 VAL A 9 -9.718 -8.065 -2.689 1.00 0.00 C ATOM 0 H VAL A 9 -8.622 -5.838 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.036 -5.213 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.478 -7.678 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.027 -7.459 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.441 -5.987 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.976 -6.026 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.162 -8.888 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.023 -7.523 -3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.182 -8.461 -1.827 1.00 0.00 H new ATOM 131 N ILE A 10 -8.512 -6.894 -0.033 1.00 0.00 N ATOM 132 CA ILE A 10 -7.868 -7.344 1.187 1.00 0.00 C ATOM 133 C ILE A 10 -6.595 -6.539 1.351 1.00 0.00 C ATOM 134 O ILE A 10 -5.587 -6.806 0.696 1.00 0.00 O ATOM 135 CB ILE A 10 -7.559 -8.857 1.156 1.00 0.00 C ATOM 136 CG1 ILE A 10 -7.007 -9.256 -0.215 1.00 0.00 C ATOM 137 CG2 ILE A 10 -8.809 -9.658 1.496 1.00 0.00 C ATOM 138 CD1 ILE A 10 -6.733 -10.739 -0.362 1.00 0.00 C ATOM 0 H ILE A 10 -7.932 -6.989 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.538 -7.189 2.033 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.800 -9.079 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.717 -8.950 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.083 -8.707 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.577 -10.723 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.156 -9.386 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.590 -9.439 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.344 -10.940 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.999 -11.049 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.658 -11.296 -0.214 1.00 0.00 H new ATOM 150 N PRO A 11 -6.656 -5.471 2.149 1.00 0.00 N ATOM 151 CA PRO A 11 -5.537 -4.556 2.324 1.00 0.00 C ATOM 152 C PRO A 11 -4.296 -5.129 2.972 1.00 0.00 C ATOM 153 O PRO A 11 -4.075 -6.337 3.032 1.00 0.00 O ATOM 154 CB PRO A 11 -6.101 -3.452 3.219 1.00 0.00 C ATOM 155 CG PRO A 11 -7.560 -3.530 3.029 1.00 0.00 C ATOM 156 CD PRO A 11 -7.853 -4.999 2.865 1.00 0.00 C ATOM 0 HA PRO A 11 -5.188 -4.242 1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.828 -3.609 4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.715 -2.474 2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.092 -3.114 3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.875 -2.964 2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.978 -5.500 3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.765 -5.172 2.294 1.00 0.00 H new ATOM 164 N VAL A 12 -3.495 -4.191 3.447 1.00 0.00 N ATOM 165 CA VAL A 12 -2.237 -4.450 4.103 1.00 0.00 C ATOM 166 C VAL A 12 -1.204 -4.965 3.118 1.00 0.00 C ATOM 167 O VAL A 12 -0.942 -6.164 3.028 1.00 0.00 O ATOM 168 CB VAL A 12 -2.353 -5.423 5.300 1.00 0.00 C ATOM 169 CG1 VAL A 12 -1.044 -5.483 6.077 1.00 0.00 C ATOM 170 CG2 VAL A 12 -3.501 -5.024 6.220 1.00 0.00 C ATOM 0 H VAL A 12 -3.715 -3.197 3.382 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.913 -3.490 4.505 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.564 -6.416 4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.149 -6.173 6.914 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.246 -5.829 5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.799 -4.490 6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.560 -5.725 7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.328 -4.018 6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.438 -5.043 5.663 1.00 0.00 H new ATOM 180 N CYS A 13 -0.636 -4.022 2.388 1.00 0.00 N ATOM 181 CA CYS A 13 0.392 -4.298 1.385 1.00 0.00 C ATOM 182 C CYS A 13 1.515 -5.150 1.997 1.00 0.00 C ATOM 183 O CYS A 13 2.329 -4.647 2.771 1.00 0.00 O ATOM 184 CB CYS A 13 0.955 -2.961 0.897 1.00 0.00 C ATOM 185 SG CYS A 13 -0.255 -1.593 0.990 1.00 0.00 S ATOM 0 H CYS A 13 -0.873 -3.033 2.471 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.039 -4.852 0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.831 -2.704 1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.292 -3.070 -0.134 1.00 0.00 H new ATOM 190 N THR A 14 1.515 -6.443 1.684 1.00 0.00 N ATOM 191 CA THR A 14 2.491 -7.384 2.235 1.00 0.00 C ATOM 192 C THR A 14 3.835 -7.400 1.487 1.00 0.00 C ATOM 193 O THR A 14 4.864 -7.732 2.079 1.00 0.00 O ATOM 194 CB THR A 14 1.910 -8.816 2.281 1.00 0.00 C ATOM 195 OG1 THR A 14 2.863 -9.723 2.853 1.00 0.00 O ATOM 196 CG2 THR A 14 1.519 -9.299 0.889 1.00 0.00 C ATOM 0 H THR A 14 0.843 -6.868 1.045 1.00 0.00 H new ATOM 0 HA THR A 14 2.696 -7.028 3.245 1.00 0.00 H new ATOM 0 HB THR A 14 1.015 -8.790 2.903 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.482 -10.625 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.114 -10.309 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.765 -8.632 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.398 -9.302 0.245 1.00 0.00 H new ATOM 204 N TYR A 15 3.836 -7.058 0.207 1.00 0.00 N ATOM 205 CA TYR A 15 5.068 -7.053 -0.582 1.00 0.00 C ATOM 206 C TYR A 15 5.948 -5.893 -0.151 1.00 0.00 C ATOM 207 O TYR A 15 7.139 -6.048 0.113 1.00 0.00 O ATOM 208 CB TYR A 15 4.740 -6.930 -2.076 1.00 0.00 C ATOM 209 CG TYR A 15 5.946 -6.905 -2.983 1.00 0.00 C ATOM 210 CD1 TYR A 15 6.592 -8.078 -3.325 1.00 0.00 C ATOM 211 CD2 TYR A 15 6.439 -5.709 -3.492 1.00 0.00 C ATOM 212 CE1 TYR A 15 7.699 -8.072 -4.151 1.00 0.00 C ATOM 213 CE2 TYR A 15 7.546 -5.691 -4.319 1.00 0.00 C ATOM 214 CZ TYR A 15 8.172 -6.874 -4.646 1.00 0.00 C ATOM 215 OH TYR A 15 9.274 -6.861 -5.469 1.00 0.00 O ATOM 0 H TYR A 15 3.002 -6.780 -0.310 1.00 0.00 H new ATOM 0 HA TYR A 15 5.599 -7.990 -0.414 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.102 -7.765 -2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.163 -6.019 -2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.224 -9.017 -2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.950 -4.780 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.191 -8.999 -4.408 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.919 -4.754 -4.707 1.00 0.00 H new ATOM 0 HH TYR A 15 9.476 -5.938 -5.731 1.00 0.00 H new ATOM 225 N SER A 16 5.334 -4.732 -0.075 1.00 0.00 N ATOM 226 CA SER A 16 6.021 -3.520 0.329 1.00 0.00 C ATOM 227 C SER A 16 5.945 -3.341 1.843 1.00 0.00 C ATOM 228 O SER A 16 6.299 -2.289 2.379 1.00 0.00 O ATOM 229 CB SER A 16 5.408 -2.330 -0.410 1.00 0.00 C ATOM 230 OG SER A 16 5.546 -2.486 -1.812 1.00 0.00 O ATOM 0 H SER A 16 4.346 -4.600 -0.291 1.00 0.00 H new ATOM 0 HA SER A 