USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 373 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 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 71:sc= -0.031 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.618 USER MOD Single : A 36 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 40 THR OG1 : rot 42:sc= -0.16 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 46 GLN : amide:sc= -0.265 K(o=-0.26,f=-1.1) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.02 K(o=1,f=-8.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 61 GLN :FLIP amide:sc= -1.73! C(o=-3!,f=-1.7!) USER MOD Single : A 64 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 19 4.242 -0.551 -1.396 1.00 62.23 N ATOM 2 CA MET A 19 2.976 -0.170 -2.010 1.00 54.42 C ATOM 3 C MET A 19 2.779 -0.887 -3.342 1.00 32.22 C ATOM 4 O MET A 19 3.724 -1.433 -3.909 1.00 60.32 O ATOM 5 CB MET A 19 2.922 1.345 -2.221 1.00 23.21 C ATOM 6 CG MET A 19 2.929 2.139 -0.925 1.00 4.30 C ATOM 7 SD MET A 19 3.588 3.805 -1.135 1.00 30.41 S ATOM 8 CE MET A 19 2.239 4.787 -0.484 1.00 30.31 C ATOM 0 HA MET A 19 2.172 -0.465 -1.336 1.00 54.42 H new ATOM 0 HB2 MET A 19 3.774 1.650 -2.829 1.00 23.21 H new ATOM 0 HB3 MET A 19 2.023 1.593 -2.785 1.00 23.21 H new ATOM 0 HG2 MET A 19 1.913 2.201 -0.536 1.00 4.30 H new ATOM 0 HG3 MET A 19 3.524 1.608 -0.181 1.00 4.30 H new ATOM 0 HE1 MET A 19 2.496 5.844 -0.545 1.00 30.31 H new ATOM 0 HE2 MET A 19 1.337 4.598 -1.067 1.00 30.31 H new ATOM 0 HE3 MET A 19 2.061 4.517 0.557 1.00 30.31 H new ATOM 18 N GLY A 20 1.544 -0.882 -3.835 1.00 61.21 N ATOM 19 CA GLY A 20 1.246 -1.536 -5.096 1.00 24.31 C ATOM 20 C GLY A 20 -0.120 -1.162 -5.635 1.00 1.30 C ATOM 21 O GLY A 20 -0.418 0.018 -5.827 1.00 62.54 O ATOM 0 H GLY A 20 0.745 -0.437 -3.384 1.00 61.21 H new ATOM 0 HA2 GLY A 20 2.008 -1.269 -5.829 1.00 24.31 H new ATOM 0 HA3 GLY A 20 1.297 -2.617 -4.962 1.00 24.31 H new ATOM 25 N CYS A 21 -0.953 -2.167 -5.881 1.00 71.13 N ATOM 26 CA CYS A 21 -2.295 -1.939 -6.404 1.00 2.42 C ATOM 27 C CYS A 21 -3.301 -2.880 -5.749 1.00 32.23 C ATOM 28 O CYS A 21 -2.925 -3.823 -5.051 1.00 43.22 O ATOM 29 CB CYS A 21 -2.313 -2.131 -7.922 1.00 13.45 C ATOM 30 SG CYS A 21 -1.685 -0.701 -8.859 1.00 44.05 S ATOM 0 H CYS A 21 -0.722 -3.148 -5.726 1.00 71.13 H new ATOM 0 HA CYS A 21 -2.579 -0.913 -6.171 1.00 2.42 H new ATOM 0 HB2 CYS A 21 -1.716 -3.008 -8.174 1.00 13.45 H new ATOM 0 HB3 CYS A 21 -3.335 -2.339 -8.239 1.00 13.45 H new ATOM 35 N THR A 22 -4.584 -2.619 -5.978 1.00 54.51 N ATOM 36 CA THR A 22 -5.645 -3.441 -5.411 1.00 14.35 C ATOM 37 C THR A 22 -6.650 -3.856 -6.479 1.00 33.01 C ATOM 38 O THR A 22 -6.929 -3.100 -7.410 1.00 61.32 O ATOM 39 CB THR A 22 -6.389 -2.699 -4.283 1.00 63.23 C ATOM 40 OG1 THR A 22 -6.758 -1.387 -4.721 1.00 13.21 O ATOM 41 CG2 THR A 22 -5.521 -2.598 -3.038 1.00 21.40 C ATOM 0 H THR A 22 -4.913 -1.844 -6.553 1.00 54.51 H new ATOM 0 HA THR A 22 -5.169 -4.331 -4.999 1.00 14.35 H new ATOM 0 HB THR A 22 -7.287 -3.265 -4.036 1.00 63.23 H new ATOM 0 HG1 THR A 22 -7.232 -0.922 -4.000 1.00 13.21 H new ATOM 0 HG21 THR A 22 -6.067 -2.071 -2.256 1.00 21.40 H new ATOM 0 HG22 THR A 22 -5.265 -3.599 -2.690 1.00 21.40 H new ATOM 0 HG23 THR A 22 -4.608 -2.052 -3.274 1.00 21.40 H new ATOM 49 N TYR A 23 -7.192 -5.061 -6.338 1.00 51.43 N ATOM 50 CA TYR A 23 -8.166 -5.577 -7.293 1.00 64.01 C ATOM 51 C TYR A 23 -9.549 -5.680 -6.659 1.00 32.14 C ATOM 52 O TYR A 23 -9.686 -6.059 -5.495 1.00 1.23 O ATOM 53 CB TYR A 23 -7.726 -6.948 -7.810 1.00 52.35 C ATOM 54 CG TYR A 23 -8.773 -7.641 -8.652 1.00 73.34 C ATOM 55 CD1 TYR A 23 -9.750 -8.436 -8.065 1.00 55.41 C ATOM 56 CD2 TYR A 23 -8.785 -7.503 -10.035 1.00 20.32 C ATOM 57 CE1 TYR A 23 -10.709 -9.072 -8.830 1.00 42.12 C ATOM 58 CE2 TYR A 23 -9.740 -8.135 -10.808 1.00 12.44 C ATOM 59 CZ TYR A 23 -10.700 -8.918 -10.201 1.00 2.12 C ATOM 60 OH TYR A 23 -11.652 -9.550 -10.967 1.00 52.53 O ATOM 0 H TYR A 23 -6.974 -5.698 -5.572 1.00 51.43 H new ATOM 0 HA TYR A 23 -8.221 -4.881 -8.130 1.00 64.01 H new ATOM 0 HB2 TYR A 23 -6.817 -6.830 -8.400 1.00 52.35 H new ATOM 0 HB3 TYR A 23 -7.475 -7.584 -6.961 1.00 52.35 H new ATOM 0 HD1 TYR A 23 -9.760 -8.559 -6.992 1.00 55.41 H new ATOM 0 HD2 TYR A 23 -8.035 -6.891 -10.514 1.00 20.32 H new ATOM 0 HE1 TYR A 23 -11.461 -9.686 -8.357 1.00 42.12 H new ATOM 0 HE2 TYR A 23 -9.735 -8.017 -11.881 1.00 12.44 H new ATOM 0 HH TYR A 23 -12.523 -9.125 -10.823 1.00 52.53 H new ATOM 70 N THR A 24 -10.575 -5.341 -7.433 1.00 51.51 N ATOM 71 CA THR A 24 -11.949 -5.394 -6.949 1.00 3.41 C ATOM 72 C THR A 24 -12.617 -6.709 -7.334 1.00 0.50 C ATOM 73 O THR A 24 -12.846 -6.977 -8.514 1.00 14.33 O ATOM 74 CB THR A 24 -12.785 -4.224 -7.502 1.00 70.53 C ATOM 75 OG1 THR A 24 -12.055 -2.999 -7.380 1.00 1.21 O ATOM 76 CG2 THR A 24 -14.109 -4.108 -6.762 1.00 61.10 C ATOM 0 H THR A 24 -10.480 -5.026 -8.399 1.00 51.51 H new ATOM 0 HA THR A 24 -11.905 -5.317 -5.863 1.00 3.41 H new ATOM 0 HB THR A 24 -12.991 -4.419 -8.554 1.00 70.53 H new ATOM 0 HG1 THR A 24 -12.593 -2.261 -7.735 1.00 1.21 H new ATOM 0 HG21 THR A 24 -14.682 -3.275 -7.170 1.00 61.10 H new ATOM 0 HG22 THR A 24 -14.675 -5.032 -6.882 1.00 61.10 H new ATOM 0 HG23 THR A 24 -13.920 -3.934 -5.703 1.00 61.10 H new ATOM 84 N ILE A 25 -12.928 -7.524 -6.332 1.00 65.54 N ATOM 85 CA ILE A 25 -13.571 -8.811 -6.567 1.00 55.13 C ATOM 86 C ILE A 25 -15.087 -8.661 -6.645 1.00 10.12 C ATOM 87 O ILE A 25 -15.753 -8.458 -5.630 1.00 24.13 O ATOM 88 CB ILE A 25 -13.223 -9.825 -5.462 1.00 31.11 C ATOM 89 CG1 ILE A 25 -11.713 -9.850 -5.220 1.00 5.22 C ATOM 90 CG2 ILE A 25 -13.728 -11.211 -5.836 1.00 42.41 C ATOM 91 CD1 ILE A 25 -11.290 -10.813 -4.132 1.00 55.24 C ATOM 0 H ILE A 25 -12.745 -7.316 -5.350 1.00 65.54 H new ATOM 0 HA ILE A 25 -13.195 -9.182 -7.520 1.00 55.13 H new ATOM 0 HB ILE A 25 -13.715 -9.517 -4.539 1.00 31.11 H new ATOM 0 HG12 ILE A 25 -11.209 -10.119 -6.148 1.00 5.22 H new ATOM 0 HG13 ILE A 25 -11.379 -8.847 -4.956 1.00 5.22 H new ATOM 0 HG21 ILE A 25 -13.474 -11.916 -5.045 1.00 42.41 H new ATOM 0 HG22 ILE A 25 -14.810 -11.182 -5.963 1.00 42.41 H new ATOM 0 HG23 ILE A 25 -13.262 -11.529 -6.769 1.00 42.41 H new ATOM 0 HD11 ILE A 25 -10.207 -10.777 -4.016 1.00 55.24 H new ATOM 0 HD12 ILE A 25 -11.765 -10.532 -3.192 1.00 55.24 H new ATOM 0 HD13 ILE A 25 -11.593 -11.824 -4.403 1.00 55.24 H new ATOM 103 N GLN A 26 -15.625 -8.764 -7.856 1.00 12.13 N ATOM 104 CA GLN A 26 -17.063 -8.641 -8.065 1.00 41.21 C ATOM 105 C GLN A 26 -17.670 -9.979 -8.472 1.00 34.34 C ATOM 106 O GLN A 26 -16.975 -10.898 -8.907 1.00 13.43 O ATOM 107 CB GLN A 26 -17.355 -7.588 -9.136 1.00 34.31 C ATOM 108 CG GLN A 26 -16.451 -7.692 -10.354 1.00 13.45 C ATOM 109 CD GLN A 26 -16.764 -6.644 -11.403 1.00 52.24 C ATOM 110 OE1 GLN A 26 -17.532 -6.891 -12.334 1.00 42.40 O ATOM 111 NE2 GLN A 26 -16.170 -5.465 -11.259 1.00 61.03 N ATOM 0 H GLN A 26 -15.088 -8.932 -8.706 1.00 12.13 H new ATOM 0 HA GLN A 26 -17.516 -8.328 -7.124 1.00 41.21 H new ATOM 0 HB2 GLN A 26 -18.393 -7.684 -9.455 1.00 34.31 H new ATOM 0 HB3 GLN A 26 -17.247 -6.596 -8.697 1.00 34.31 H new ATOM 0 HG2 GLN A 26 -15.412 -7.588 -10.041 1.00 13.45 H new ATOM 0 HG3 GLN A 26 -16.554 -8.684 -10.795 1.00 13.45 H new ATOM 0 HE21 GLN A 26 -15.541 -5.304 -10.473 1.00 61.03 H new ATOM 0 HE22 GLN A 26 -16.343 -4.721 -11.935 1.00 61.03 H new ATOM 120 N PRO A 27 -18.999 -10.095 -8.327 1.00 61.02 N ATOM 121 CA PRO A 27 -19.729 -11.318 -8.674 1.00 13.20 C ATOM 122 C PRO A 27 -19.449 -11.775 -10.101 1.00 72.24 C ATOM 123 O PRO A 27 -20.051 -11.278 -11.052 1.00 45.33 O ATOM 124 CB PRO A 27 -21.197 -10.910 -8.522 1.00 3.45 C ATOM 125 CG PRO A 27 -21.175 -9.769 -7.564 1.00 11.31 C ATOM 126 CD PRO A 27 -19.890 -9.041 -7.815 1.00 13.14 C ATOM 0 HA PRO A 27 -19.438 -12.159 -8.044 1.00 13.20 H new ATOM 0 HB2 PRO A 27 -21.627 -10.615 -9.479 1.00 3.45 H new ATOM 0 HB3 PRO A 27 -21.800 -11.735 -8.142 1.00 3.45 H new ATOM 0 HG2 PRO A 27 -22.031 -9.113 -7.719 1.00 11.31 H new ATOM 0 HG3 PRO A 27 -21.228 -10.123 -6.535 1.00 11.31 H new ATOM 0 HD2 PRO A 27 -20.018 -8.236 -8.539 1.00 13.14 H new ATOM 0 HD3 PRO A 27 -19.498 -8.591 -6.903 1.00 13.14 H new ATOM 134 N GLY A 28 -18.532 -12.727 -10.244 1.00 22.22 N ATOM 135 CA GLY A 28 -18.189 -13.236 -11.559 1.00 4.21 C ATOM 136 C GLY A 28 -16.706 -13.517 -11.703 1.00 51.11 C ATOM 137 O GLY A 28 -16.295 -14.284 -12.574 1.00 23.24 O ATOM 0 H GLY A 28 -18.020 -13.155 -9.472 1.00 22.22 H new ATOM 0 HA2 GLY A 28 -18.749 -14.152 -11.748 1.00 4.21 H new ATOM 0 HA3 GLY A 28 -18.494 -12.513 -12.316 1.00 4.21 H new ATOM 141 N ASP A 29 -15.902 -12.894 -10.849 1.00 43.42 N ATOM 142 CA ASP A 29 -14.456 -13.080 -10.886 1.00 21.24 C ATOM 143 C ASP A 29 -14.042 -14.287 -10.049 1.00 74.12 C ATOM 144 O ASP A 29 -14.782 -14.730 -9.170 1.00 32.21 O ATOM 145 CB ASP A 29 -13.745 -11.825 -10.378 1.00 13.41 C ATOM 146 CG ASP A 29 -14.323 -10.553 -10.969 1.00 30.54 C ATOM 147 OD1 ASP A 29 -14.925 -10.626 -12.061 1.00 21.54 O ATOM 148 OD2 ASP A 29 -14.174 -9.486 -10.338 1.00 51.15 O ATOM 0 H ASP A 29 -16.227 -12.256 -10.123 1.00 43.42 H new ATOM 0 HA ASP A 29 -14.164 -13.260 -11.921 1.00 21.24 H new ATOM 0 HB2 ASP A 29 -13.819 -11.784 -9.291 1.00 13.41 H new ATOM 0 HB3 ASP A 29 -12.685 -11.887 -10.623 1.00 13.41 H new ATOM 153 N THR A 30 -12.855 -14.816 -10.329 1.00 75.43 N ATOM 154 CA THR A 30 -12.344 -15.973 -9.605 1.00 33.20 C ATOM 155 C THR A 30 -10.845 -15.848 -9.357 1.00 35.22 C ATOM 156 O THR A 30 -10.104 -15.356 -10.208 1.00 30.42 O ATOM 157 CB THR A 30 -12.619 -17.281 -10.370 1.00 71.51 C ATOM 158 OG1 THR A 30 -12.569 -17.043 -11.781 1.00 72.53 O ATOM 159 CG2 THR A 30 -13.978 -17.853 -9.995 1.00 12.42 C ATOM 0 H THR A 30 -12.229 -14.461 -11.052 1.00 75.43 H new ATOM 0 HA THR A 30 -12.867 -16.004 -8.649 1.00 33.20 H new ATOM 0 HB THR A 30 -11.851 -18.004 -10.096 1.00 71.51 H new ATOM 0 HG1 THR A 30 -12.743 -17.880 -12.260 1.00 72.53 H new ATOM 0 HG21 THR A 30 -14.149 -18.776 -10.548 1.00 12.42 H new ATOM 0 HG22 THR A 30 -14.003 -18.061 -8.925 1.00 12.42 H new ATOM 0 HG23 THR A 30 -14.757 -17.132 -10.242 1.00 12.42 H new ATOM 167 N PHE A 31 -10.405 -16.297 -8.186 1.00 41.11 N ATOM 168 CA PHE A 31 -8.993 -16.235 -7.826 1.00 11.11 C ATOM 169 C PHE A 31 -8.126 -16.858 -8.916 1.00 2.12 C ATOM 170 O PHE A 31 -7.220 -16.215 -9.446 1.00 40.11 O ATOM 171 CB PHE A 31 -8.753 -16.951 -6.495 1.00 64.03 C ATOM 172 CG PHE A 31 -8.977 -16.077 -5.295 1.00 1.32 C ATOM 173 CD1 PHE A 31 -10.131 -15.318 -5.180 1.00 24.14 C ATOM 174 CD2 PHE A 31 -8.034 -16.013 -4.282 1.00 3.12 C ATOM 175 CE1 PHE A 31 -10.340 -14.513 -4.076 1.00 14.30 C ATOM 176 CE2 PHE A 31 -8.238 -15.210 -3.176 1.00 12.22 C ATOM 177 CZ PHE A 31 -9.392 -14.458 -3.073 1.00 53.23 C ATOM 0 H PHE A 31 -11.005 -16.707 -7.471 1.00 41.11 H new ATOM 0 HA PHE A 31 -8.716 -15.186 -7.722 1.00 11.11 H new ATOM 0 HB2 PHE A 31 -9.413 -17.816 -6.433 1.00 64.03 H new ATOM 0 HB3 PHE A 31 -7.731 -17.328 -6.474 1.00 64.03 H new ATOM 0 HD1 PHE A 31 -10.875 -15.356 -5.962 1.00 24.14 H new ATOM 0 HD2 PHE A 31 -7.129 -16.597 -4.358 1.00 3.12 H new ATOM 0 HE1 PHE A 31 -11.244 -13.927 -3.998 1.00 14.30 H new ATOM 0 HE2 PHE A 31 -7.496 -15.170 -2.393 1.00 12.22 H new ATOM 0 HZ PHE A 31 -9.553 -13.829 -2.210 1.00 53.23 H new ATOM 187 N TRP A 32 -8.410 -18.113 -9.244 1.00 21.13 N ATOM 188 CA TRP A 32 -7.656 -18.824 -10.270 1.00 23.11 C ATOM 189 C TRP A 32 -7.614 -18.024 -11.567 1.00 73.33 C ATOM 190 O TRP A 32 -6.546 -17.802 -12.136 1.00 60.22 O ATOM 191 CB TRP A 32 -8.273 -20.200 -10.524 1.00 71.21 C ATOM 192 CG TRP A 32 -7.390 -21.109 -11.324 1.00 41.14 C ATOM 193 CD1 TRP A 32 -6.094 -21.442 -11.051 1.00 42.42 C ATOM 194 CD2 TRP A 32 -7.738 -21.799 -12.530 1.00 21.25 C ATOM 195 NE1 TRP A 32 -5.615 -22.297 -12.014 1.00 31.20 N ATOM 196 CE2 TRP A 32 -6.605 -22.533 -12.931 1.00 45.25 C ATOM 197 CE3 TRP A 32 -8.897 -21.871 -13.307 1.00 1.22 C ATOM 198 CZ2 TRP A 32 -6.599 -23.325 -14.076 1.00 63.24 C ATOM 199 CZ3 TRP A 32 -8.889 -22.657 -14.443 1.00 34.40 C ATOM 200 CH2 TRP A 32 -7.747 -23.377 -14.819 1.00 11.33 C ATOM 0 H TRP A 32 -9.157 -18.659 -8.815 1.00 21.13 H new ATOM 0 HA TRP A 32 -6.635 -18.953 -9.912 1.00 23.11 H new ATOM 0 HB2 TRP A 32 -8.497 -20.672 -9.567 1.00 71.21 H new ATOM 0 HB3 TRP A 32 -9.221 -20.074 -11.047 1.00 71.21 H new ATOM 0 HD1 TRP A 32 -5.529 -21.086 -10.203 1.00 42.42 H new ATOM 0 HE1 TRP A 32 -4.675 -22.692 -12.042 1.00 31.20 H new ATOM 0 HE3 TRP A 32 -9.783 -21.322 -13.025 1.00 1.22 H new ATOM 0 HZ2 TRP A 32 -5.719 -23.879 -14.368 1.00 63.24 H new ATOM 0 HZ3 TRP A 32 -9.779 -22.718 -15.052 1.00 34.40 H new ATOM 0 HH2 TRP A 32 -7.773 -23.984 -15.712 1.00 11.33 H new ATOM 211 N ALA A 33 -8.784 -17.594 -12.030 1.00 5.13 N ATOM 212 CA ALA A 33 -8.879 -16.817 -13.259 1.00 55.31 C ATOM 213 C ALA A 33 -8.007 -15.568 -13.188 1.00 54.25 C ATOM 214 O ALA A 33 -7.136 -15.359 -14.033 1.00 61.52 O ATOM 215 CB ALA A 33 -10.327 -16.437 -13.532 1.00 34.02 C ATOM 0 H ALA A 33 -9.678 -17.771 -11.572 1.00 5.13 H new ATOM 0 HA ALA A 33 -8.516 -17.436 -14.080 1.00 55.31 H new ATOM 0 HB1 ALA A 33 -10.383 -15.857 -14.453 1.00 34.02 H new ATOM 0 HB2 ALA A 33 -10.927 -17.341 -13.635 1.00 34.02 H new ATOM 0 HB3 ALA A 33 -10.709 -15.841 -12.704 1.00 34.02 H new ATOM 221 N ILE A 34 -8.248 -14.740 -12.177 1.00 71.23 N ATOM 222 CA ILE A 34 -7.484 -13.512 -11.997 1.00 62.13 C ATOM 223 C ILE A 34 -5.987 -13.800 -11.938 1.00 55.40 C ATOM 224 O ILE A 34 -5.172 -12.989 -12.376 1.00 5.04 O ATOM 225 CB ILE A 34 -7.904 -12.770 -10.715 1.00 21.54 C ATOM 226 CG1 ILE A 34 -9.396 -12.433 -10.760 1.00 23.44 C ATOM 227 CG2 ILE A 34 -7.075 -11.507 -10.538 1.00 20.13 C ATOM 228 CD1 ILE A 34 -9.990 -12.137 -9.400 1.00 64.33 C ATOM 0 H ILE A 34 -8.966 -14.897 -11.470 1.00 71.23 H new ATOM 0 HA ILE A 34 -7.696 -12.879 -12.859 1.00 62.13 H new ATOM 0 HB ILE A 34 -7.724 -13.422 -9.860 1.00 21.54 H new ATOM 0 HG12 ILE A 34 -9.546 -11.570 -11.409 1.00 23.44 H new ATOM 0 HG13 ILE A 34 -9.935 -13.267 -11.209 1.00 23.44 H new ATOM 0 HG21 ILE A 34 -7.384 -10.994 -9.627 1.00 20.13 H new ATOM 0 HG22 ILE A 34 -6.020 -11.771 -10.465 1.00 20.13 H new ATOM 0 HG23 ILE A 34 -7.226 -10.850 -11.394 1.00 20.13 H new ATOM 0 HD11 ILE A 34 -11.050 -11.907 -9.508 1.00 64.33 H new ATOM 0 HD12 ILE A 34 -9.872 -13.007 -8.754 1.00 64.33 H new ATOM 0 HD13 ILE A 34 -9.477 -11.284 -8.957 1.00 64.33 H new ATOM 240 N ALA A 35 -5.635 -14.960 -11.395 1.00 65.21 N ATOM 241 CA ALA A 35 -4.237 -15.357 -11.282 1.00 45.01 C ATOM 242 C ALA A 35 -3.617 -15.584 -12.657 1.00 53.41 C ATOM 243 O ALA A 35 -2.635 -14.937 -13.019 1.00 0.40 O ATOM 244 CB ALA A 35 -4.111 -16.612 -10.431 1.00 73.24 C ATOM 0 H ALA A 35 -6.298 -15.642 -11.026 1.00 65.21 H new ATOM 0 HA ALA A 35 -3.694 -14.546 -10.797 1.00 45.01 H new ATOM 0 HB1 ALA A 35 -3.062 -16.897 -10.355 1.00 73.24 H new ATOM 0 HB2 ALA A 35 -4.507 -16.417 -9.434 1.00 73.24 H new ATOM 0 HB3 ALA A 35 -4.674 -17.423 -10.893 1.00 73.24 H new ATOM 250 N GLN A 36 -4.198 -16.506 -13.418 1.00 1.03 N ATOM 251 CA GLN A 36 -3.701 -16.818 -14.753 1.00 21.15 C ATOM 252 C GLN A 36 -3.757 -15.590 -15.655 1.00 72.12 C ATOM 253 O GLN A 36 -2.986 -15.472 -16.608 1.00 12.03 O ATOM 254 CB GLN A 36 -4.515 -17.957 -15.369 1.00 42.14 C ATOM 255 CG GLN A 36 -6.007 -17.672 -15.436 1.00 24.13 C ATOM 256 CD GLN A 36 -6.786 -18.794 -16.092 1.00 74.21 C ATOM 257 OE1 GLN A 36 -6.767 -18.947 -17.314 1.00 14.12 O ATOM 258 NE2 GLN A 36 -7.478 -19.587 -15.282 1.00 70.43 N ATOM 0 H GLN A 36 -5.013 -17.050 -13.133 1.00 1.03 H new ATOM 0 HA GLN A 36 -2.661 -17.132 -14.663 1.00 21.15 H new ATOM 0 HB2 GLN A 36 -4.146 -18.153 -16.376 1.00 42.14 H new ATOM 0 HB3 GLN A 36 -4.353 -18.864 -14.787 1.00 42.14 H new ATOM 0 HG2 GLN A 36 -6.388 -17.511 -14.427 1.00 24.13 H new ATOM 0 HG3 GLN A 36 -6.172 -16.748 -15.990 1.00 24.13 H new ATOM 0 HE21 GLN A 36 -7.465 -19.424 -14.275 1.00 70.43 H new ATOM 0 HE22 GLN A 36 -8.022 -20.359 -15.667 1.00 70.43 H new ATOM 267 N ARG A 37 -4.675 -14.679 -15.349 1.00 42.45 N ATOM 268 CA ARG A 37 -4.833 -13.460 -16.134 1.00 64.24 C ATOM 269 C ARG A 37 -3.766 -12.434 -15.765 1.00 44.33 C ATOM 270 O ARG A 37 -2.864 -12.150 -16.554 1.00 60.01 O ATOM 271 CB ARG A 37 -6.225 -12.865 -15.917 1.00 40.11 C ATOM 272 CG ARG A 37 -6.533 -11.688 -16.828 1.00 10.21 C ATOM 273 CD ARG A 37 -6.420 -12.074 -18.294 1.00 45.55 C ATOM 274 NE ARG A 37 -5.064 -11.889 -18.806 1.00 20.14 N ATOM 275 CZ ARG A 37 -4.630 -12.417 -19.945 1.00 11.50 C ATOM 276 NH1 ARG A 37 -5.441 -13.157 -20.688 1.00 52.30 N ATOM 277 NH2 ARG A 37 -3.382 -12.203 -20.343 1.00 75.45 N ATOM 0 H ARG A 37 -5.320 -14.762 -14.564 1.00 42.45 H new ATOM 0 HA ARG A 37 -4.716 -13.718 -17.187 1.00 64.24 H new ATOM 0 HB2 ARG A 37 -6.972 -13.642 -16.077 1.00 40.11 H new ATOM 0 HB3 ARG A 37 -6.316 -12.544 -14.879 1.00 40.11 H new ATOM 0 HG2 ARG A 37 -7.539 -11.322 -16.624 1.00 10.21 H new ATOM 0 HG3 ARG A 37 -5.846 -10.870 -16.612 1.00 10.21 H new ATOM 0 HD2 ARG A 37 -6.715 -13.116 -18.418 1.00 45.55 H new ATOM 0 HD3 ARG A 37 -7.114 -11.473 -18.882 1.00 45.55 H new ATOM 0 HE ARG A 37 -4.415 -11.323 -18.259 1.00 20.14 H new ATOM 0 HH11 ARG A 37 -6.401 -13.322 -20.386 1.00 52.30 H new ATOM 0 HH12 ARG A 37 -5.105 -13.561 -21.562 1.00 52.30 H new ATOM 0 HH21 ARG A 37 -2.756 -11.633 -19.774 1.00 75.45 H new ATOM 0 HH22 ARG A 37 -3.049 -12.609 -21.218 1.00 75.45 H new ATOM 291 N ARG A 38 -3.875 -11.880 -14.562 1.00 74.30 N ATOM 292 CA ARG A 38 -2.921 -10.884 -14.089 1.00 74.33 C ATOM 293 C ARG A 38 -1.490 -11.391 -14.234 1.00 25.32 C ATOM 294 O ARG A 38 -0.560 -10.609 -14.427 1.00 62.34 O ATOM 295 CB ARG A 38 -3.203 -10.530 -12.628 1.00 34.30 C ATOM 296 CG ARG A 38 -4.578 -9.921 -12.403 1.00 64.11 C ATOM 297 CD ARG A 38 -4.548 -8.409 -12.557 1.00 54.50 C ATOM 298 NE ARG A 38 -3.709 -7.772 -11.546 1.00 13.54 N ATOM 299 CZ ARG A 38 -3.430 -6.473 -11.534 1.00 41.11 C ATOM 300 NH1 ARG A 38 -3.921 -5.678 -12.474 1.00 42.55 N ATOM 301 NH2 ARG A 38 -2.658 -5.967 -10.580 1.00 75.42 N ATOM 0 H ARG A 38 -4.615 -12.104 -13.897 1.00 74.30 H new ATOM 0 HA ARG A 38 -3.035 -9.989 -14.701 1.00 74.33 H new ATOM 0 HB2 ARG A 38 -3.110 -11.430 -12.020 1.00 34.30 H new ATOM 0 HB3 ARG A 38 -2.444 -9.830 -12.279 1.00 34.30 H new ATOM 0 HG2 ARG A 38 -5.287 -10.346 -13.114 1.00 64.11 H new ATOM 0 HG3 ARG A 38 -4.933 -10.179 -11.405 1.00 64.11 H new ATOM 0 HD2 ARG A 38 -4.177 -8.153 -13.549 1.00 54.50 H new ATOM 0 HD3 ARG A 38 -5.563 -8.017 -12.485 1.00 54.50 H new ATOM 0 HE ARG A 38 -3.315 -8.356 -10.808 1.00 13.54 H new ATOM 0 HH11 ARG A 38 -4.515 -6.063 -13.209 1.00 42.55 H new ATOM 0 HH12 ARG A 38 -3.705 -4.681 -12.463 1.00 42.55 H new ATOM 0 HH21 ARG A 38 -2.278 -6.576 -9.855 1.00 75.42 H new ATOM 0 HH22 ARG A 38 -2.445 -4.970 -10.572 1.00 75.42 H new ATOM 315 N GLY A 39 -1.320 -12.707 -14.138 1.00 12.33 N ATOM 316 CA GLY A 39 0.001 -13.295 -14.259 1.00 74.54 C ATOM 317 C GLY A 39 0.571 -13.721 -12.921 1.00 62.11 C ATOM 318 O GLY A 39 1.785 -13.863 -12.771 1.00 64.04 O ATOM 0 H GLY A 39 -2.074 -13.376 -13.979 1.00 12.33 H new ATOM 0 HA2 GLY A 39 -0.049 -14.160 -14.921 1.00 74.54 H new ATOM 0 HA3 GLY A 39 0.674 -12.575 -14.725 1.00 74.54 H new ATOM 322 N THR A 40 -0.306 -13.924 -11.943 1.00 30.20 N ATOM 323 CA THR A 40 0.117 -14.333 -10.610 1.00 20.14 C ATOM 324 C THR A 40 -0.470 -15.690 -10.238 1.00 71.05 C ATOM 325 O THR A 40 -1.286 -16.248 -10.973 1.00 42.23 O ATOM 326 CB THR A 40 -0.298 -13.299 -9.547 1.00 13.44 C ATOM 327 OG1 THR A 40 0.314 -13.613 -8.291 1.00 70.51 O ATOM 328 CG2 THR A 40 -1.811 -13.266 -9.385 1.00 64.11 C ATOM 0 H THR A 40 -1.314 -13.812 -12.049 1.00 30.20 H new ATOM 0 HA THR A 40 1.204 -14.404 -10.632 1.00 20.14 H new ATOM 0 HB THR A 40 0.038 -12.317 -9.879 1.00 13.44 H new ATOM 0 HG1 THR A 40 1.245 -13.882 -8.439 1.00 70.51 H new ATOM 0 HG21 THR A 40 -2.080 -12.528 -8.629 1.00 64.11 H new ATOM 0 HG22 THR A 40 -2.273 -12.997 -10.335 1.00 64.11 H new ATOM 0 HG23 THR A 40 -2.165 -14.249 -9.075 1.00 64.11 H new ATOM 336 N THR A 41 -0.051 -16.218 -9.092 1.00 42.34 N ATOM 337 CA THR A 41 -0.535 -17.510 -8.624 1.00 21.03 C ATOM 338 C THR A 41 -1.520 -17.343 -7.473 1.00 33.53 C ATOM 339 O THR A 41 -1.391 -16.429 -6.659 1.00 22.24 O ATOM 340 CB THR A 41 0.626 -18.412 -8.164 1.00 42.21 C ATOM 341 OG1 THR A 41 1.692 -17.610 -7.642 1.00 71.32 O ATOM 342 CG2 THR A 41 1.141 -19.261 -9.317 1.00 10.24 C ATOM 0 H THR A 41 0.623 -15.770 -8.471 1.00 42.34 H new ATOM 0 HA THR A 41 -1.040 -17.982 -9.466 1.00 21.03 H new ATOM 0 HB THR A 41 0.255 -19.075 -7.383 1.00 42.21 H new ATOM 0 HG1 THR A 41 2.426 -18.191 -7.350 1.00 71.32 H new ATOM 0 HG21 THR A 41 1.960 -19.890 -8.968 1.00 10.24 H new ATOM 0 HG22 THR A 41 0.335 -19.891 -9.693 1.00 10.24 H new ATOM 0 HG23 THR A 41 1.497 -18.611 -10.117 1.00 10.24 H new ATOM 350 N VAL A 42 -2.506 -18.233 -7.410 1.00 22.51 N ATOM 351 CA VAL A 42 -3.513 -18.186 -6.357 1.00 2.04 C ATOM 352 C VAL A 42 -2.864 -18.116 -4.979 1.00 31.32 C ATOM 353 O VAL A 42 -3.371 -17.451 -4.076 1.00 1.44 O ATOM 354 CB VAL A 42 -4.442 -19.413 -6.413 1.00 12.10 C ATOM 355 CG1 VAL A 42 -3.639 -20.698 -6.280 1.00 12.24 C ATOM 356 CG2 VAL A 42 -5.507 -19.325 -5.330 1.00 5.23 C ATOM 0 H VAL A 42 -2.628 -18.995 -8.076 1.00 22.51 H new ATOM 0 HA VAL A 42 -4.103 -17.285 -6.524 1.00 2.04 H new ATOM 0 HB VAL A 42 -4.942 -19.424 -7.382 1.00 12.10 H new ATOM 0 HG11 VAL A 42 -4.313 -21.554 -6.322 1.00 12.24 H new ATOM 0 HG12 VAL A 42 -2.919 -20.763 -7.095 1.00 12.24 H new ATOM 0 HG13 VAL A 42 -3.110 -20.699 -5.327 1.00 12.24 H new ATOM 0 HG21 VAL A 42 -6.154 -20.200 -5.384 1.00 5.23 H new ATOM 0 HG22 VAL A 42 -5.029 -19.288 -4.351 1.00 5.23 H new ATOM 0 HG23 VAL A 42 -6.102 -18.424 -5.477 1.00 5.23 H new ATOM 366 N ASP A 43 -1.740 -18.808 -4.825 1.00 12.53 N ATOM 367 CA ASP A 43 -1.020 -18.823 -3.557 1.00 30.33 C ATOM 368 C ASP A 43 -0.643 -17.408 -3.128 1.00 74.50 C ATOM 369 O ASP A 43 -0.855 -17.020 -1.979 1.00 50.53 O ATOM 370 CB ASP A 43 0.237 -19.687 -3.671 1.00 3.34 C ATOM 371 CG ASP A 43 -0.038 -21.151 -3.389 1.00 53.35 C ATOM 372 OD1 ASP A 43 0.364 -21.634 -2.310 1.00 64.25 O ATOM 373 OD2 ASP A 43 -0.658 -21.813 -4.248 1.00 45.11 O ATOM 0 H ASP A 43 -1.308 -19.365 -5.562 1.00 12.53 H new ATOM 0 HA ASP A 43 -1.677 -19.249 -2.799 1.00 30.33 H new ATOM 0 HB2 ASP A 43 0.654 -19.585 -4.673 1.00 3.34 H new ATOM 0 HB3 ASP A 43 0.990 -19.321 -2.973 1.00 3.34 H new ATOM 378 N VAL A 44 -0.083 -16.643 -4.059 1.00 41.10 N ATOM 379 CA VAL A 44 0.323 -15.271 -3.778 1.00 24.21 C ATOM 380 C VAL A 44 -0.889 -14.371 -3.565 1.00 61.55 C ATOM 381 O VAL A 44 -0.923 -13.569 -2.632 1.00 42.12 O ATOM 382 CB VAL A 44 1.183 -14.695 -4.919 1.00 73.31 C ATOM 383 CG1 VAL A 44 1.667 -13.297 -4.569 1.00 44.43 C ATOM 384 CG2 VAL A 44 2.356 -15.616 -5.219 1.00 2.24 C ATOM 0 H VAL A 44 0.100 -16.950 -5.014 1.00 41.10 H new ATOM 0 HA VAL A 44 0.916 -15.298 -2.864 1.00 24.21 H new ATOM 0 HB VAL A 44 0.567 -14.626 -5.816 1.00 73.31 H new ATOM 0 HG11 VAL A 44 2.273 -12.906 -5.387 1.00 44.43 H new ATOM 0 HG12 VAL A 44 0.809 -12.644 -4.409 1.00 44.43 H new ATOM 0 HG13 VAL A 44 2.267 -13.337 -3.660 1.00 44.43 H new ATOM 0 HG21 VAL A 44 2.953 -15.194 -6.027 1.00 2.24 H new ATOM 0 HG22 VAL A 44 2.974 -15.720 -4.327 1.00 2.24 H new ATOM 0 HG23 VAL A 44 1.982 -16.596 -5.517 1.00 2.24 H new ATOM 394 N ILE A 45 -1.882 -14.511 -4.437 1.00 33.13 N ATOM 395 CA ILE A 45 -3.098 -13.712 -4.343 1.00 44.13 C ATOM 396 C ILE A 45 -3.713 -13.808 -2.951 1.00 52.05 C ATOM 397 O ILE A 45 -4.089 -12.798 -2.358 1.00 3.42 O ATOM 398 CB ILE A 45 -4.142 -14.152 -5.386 1.00 13.01 C ATOM 399 CG1 ILE A 45 -3.566 -14.034 -6.798 1.00 72.14 C ATOM 400 CG2 ILE A 45 -5.408 -13.318 -5.253 1.00 5.34 C ATOM 401 CD1 ILE A 45 -4.391 -14.744 -7.849 1.00 33.23 C ATOM 0 H ILE A 45 -1.869 -15.170 -5.216 1.00 33.13 H new ATOM 0 HA ILE A 45 -2.813 -12.679 -4.540 1.00 44.13 H new ATOM 0 HB ILE A 45 -4.397 -15.196 -5.204 1.00 13.01 H new ATOM 0 HG12 ILE A 45 -3.486 -12.979 -7.062 1.00 72.14 H new ATOM 0 HG13 ILE A 45 -2.555 -14.442 -6.805 1.00 72.14 H new ATOM 0 HG21 ILE A 45 -6.136 -13.641 -5.997 1.00 5.34 H new ATOM 0 HG22 ILE A 45 -5.826 -13.448 -4.255 1.00 5.34 H new ATOM 0 HG23 ILE A 45 -5.169 -12.266 -5.412 1.00 5.34 H new ATOM 0 HD11 ILE A 45 -3.923 -14.618 -8.825 1.00 33.23 H new ATOM 0 HD12 ILE A 45 -4.450 -15.806 -7.609 1.00 33.23 H new ATOM 0 HD13 ILE A 45 -5.395 -14.321 -7.871 1.00 33.23 H new ATOM 413 N GLN A 46 -3.811 -15.029 -2.437 1.00 33.51 N ATOM 414 CA GLN A 46 -4.380 -15.257 -1.114 1.00 13.02 C ATOM 415 C GLN A 46 -3.418 -14.801 -0.022 1.00 15.52 C ATOM 416 O GLN A 46 -3.828 -14.185 0.962 1.00 11.32 O ATOM 417 CB GLN A 46 -4.716 -16.738 -0.928 1.00 13.43 C ATOM 418 CG GLN A 46 -6.022 -17.153 -1.586 1.00 13.52 C ATOM 419 CD GLN A 46 -6.317 -18.630 -1.418 1.00 21.12 C ATOM 420 OE1 GLN A 46 -6.642 -19.324 -2.382 1.00 42.40 O ATOM 421 NE2 GLN A 46 -6.204 -19.121 -0.189 1.00 14.50 N ATOM 0 H GLN A 46 -3.504 -15.876 -2.916 1.00 33.51 H new ATOM 0 HA GLN A 46 -5.296 -14.671 -1.034 1.00 13.02 H new ATOM 0 HB2 GLN A 46 -3.905 -17.340 -1.338 1.00 13.43 H new ATOM 0 HB3 GLN A 46 -4.770 -16.959 0.138 1.00 13.43 H new ATOM 0 HG2 GLN A 46 -6.840 -16.572 -1.159 1.00 13.52 H new ATOM 0 HG3 GLN A 46 -5.981 -16.913 -2.649 1.00 13.52 H new ATOM 0 HE21 GLN A 46 -5.932 -18.510 0.581 1.00 14.50 H new ATOM 0 HE22 GLN A 46 -6.389 -20.109 -0.015 1.00 14.50 H new ATOM 430 N SER A 47 -2.138 -15.107 -0.202 1.00 43.01 N ATOM 431 CA SER A 47 -1.118 -14.732 0.770 1.00 3.22 C ATOM 432 C SER A 47 -1.168 -13.235 1.060 1.00 43.33 C ATOM 433 O SER A 47 -0.998 -12.805 2.202 1.00 75.13 O ATOM 434 CB SER A 47 0.271 -15.118 0.258 1.00 4.33 C ATOM 435 OG SER A 47 1.288 -14.574 1.082 1.00 12.34 O ATOM 0 H SER A 47 -1.782 -15.614 -1.012 1.00 43.01 H new ATOM 0 HA SER A 47 -1.318 -15.271 1.696 1.00 3.22 H new ATOM 0 HB2 SER A 47 0.363 -16.204 0.230 1.00 4.33 H new ATOM 0 HB3 SER A 47 0.397 -14.761 -0.764 1.00 4.33 H new ATOM 0 HG SER A 47 2.166 -14.836 0.734 1.00 12.34 H new ATOM 441 N LEU A 48 -1.401 -12.445 0.018 1.00 52.35 N ATOM 442 CA LEU A 48 -1.474 -10.994 0.158 1.00 60.51 C ATOM 443 C LEU A 48 -2.703 -10.586 0.965 1.00 64.44 C ATOM 444 O LEU A 48 -2.723 -9.528 1.590 1.00 4.45 O ATOM 445 CB LEU A 48 -1.510 -10.330 -1.220 1.00 35.25 C ATOM 446 CG LEU A 48 -0.155 -9.956 -1.820 1.00 51.23 C ATOM 447 CD1 LEU A 48 -0.311 -9.549 -3.277 1.00 51.42 C ATOM 448 CD2 LEU A 48 0.493 -8.837 -1.018 1.00 51.43 C ATOM 0 H LEU A 48 -1.543 -12.784 -0.933 1.00 52.35 H new ATOM 0 HA LEU A 48 -0.585 -10.660 0.692 1.00 60.51 H new ATOM 0 HB2 LEU A 48 -2.018 -11.002 -1.912 1.00 35.25 H new ATOM 0 HB3 LEU A 48 -2.116 -9.427 -1.150 1.00 35.25 H new ATOM 0 HG LEU A 48 0.494 -10.830 -1.776 1.00 51.23 H new ATOM 0 HD11 LEU A 48 0.664 -9.286 -3.688 1.00 51.42 H new ATOM 0 HD12 LEU A 48 -0.732 -10.380 -3.844 1.00 51.42 H new ATOM 0 HD13 LEU A 48 -0.977 -8.689 -3.345 1.00 51.42 H new ATOM 0 HD21 LEU A 48 1.457 -8.584 -1.460 1.00 51.43 H new ATOM 0 HD22 LEU A 48 -0.153 -7.959 -1.030 1.00 51.43 H new ATOM 0 HD23 LEU A 48 0.640 -9.165 0.011 1.00 51.43 H new ATOM 460 N ASN A 49 -3.725 -11.436 0.946 1.00 1.52 N ATOM 461 CA ASN A 49 -4.957 -11.164 1.678 1.00 72.05 C ATOM 462 C ASN A 49 -5.278 -12.301 2.643 1.00 15.20 C ATOM 463 O ASN A 49 -6.189 -13.099 2.420 1.00 20.03 O ATOM 464 CB ASN A 49 -6.120 -10.964 0.703 1.00 45.30 C ATOM 465 CG ASN A 49 -5.831 -9.890 -0.328 1.00 41.03 C ATOM 466 OD1 ASN A 49 -6.278 -8.751 -0.196 1.00 53.33 O ATOM 467 ND2 ASN A 49 -5.080 -10.250 -1.363 1.00 2.14 N ATOM 0 H ASN A 49 -3.724 -12.317 0.433 1.00 1.52 H new ATOM 0 HA ASN A 49 -4.814 -10.250 2.255 1.00 72.05 H new ATOM 0 HB2 ASN A 49 -6.330 -11.905 0.195 1.00 45.30 H new ATOM 0 HB3 ASN A 49 -7.017 -10.696 1.261 1.00 45.30 H new ATOM 0 HD21 ASN A 49 -4.853 -9.571 -2.089 1.00 2.14 H new ATOM 0 HD22 ASN A 49 -4.731 -11.206 -1.432 1.00 2.14 H new ATOM 474 N PRO A 50 -4.514 -12.377 3.743 1.00 51.04 N ATOM 475 CA PRO A 50 -4.699 -13.411 4.765 1.00 21.10 C ATOM 476 C PRO A 50 -5.989 -13.221 5.556 1.00 42.43 C ATOM 477 O PRO A 50 -6.462 -14.141 6.221 1.00 54.04 O ATOM 478 CB PRO A 50 -3.482 -13.231 5.676 1.00 61.13 C ATOM 479 CG PRO A 50 -3.084 -11.806 5.499 1.00 62.43 C ATOM 480 CD PRO A 50 -3.411 -11.459 4.073 1.00 60.13 C ATOM 0 HA PRO A 50 -4.778 -14.406 4.328 1.00 21.10 H new ATOM 0 HB2 PRO A 50 -3.730 -13.447 6.715 1.00 61.13 H new ATOM 0 HB3 PRO A 50 -2.674 -13.906 5.395 1.00 61.13 H new ATOM 0 HG2 PRO A 50 -3.625 -11.161 6.191 1.00 62.43 H new ATOM 0 HG3 PRO A 50 -2.021 -11.670 5.700 1.00 62.43 H new ATOM 0 HD2 PRO A 50 -3.712 -10.416 3.972 1.00 60.13 H new ATOM 0 HD3 PRO A 50 -2.554 -11.608 3.416 1.00 60.13 H new ATOM 488 N GLY A 51 -6.553 -12.019 5.478 1.00 32.24 N ATOM 489 CA GLY A 51 -7.784 -11.730 6.192 1.00 64.33 C ATOM 490 C GLY A 51 -8.975 -12.469 5.616 1.00 60.45 C ATOM 491 O GLY A 51 -9.914 -12.807 6.337 1.00 42.31 O ATOM 0 H GLY A 51 -6.180 -11.241 4.934 1.00 32.24 H new ATOM 0 HA2 GLY A 51 -7.664 -12.001 7.241 1.00 64.33 H new ATOM 0 HA3 GLY A 51 -7.976 -10.657 6.160 1.00 64.33 H new ATOM 495 N VAL A 52 -8.939 -12.721 4.311 1.00 61.02 N ATOM 496 CA VAL A 52 -10.024 -13.424 3.638 1.00 72.44 C ATOM 497 C VAL A 52 -9.595 -14.827 3.221 1.00 51.44 C ATOM 498 O VAL A 52 -8.404 -15.130 3.159 1.00 23.52 O ATOM 499 CB VAL A 52 -10.505 -12.655 2.393 1.00 43.02 C ATOM 500 CG1 VAL A 52 -11.232 -11.383 2.799 1.00 14.42 C ATOM 501 CG2 VAL A 52 -9.332 -12.339 1.477 1.00 51.13 C ATOM 0 H VAL A 52 -8.170 -12.448 3.699 1.00 61.02 H new ATOM 0 HA VAL A 52 -10.845 -13.495 4.351 1.00 72.44 H new ATOM 0 HB VAL A 52 -11.205 -13.286 1.845 1.00 43.02 H new ATOM 0 HG11 VAL A 52 -11.564 -10.853 1.906 1.00 14.42 H new ATOM 0 HG12 VAL A 52 -12.096 -11.638 3.413 1.00 14.42 H new ATOM 0 HG13 VAL A 52 -10.557 -10.745 3.370 1.00 14.42 H new ATOM 0 HG21 VAL A 52 -9.689 -11.796 0.602 1.00 51.13 H new ATOM 0 HG22 VAL A 52 -8.606 -11.727 2.013 1.00 51.13 H new ATOM 0 HG23 VAL A 52 -8.859 -13.268 1.159 1.00 51.13 H new ATOM 511 N VAL A 53 -10.574 -15.679 2.934 1.00 54.51 N ATOM 512 CA VAL A 53 -10.299 -17.049 2.521 1.00 64.34 C ATOM 513 C VAL A 53 -11.289 -17.513 1.458 1.00 1.32 C ATOM 514 O VAL A 53 -12.402 -16.999 1.345 1.00 1.30 O ATOM 515 CB VAL A 53 -10.355 -18.018 3.717 1.00 62.24 C ATOM 516 CG1 VAL A 53 -9.084 -17.917 4.546 1.00 21.01 C ATOM 517 CG2 VAL A 53 -11.582 -17.739 4.571 1.00 53.03 C ATOM 0 H VAL A 53 -11.565 -15.444 2.980 1.00 54.51 H new ATOM 0 HA VAL A 53 -9.292 -17.057 2.103 1.00 64.34 H new ATOM 0 HB VAL A 53 -10.431 -19.036 3.335 1.00 62.24 H new ATOM 0 HG11 VAL A 53 -9.142 -18.609 5.386 1.00 21.01 H new ATOM 0 HG12 VAL A 53 -8.224 -18.170 3.926 1.00 21.01 H new ATOM 0 HG13 VAL A 53 -8.974 -16.899 4.921 1.00 21.01 H new ATOM 0 HG21 VAL A 53 -11.606 -18.433 5.411 1.00 53.03 H new ATOM 0 HG22 VAL A 53 -11.540 -16.716 4.946 1.00 53.03 H new ATOM 0 HG23 VAL A 53 -12.481 -17.868 3.969 1.00 53.03 