16 7.077 -3.589 0.066 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.353 -2.239 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.895 -1.408 -0.092 1.00 0.00 H new ATOM 0 HG SER A 16 4.798 -2.044 -2.266 1.00 0.00 H new ATOM 236 N ALA A 17 5.496 -4.389 2.528 1.00 0.00 N ATOM 237 CA ALA A 17 5.376 -4.365 3.980 1.00 0.00 C ATOM 238 C ALA A 17 6.739 -4.223 4.651 1.00 0.00 C ATOM 239 O ALA A 17 6.825 -3.740 5.775 1.00 0.00 O ATOM 240 CB ALA A 17 4.678 -5.616 4.489 1.00 0.00 C ATOM 0 H ALA A 17 5.209 -5.268 2.098 1.00 0.00 H new ATOM 0 HA ALA A 17 4.773 -3.494 4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.601 -5.573 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.679 -5.677 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.252 -6.496 4.200 1.00 0.00 H new ATOM 246 N ALA A 18 7.798 -4.644 3.955 1.00 0.00 N ATOM 247 CA ALA A 18 9.161 -4.554 4.489 1.00 0.00 C ATOM 248 C ALA A 18 9.474 -3.116 4.893 1.00 0.00 C ATOM 249 O ALA A 18 10.041 -2.857 5.950 1.00 0.00 O ATOM 250 CB ALA A 18 10.167 -5.050 3.461 1.00 0.00 C ATOM 0 H ALA A 18 7.739 -5.050 3.021 1.00 0.00 H new ATOM 0 HA ALA A 18 9.233 -5.187 5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.174 -4.977 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.951 -6.089 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.098 -4.440 2.560 1.00 0.00 H new ATOM 256 N LEU A 19 9.051 -2.187 4.048 1.00 0.00 N ATOM 257 CA LEU A 19 9.221 -0.761 4.296 1.00 0.00 C ATOM 258 C LEU A 19 8.233 -0.237 5.310 1.00 0.00 C ATOM 259 O LEU A 19 8.358 0.890 5.774 1.00 0.00 O ATOM 260 CB LEU A 19 9.053 0.035 3.005 1.00 0.00 C ATOM 261 CG LEU A 19 10.338 0.392 2.273 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.229 -0.828 2.083 1.00 0.00 C ATOM 263 CD2 LEU A 19 10.023 1.037 0.933 1.00 0.00 C ATOM 0 H LEU A 19 8.579 -2.400 3.169 1.00 0.00 H new ATOM 0 HA LEU A 19 10.229 -0.635 4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.419 -0.537 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.521 0.958 3.236 1.00 0.00 H new ATOM 0 HG LEU A 19 10.884 1.108 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.138 -0.536 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.491 -1.243 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.697 -1.580 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.953 1.286 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.448 0.342 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.442 1.945 1.094 1.00 0.00 H new ATOM 275 N GLY A 20 7.230 -1.030 5.607 1.00 0.00 N ATOM 276 CA GLY A 20 6.198 -0.599 6.515 1.00 0.00 C ATOM 277 C GLY A 20 5.195 0.225 5.755 1.00 0.00 C ATOM 278 O GLY A 20 4.569 1.137 6.294 1.00 0.00 O ATOM 0 H GLY A 20 7.108 -1.972 5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.711 -1.462 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.630 -0.013 7.326 1.00 0.00 H new ATOM 282 N CYS A 21 5.073 -0.112 4.473 1.00 0.00 N ATOM 283 CA CYS A 21 4.174 0.567 3.561 1.00 0.00 C ATOM 284 C CYS A 21 2.741 0.537 4.050 1.00 0.00 C ATOM 285 O CYS A 21 2.087 -0.507 4.048 1.00 0.00 O ATOM 286 CB CYS A 21 4.244 -0.077 2.173 1.00 0.00 C ATOM 287 SG CYS A 21 5.467 0.665 1.032 1.00 0.00 S ATOM 0 H CYS A 21 5.602 -0.870 4.041 1.00 0.00 H new ATOM 0 HA CYS A 21 4.495 1.607 3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.477 -1.135 2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.258 -0.018 1.712 1.00 0.00 H new ATOM 292 N THR A 22 2.242 1.698 4.412 1.00 0.00 N ATOM 293 CA THR A 22 0.878 1.825 4.836 1.00 0.00 C ATOM 294 C THR A 22 0.104 2.454 3.707 1.00 0.00 C ATOM 295 O THR A 22 0.508 3.471 3.148 1.00 0.00 O ATOM 296 CB THR A 22 0.722 2.661 6.112 1.00 0.00 C ATOM 297 OG1 THR A 22 1.544 3.834 6.042 1.00 0.00 O ATOM 298 CG2 THR A 22 1.085 1.848 7.345 1.00 0.00 C ATOM 0 H THR A 22 2.771 2.570 4.419 1.00 0.00 H new ATOM 0 HA THR A 22 0.497 0.833 5.078 1.00 0.00 H new ATOM 0 HB THR A 22 -0.323 2.960 6.192 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.471 4.232 5.150 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.966 2.465 8.236 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.430 0.980 7.414 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.120 1.516 7.270 1.00 0.00 H new ATOM 306 N CYS A 23 -0.976 1.830 3.337 1.00 0.00 N ATOM 307 CA CYS A 23 -1.767 2.331 2.242 1.00 0.00 C ATOM 308 C CYS A 23 -2.854 3.264 2.736 1.00 0.00 C ATOM 309 O CYS A 23 -2.820 3.727 3.876 1.00 0.00 O ATOM 310 CB CYS A 23 -2.355 1.179 1.444 1.00 0.00 C ATOM 311 SG CYS A 23 -3.595 0.201 2.327 1.00 0.00 S ATOM 0 H CYS A 23 -1.331 0.978 3.772 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.116 2.906 1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.806 1.578 0.535 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.545 0.519 1.134 1.00 0.00 H new ATOM 316 N ASP A 24 -3.811 3.532 1.871 1.00 0.00 N ATOM 317 CA ASP A 24 -4.913 4.409 2.205 1.00 0.00 C ATOM 318 C ASP A 24 -6.053 3.592 2.818 1.00 0.00 C ATOM 319 O ASP A 24 -6.611 3.978 3.844 1.00 0.00 O ATOM 320 CB ASP A 24 -5.378 5.169 0.951 1.00 0.00 C ATOM 321 CG ASP A 24 -4.270 5.999 0.290 1.00 0.00 C ATOM 322 OD1 ASP A 24 -3.131 6.045 0.816 1.00 0.00 O ATOM 323 OD2 ASP A 24 -4.528 6.597 -0.773 1.00 0.00 O ATOM 0 H ASP A 24 -3.847 3.152 0.925 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.587 5.145 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.766 4.454 0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.203 5.829 1.221 1.00 0.00 H new ATOM 328 N ASP A 25 -6.369 2.450 2.182 1.00 0.00 N ATOM 329 CA ASP A 25 -7.427 1.530 2.634 1.00 0.00 C ATOM 330 C ASP A 25 -8.797 2.127 2.528 1.00 0.00 C ATOM 331 O ASP A 25 -9.023 3.308 2.796 1.00 0.00 O ATOM 332 CB ASP A 25 -7.153 0.953 4.041 1.00 0.00 C ATOM 333 CG ASP A 25 -8.373 0.308 4.686 1.00 0.00 C ATOM 334 OD1 ASP A 25 -9.277 1.036 5.138 1.00 0.00 O ATOM 335 OD2 ASP A 25 -8.435 -0.937 4.735 1.00 0.00 O ATOM 0 H ASP A 25 -5.894 2.138 1.335 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.402 0.688 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.356 0.213 3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.791 1.752 4.688 1.00 0.00 H new ATOM 340 N ARG A 26 -9.686 1.260 2.052 1.00 0.00 N ATOM 341 CA ARG A 26 -11.070 1.588 1.801 1.00 0.00 C ATOM 342 C ARG A 26 -11.166 2.177 0.423 1.00 0.00 C ATOM 343 O ARG A 26 -10.547 3.197 0.125 1.00 0.00 O ATOM 344 CB ARG A 26 -11.642 2.534 2.846 1.00 0.00 C ATOM 345 CG ARG A 26 -11.966 1.884 4.186 1.00 0.00 C ATOM 346 CD ARG A 26 -12.688 0.556 4.008 1.00 0.00 C ATOM 347 NE ARG A 26 -13.216 0.015 5.268 1.00 0.00 N ATOM 348 CZ ARG A 26 -12.466 -0.437 6.284 1.00 0.00 C ATOM 349 NH1 ARG A 26 -11.142 -0.368 6.245 1.00 0.00 N ATOM 350 NH2 ARG A 26 -13.056 -0.950 7.361 1.00 0.00 N ATOM 0 H ARG A 26 -9.451 0.293 1.828 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.668 0.679 1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.930 3.342 3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.550 2.986 2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.044 1.725 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.585 2.558 4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.509 0.687 3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.002 -0.168 3.568 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.229 -0.019 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.676 0.035 5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.590 -0.717 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.074 -0.998 7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.491 -1.295 8.137 1.00 0.00 H new ATOM 364 N SER A 27 -11.889 1.472 -0.436 1.00 0.00 N ATOM 365 CA SER A 27 -12.008 1.858 -1.824 1.00 0.00 C ATOM 366 C SER A 27 -10.624 1.712 -2.447 1.00 0.00 C ATOM 367 O SER A 27 -10.265 2.405 -3.401 1.00 0.00 O ATOM 368 CB SER A 27 -12.536 3.288 -1.950 1.00 0.00 C ATOM 369 OG SER A 27 -13.721 3.459 -1.186 1.00 0.00 O ATOM 0 H SER A 27 -12.402 0.626 -0.188 1.00 0.00 H new ATOM 0 HA SER A 27 -12.724 1.223 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.776 3.992 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.737 3.515 -2.997 1.00 0.00 H new ATOM 0 HG SER A 27 -14.040 4.381 -1.280 1.00 0.00 H new ATOM 375 N ASP A 28 -9.866 0.781 -1.844 1.00 0.00 N ATOM 376 CA ASP A 28 -8.496 0.442 -2.228 1.00 0.00 C ATOM 377 C ASP A 28 -7.507 1.529 -1.825 1.00 0.00 C ATOM 378 O ASP A 28 -6.621 1.305 -1.000 1.00 0.00 O ATOM 379 CB ASP A 28 -8.406 0.181 -3.740 1.00 0.00 C ATOM 380 CG ASP A 28 -6.996 -0.110 -4.242 1.00 0.00 C ATOM 381 OD1 ASP A 28 -6.095 -0.382 -3.421 1.00 0.00 O ATOM 382 OD2 ASP A 28 -6.813 -0.131 -5.483 1.00 0.00 O ATOM 0 H ASP A 28 -10.204 0.231 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.227 -0.468 -1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.050 -0.662 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.797 1.049 -4.271 1.00 0.00 H new ATOM 387 N GLY A 29 -7.645 2.691 -2.424 1.00 0.00 N ATOM 388 CA GLY A 29 -6.732 3.770 -2.138 1.00 0.00 C ATOM 389 C GLY A 29 -5.431 3.549 -2.861 1.00 0.00 C ATOM 390 O GLY A 29 -5.411 3.509 -4.091 1.00 0.00 O ATOM 0 H GLY A 29 -8.373 2.910 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.171 4.720 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.555 3.832 -1.064 1.00 0.00 H new ATOM 394 N LEU A 30 -4.349 3.400 -2.100 1.00 0.00 N ATOM 395 CA LEU A 30 -3.038 3.185 -2.686 1.00 0.00 C ATOM 396 C LEU A 30 -1.962 3.064 -1.593 1.00 0.00 C ATOM 397 O LEU A 30 -1.956 3.832 -0.637 1.00 0.00 O ATOM 398 CB LEU A 30 -2.744 4.354 -3.617 1.00 0.00 C ATOM 399 CG LEU A 30 -1.654 4.119 -4.650 1.00 0.00 C ATOM 400 CD1 LEU A 30 -2.034 2.949 -5.543 1.00 0.00 C ATOM 401 CD2 LEU A 30 -1.445 5.371 -5.485 1.00 0.00 C ATOM 0 H LEU A 30 -4.359 3.425 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.026 2.251 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.663 4.618 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.464 5.215 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.722 3.884 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.249 2.785 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.154 2.052 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.972 3.170 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.662 5.191 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.373 5.626 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.150 6.196 -4.836 1.00 0.00 H new ATOM 413 N CYS A 31 -1.067 2.083 -1.725 1.00 0.00 N ATOM 414 CA CYS A 31 -0.003 1.855 -0.731 1.00 0.00 C ATOM 415 C CYS A 31 1.036 2.978 -0.734 1.00 0.00 C ATOM 416 O CYS A 31 1.457 3.430 -1.794 1.00 0.00 O ATOM 417 CB CYS A 31 0.685 0.512 -0.990 1.00 0.00 C ATOM 418 SG CYS A 31 -0.435 -0.923 -0.916 1.00 0.00 S ATOM 0 H CYS A 31 -1.053 1.431 -2.509 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.475 1.842 0.251 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.157 0.541 -1.972 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.481 0.376 -0.258 1.00 0.00 H new ATOM 423 N LYS A 32 1.449 3.422 0.456 1.00 0.00 N ATOM 424 CA LYS A 32 2.440 4.493 0.585 1.00 0.00 C ATOM 425 C LYS A 32 3.684 3.988 1.330 1.00 0.00 C ATOM 426 O LYS A 32 3.580 3.217 2.277 1.00 0.00 O ATOM 427 CB LYS A 32 1.812 5.686 1.313 1.00 0.00 C ATOM 428 CG LYS A 32 1.932 7.022 0.584 1.00 0.00 C ATOM 429 CD LYS A 32 1.579 6.916 -0.899 1.00 0.00 C ATOM 430 CE LYS A 32 0.211 6.297 -1.157 1.00 0.00 C ATOM 431 NZ LYS A 32 -0.897 6.962 -0.401 1.00 0.00 N ATOM 0 H LYS A 32 1.111 3.055 1.346 1.00 0.00 H new ATOM 0 HA LYS A 32 2.755 4.813 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.756 5.475 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.279 5.781 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.275 7.751 1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.950 7.397 0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.608 7.911 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.339 6.320 -1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.006 6.347 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.242 5.241 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.420 6.249 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.498 7.672 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.543 7.428 -1.070 1.00 0.00 H new ATOM 445 N ARG A 33 4.853 4.393 0.841 1.00 0.00 N ATOM 446 CA ARG A 33 6.153 3.963 1.386 1.00 0.00 C ATOM 447 C ARG A 33 6.544 4.695 2.673 1.00 0.00 C ATOM 448 O ARG A 33 5.700 5.210 3.399 1.00 0.00 O ATOM 449 CB ARG A 33 7.245 4.214 0.332 1.00 0.00 C ATOM 450 CG ARG A 33 7.267 3.214 -0.810 1.00 0.00 C ATOM 451 CD ARG A 33 7.461 3.898 -2.161 1.00 0.00 C ATOM 452 NE ARG A 33 8.712 4.659 -2.255 1.00 0.00 N ATOM 453 CZ ARG A 33 9.925 4.118 -2.360 1.00 0.00 C ATOM 454 NH1 ARG A 33 10.080 2.796 -2.347 1.00 0.00 N ATOM 455 NH2 ARG A 33 10.981 4.905 -2.502 1.00 0.00 N ATOM 0 H ARG A 33 4.934 5.033 0.051 1.00 0.00 H new ATOM 0 HA ARG A 33 6.059 2.905 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.109 5.214 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.217 4.202 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.070 2.495 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.333 2.652 -0.818 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.443 3.144 -2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.622 4.569 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 33 8.648 5.677 -2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.266 2.188 -2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.013 2.391 -2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.862 5.918 -2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.913 4.498 -2.583 1.00 0.00 H new ATOM 469 N ASN A 34 7.860 4.741 2.913 1.00 0.00 N ATOM 470 CA ASN A 34 8.464 5.405 4.071 1.00 0.00 C ATOM 471 C ASN A 34 9.854 5.865 3.671 1.00 0.00 C ATOM 472 O ASN A 34 10.457 5.271 2.776 1.00 0.00 O ATOM 473 CB ASN A 34 8.559 4.478 5.266 1.00 0.00 C ATOM 474 CG ASN A 34 7.235 4.249 5.957 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.584 5.188 6.411 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.846 2.993 6.055 1.00 0.00 N ATOM 0 H ASN A 34 8.547 4.309 2.295 1.00 0.00 H new ATOM 0 HA ASN A 34 7.838 6.248 4.364 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.961 3.518 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.267 4.894 5.983 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.969 2.766 6.524 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.422 2.249 5.662 1.00 0.00 H new ATOM 483 N GLY A 35 10.331 6.959 4.260 1.00 0.00 N ATOM 484 CA GLY A 35 11.624 7.516 3.864 1.00 0.00 C ATOM 485 C GLY A 35 11.417 8.355 2.619 1.00 0.00 C ATOM 486 O GLY A 35 11.893 9.479 2.499 1.00 0.00 O ATOM 0 H GLY A 35 9.852 7.471 5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.038 8.125 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.339 6.716 3.669 1.00 0.00 H new ATOM 490 N ASP A 36 10.610 7.779 1.749 1.00 0.00 N ATOM 491 CA ASP A 36 10.153 8.362 0.505 1.00 0.00 C ATOM 492 C ASP A 36 8.711 7.861 0.314 1.00 0.00 C ATOM 493 O ASP A 36 8.390 7.158 -0.646 1.00 0.00 O ATOM 494 CB ASP A 36 11.064 7.928 -0.654 1.00 0.00 C ATOM 495 CG ASP A 36 10.532 8.319 -2.020 1.00 0.00 C ATOM 496 OD1 ASP A 36 10.292 9.518 -2.250 1.00 0.00 O ATOM 497 OD2 ASP A 36 10.358 7.409 -2.862 1.00 0.00 O ATOM 0 H ASP A 36 10.237 6.842 1.900 1.00 0.00 H new ATOM 0 HA ASP A 36 10.184 9.451 0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.050 8.371 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.193 6.846 -0.619 1.00 0.00 H new ATOM 502 N PRO A 37 7.829 8.133 1.313 1.00 0.00 N ATOM 503 CA PRO A 37 6.434 7.651 1.324 1.00 0.00 C ATOM 504 C PRO A 37 5.602 8.118 0.143 1.00 0.00 C ATOM 505 O PRO A 37 5.065 9.224 0.120 1.00 0.00 O ATOM 506 CB PRO A 37 5.908 8.186 2.668 1.00 0.00 C ATOM 507 CG PRO A 37 7.145 8.175 3.478 1.00 0.00 C ATOM 508 CD PRO A 37 8.116 8.852 2.571 1.00 0.00 C ATOM 0 HA PRO A 37 6.373 6.567 1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.484 9.186 2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.132 7.548 3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.022 8.713 4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.459 7.162 3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.934 9.924 2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.149 8.727 2.897 1.00 0.00 H new TER 516 PRO A 37