H new ATOM 527 N PRO A 54 -10.877 -18.508 0.660 1.00 60.54 N ATOM 528 CA PRO A 54 -11.714 -19.065 -0.408 1.00 45.40 C ATOM 529 C PRO A 54 -12.896 -19.859 0.136 1.00 1.13 C ATOM 530 O PRO A 54 -13.897 -20.055 -0.554 1.00 42.21 O ATOM 531 CB PRO A 54 -10.755 -19.985 -1.167 1.00 24.53 C ATOM 532 CG PRO A 54 -9.718 -20.361 -0.165 1.00 30.21 C ATOM 533 CD PRO A 54 -9.563 -19.169 0.738 1.00 40.43 C ATOM 0 HA PRO A 54 -12.157 -18.285 -1.027 1.00 45.40 H new ATOM 0 HB2 PRO A 54 -11.271 -20.865 -1.551 1.00 24.53 H new ATOM 0 HB3 PRO A 54 -10.312 -19.476 -2.023 1.00 24.53 H new ATOM 0 HG2 PRO A 54 -10.023 -21.242 0.400 1.00 30.21 H new ATOM 0 HG3 PRO A 54 -8.775 -20.606 -0.653 1.00 30.21 H new ATOM 0 HD2 PRO A 54 -9.323 -19.467 1.759 1.00 40.43 H new ATOM 0 HD3 PRO A 54 -8.762 -18.511 0.401 1.00 40.43 H new ATOM 541 N THR A 55 -12.775 -20.315 1.379 1.00 11.44 N ATOM 542 CA THR A 55 -13.833 -21.088 2.016 1.00 34.21 C ATOM 543 C THR A 55 -15.110 -20.266 2.151 1.00 72.31 C ATOM 544 O THR A 55 -16.204 -20.748 1.854 1.00 43.42 O ATOM 545 CB THR A 55 -13.406 -21.584 3.410 1.00 1.25 C ATOM 546 OG1 THR A 55 -12.000 -21.855 3.424 1.00 1.12 O ATOM 547 CG2 THR A 55 -14.173 -22.839 3.797 1.00 13.14 C ATOM 0 H THR A 55 -11.954 -20.162 1.964 1.00 11.44 H new ATOM 0 HA THR A 55 -14.024 -21.949 1.375 1.00 34.21 H new ATOM 0 HB THR A 55 -13.632 -20.802 4.134 1.00 1.25 H new ATOM 0 HG1 THR A 55 -11.736 -22.168 4.314 1.00 1.12 H new ATOM 0 HG21 THR A 55 -13.854 -23.170 4.785 1.00 13.14 H new ATOM 0 HG22 THR A 55 -15.241 -22.622 3.814 1.00 13.14 H new ATOM 0 HG23 THR A 55 -13.974 -23.626 3.069 1.00 13.14 H new ATOM 555 N ARG A 56 -14.964 -19.024 2.600 1.00 50.01 N ATOM 556 CA ARG A 56 -16.107 -18.135 2.774 1.00 24.33 C ATOM 557 C ARG A 56 -15.959 -16.885 1.912 1.00 12.24 C ATOM 558 O ARG A 56 -15.926 -15.765 2.425 1.00 60.05 O ATOM 559 CB ARG A 56 -16.252 -17.740 4.245 1.00 54.22 C ATOM 560 CG ARG A 56 -14.945 -17.319 4.895 1.00 45.21 C ATOM 561 CD ARG A 56 -15.122 -17.050 6.381 1.00 33.20 C ATOM 562 NE ARG A 56 -15.062 -18.278 7.170 1.00 12.41 N ATOM 563 CZ ARG A 56 -15.273 -18.320 8.481 1.00 55.31 C ATOM 564 NH1 ARG A 56 -15.558 -17.208 9.146 1.00 64.51 N ATOM 565 NH2 ARG A 56 -15.201 -19.475 9.129 1.00 32.30 N ATOM 0 H ARG A 56 -14.066 -18.610 2.850 1.00 50.01 H new ATOM 0 HA ARG A 56 -17.003 -18.669 2.458 1.00 24.33 H new ATOM 0 HB2 ARG A 56 -16.967 -16.921 4.324 1.00 54.22 H new ATOM 0 HB3 ARG A 56 -16.669 -18.581 4.799 1.00 54.22 H new ATOM 0 HG2 ARG A 56 -14.198 -18.100 4.752 1.00 45.21 H new ATOM 0 HG3 ARG A 56 -14.566 -16.422 4.405 1.00 45.21 H new ATOM 0 HD2 ARG A 56 -14.347 -16.363 6.720 1.00 33.20 H new ATOM 0 HD3 ARG A 56 -16.080 -16.558 6.549 1.00 33.20 H new ATOM 0 HE ARG A 56 -14.846 -19.151 6.688 1.00 12.41 H new ATOM 0 HH11 ARG A 56 -15.616 -16.318 8.651 1.00 64.51 H new ATOM 0 HH12 ARG A 56 -15.720 -17.243 10.153 1.00 64.51 H new ATOM 0 HH21 ARG A 56 -14.983 -20.332 8.621 1.00 32.30 H new ATOM 0 HH22 ARG A 56 -15.363 -19.506 10.136 1.00 32.30 H new ATOM 579 N LEU A 57 -15.871 -17.083 0.602 1.00 64.02 N ATOM 580 CA LEU A 57 -15.726 -15.972 -0.332 1.00 51.31 C ATOM 581 C LEU A 57 -16.991 -15.120 -0.364 1.00 42.43 C ATOM 582 O LEU A 57 -18.103 -15.641 -0.292 1.00 72.01 O ATOM 583 CB LEU A 57 -15.415 -16.496 -1.735 1.00 3.20 C ATOM 584 CG LEU A 57 -14.795 -15.490 -2.705 1.00 42.42 C ATOM 585 CD1 LEU A 57 -13.290 -15.408 -2.500 1.00 11.51 C ATOM 586 CD2 LEU A 57 -15.119 -15.866 -4.144 1.00 21.35 C ATOM 0 H LEU A 57 -15.897 -18.003 0.162 1.00 64.02 H new ATOM 0 HA LEU A 57 -14.898 -15.349 0.008 1.00 51.31 H new ATOM 0 HB2 LEU A 57 -14.738 -17.345 -1.642 1.00 3.20 H new ATOM 0 HB3 LEU A 57 -16.339 -16.871 -2.174 1.00 3.20 H new ATOM 0 HG LEU A 57 -15.223 -14.508 -2.502 1.00 42.42 H new ATOM 0 HD11 LEU A 57 -12.866 -14.687 -3.199 1.00 11.51 H new ATOM 0 HD12 LEU A 57 -13.079 -15.091 -1.479 1.00 11.51 H new ATOM 0 HD13 LEU A 57 -12.845 -16.388 -2.675 1.00 11.51 H new ATOM 0 HD21 LEU A 57 -14.670 -15.139 -4.820 1.00 21.35 H new ATOM 0 HD22 LEU A 57 -14.720 -16.857 -4.360 1.00 21.35 H new ATOM 0 HD23 LEU A 57 -16.200 -15.872 -4.284 1.00 21.35 H new ATOM 598 N GLN A 58 -16.811 -13.807 -0.475 1.00 74.32 N ATOM 599 CA GLN A 58 -17.939 -12.884 -0.519 1.00 2.33 C ATOM 600 C GLN A 58 -17.820 -11.935 -1.707 1.00 22.01 C ATOM 601 O GLN A 58 -16.986 -11.029 -1.710 1.00 72.13 O ATOM 602 CB GLN A 58 -18.020 -12.083 0.782 1.00 22.01 C ATOM 603 CG GLN A 58 -18.410 -12.921 1.989 1.00 23.00 C ATOM 604 CD GLN A 58 -18.385 -12.130 3.282 1.00 42.53 C ATOM 605 OE1 GLN A 58 -18.332 -10.899 3.269 1.00 25.40 O ATOM 606 NE2 GLN A 58 -18.424 -12.833 4.408 1.00 44.44 N ATOM 0 H GLN A 58 -15.896 -13.360 -0.536 1.00 74.32 H new ATOM 0 HA GLN A 58 -18.851 -13.470 -0.635 1.00 2.33 H new ATOM 0 HB2 GLN A 58 -17.054 -11.615 0.972 1.00 22.01 H new ATOM 0 HB3 GLN A 58 -18.745 -11.278 0.659 1.00 22.01 H new ATOM 0 HG2 GLN A 58 -19.409 -13.328 1.836 1.00 23.00 H new ATOM 0 HG3 GLN A 58 -17.730 -13.769 2.073 1.00 23.00 H new ATOM 0 HE21 GLN A 58 -18.468 -13.851 4.372 1.00 44.44 H new ATOM 0 HE22 GLN A 58 -18.410 -12.355 5.309 1.00 44.44 H new ATOM 615 N VAL A 59 -18.659 -12.149 -2.715 1.00 62.45 N ATOM 616 CA VAL A 59 -18.648 -11.313 -3.910 1.00 32.13 C ATOM 617 C VAL A 59 -18.825 -9.842 -3.552 1.00 3.32 C ATOM 618 O VAL A 59 -19.664 -9.490 -2.724 1.00 0.30 O ATOM 619 CB VAL A 59 -19.758 -11.727 -4.895 1.00 24.13 C ATOM 620 CG1 VAL A 59 -19.621 -13.196 -5.266 1.00 14.11 C ATOM 621 CG2 VAL A 59 -21.129 -11.444 -4.301 1.00 53.44 C ATOM 0 H VAL A 59 -19.355 -12.894 -2.728 1.00 62.45 H new ATOM 0 HA VAL A 59 -17.678 -11.454 -4.387 1.00 32.13 H new ATOM 0 HB VAL A 59 -19.653 -11.136 -5.805 1.00 24.13 H new ATOM 0 HG11 VAL A 59 -20.413 -13.471 -5.962 1.00 14.11 H new ATOM 0 HG12 VAL A 59 -18.651 -13.364 -5.735 1.00 14.11 H new ATOM 0 HG13 VAL A 59 -19.700 -13.807 -4.367 1.00 14.11 H new ATOM 0 HG21 VAL A 59 -21.901 -11.742 -5.010 1.00 53.44 H new ATOM 0 HG22 VAL A 59 -21.248 -12.008 -3.376 1.00 53.44 H new ATOM 0 HG23 VAL A 59 -21.222 -10.378 -4.091 1.00 53.44 H new ATOM 631 N GLY A 60 -18.027 -8.985 -4.182 1.00 51.15 N ATOM 632 CA GLY A 60 -18.111 -7.561 -3.917 1.00 50.55 C ATOM 633 C GLY A 60 -17.140 -7.112 -2.843 1.00 71.42 C ATOM 634 O GLY A 60 -17.498 -6.331 -1.962 1.00 64.31 O ATOM 0 H GLY A 60 -17.324 -9.252 -4.871 1.00 51.15 H new ATOM 0 HA2 GLY A 60 -17.910 -7.011 -4.837 1.00 50.55 H new ATOM 0 HA3 GLY A 60 -19.127 -7.311 -3.611 1.00 50.55 H new ATOM 638 N GLN A 61 -15.909 -7.609 -2.915 1.00 74.35 N ATOM 639 CA GLN A 61 -14.885 -7.257 -1.939 1.00 52.54 C ATOM 640 C GLN A 61 -13.585 -6.863 -2.633 1.00 12.52 C ATOM 641 O GLN A 61 -13.159 -7.510 -3.589 1.00 42.43 O ATOM 642 CB GLN A 61 -14.634 -8.426 -0.986 1.00 75.54 C ATOM 643 CG GLN A 61 -14.205 -7.995 0.407 1.00 73.23 C ATOM 644 CD GLN A 61 -12.723 -8.197 0.649 1.00 24.54 C ATOM 645 OE1 GLN A 61 -12.251 -9.422 0.445 1.00 2.35 O flip ATOM 646 NE2 GLN A 61 -12.009 -7.264 1.016 1.00 3.23 N flip ATOM 0 H GLN A 61 -15.597 -8.256 -3.639 1.00 74.35 H new ATOM 0 HA GLN A 61 -15.244 -6.402 -1.366 1.00 52.54 H new ATOM 0 HB2 GLN A 61 -15.543 -9.022 -0.909 1.00 75.54 H new ATOM 0 HB3 GLN A 61 -13.865 -9.071 -1.411 1.00 75.54 H new ATOM 0 HG2 GLN A 61 -14.453 -6.943 0.550 1.00 73.23 H new ATOM 0 HG3 GLN A 61 -14.771 -8.559 1.148 1.00 73.23 H new ATOM 0 HE21 GLN A 61 -12.413 -6.339 1.161 1.00 3.23 H new ATOM 0 HE22 GLN A 61 -11.013 -7.416 1.175 1.00 3.23 H new ATOM 655 N VAL A 62 -12.959 -5.796 -2.144 1.00 72.42 N ATOM 656 CA VAL A 62 -11.707 -5.316 -2.716 1.00 71.24 C ATOM 657 C VAL A 62 -10.507 -5.933 -2.007 1.00 63.25 C ATOM 658 O VAL A 62 -10.400 -5.876 -0.782 1.00 42.41 O ATOM 659 CB VAL A 62 -11.605 -3.782 -2.635 1.00 2.44 C ATOM 660 CG1 VAL A 62 -11.762 -3.312 -1.197 1.00 13.45 C ATOM 661 CG2 VAL A 62 -10.284 -3.304 -3.218 1.00 64.25 C ATOM 0 H VAL A 62 -13.299 -5.248 -1.353 1.00 72.42 H new ATOM 0 HA VAL A 62 -11.701 -5.618 -3.763 1.00 71.24 H new ATOM 0 HB VAL A 62 -12.414 -3.350 -3.225 1.00 2.44 H new ATOM 0 HG11 VAL A 62 -11.687 -2.225 -1.159 1.00 13.45 H new ATOM 0 HG12 VAL A 62 -12.735 -3.622 -0.817 1.00 13.45 H new ATOM 0 HG13 VAL A 62 -10.976 -3.751 -0.583 1.00 13.45 H new ATOM 0 HG21 VAL A 62 -10.229 -2.217 -3.152 1.00 64.25 H new ATOM 0 HG22 VAL A 62 -9.459 -3.743 -2.658 1.00 64.25 H new ATOM 0 HG23 VAL A 62 -10.216 -3.608 -4.262 1.00 64.25 H new ATOM 671 N ILE A 63 -9.606 -6.523 -2.786 1.00 5.40 N ATOM 672 CA ILE A 63 -8.411 -7.149 -2.232 1.00 54.15 C ATOM 673 C ILE A 63 -7.146 -6.483 -2.761 1.00 42.34 C ATOM 674 O ILE A 63 -7.209 -5.581 -3.595 1.00 53.43 O ATOM 675 CB ILE A 63 -8.361 -8.653 -2.560 1.00 35.02 C ATOM 676 CG1 ILE A 63 -8.401 -8.869 -4.074 1.00 62.30 C ATOM 677 CG2 ILE A 63 -9.515 -9.380 -1.885 1.00 60.43 C ATOM 678 CD1 ILE A 63 -7.710 -10.139 -4.521 1.00 50.52 C ATOM 0 H ILE A 63 -9.681 -6.581 -3.802 1.00 5.40 H new ATOM 0 HA ILE A 63 -8.460 -7.022 -1.151 1.00 54.15 H new ATOM 0 HB ILE A 63 -7.426 -9.062 -2.179 1.00 35.02 H new ATOM 0 HG12 ILE A 63 -9.440 -8.895 -4.402 1.00 62.30 H new ATOM 0 HG13 ILE A 63 -7.933 -8.017 -4.567 1.00 62.30 H new ATOM 0 HG21 ILE A 63 -9.467 -10.442 -2.126 1.00 60.43 H new ATOM 0 HG22 ILE A 63 -9.445 -9.249 -0.805 1.00 60.43 H new ATOM 0 HG23 ILE A 63 -10.461 -8.970 -2.240 1.00 60.43 H new ATOM 0 HD11 ILE A 63 -7.777 -10.228 -5.605 1.00 50.52 H new ATOM 0 HD12 ILE A 63 -6.662 -10.107 -4.224 1.00 50.52 H new ATOM 0 HD13 ILE A 63 -8.193 -10.999 -4.056 1.00 50.52 H new ATOM 690 N ASN A 64 -5.996 -6.935 -2.271 1.00 73.42 N ATOM 691 CA ASN A 64 -4.715 -6.384 -2.695 1.00 45.05 C ATOM 692 C ASN A 64 -4.024 -7.314 -3.689 1.00 13.04 C ATOM 693 O ASN A 64 -4.092 -8.537 -3.561 1.00 3.40 O ATOM 694 CB ASN A 64 -3.810 -6.151 -1.484 1.00 23.42 C ATOM 695 CG ASN A 64 -3.986 -4.768 -0.888 1.00 4.00 C ATOM 696 OD1 ASN A 64 -3.183 -3.867 -1.134 1.00 74.25 O ATOM 697 ND2 ASN A 64 -5.039 -4.594 -0.099 1.00 11.54 N ATOM 0 H ASN A 64 -5.926 -7.682 -1.580 1.00 73.42 H new ATOM 0 HA ASN A 64 -4.904 -5.430 -3.188 1.00 45.05 H new ATOM 0 HB2 ASN A 64 -4.025 -6.901 -0.723 1.00 23.42 H new ATOM 0 HB3 ASN A 64 -2.770 -6.286 -1.780 1.00 23.42 H new ATOM 0 HD21 ASN A 64 -5.209 -3.685 0.331 1.00 11.54 H new ATOM 0 HD22 ASN A 64 -5.678 -5.369 0.077 1.00 11.54 H new ATOM 704 N VAL A 65 -3.360 -6.726 -4.678 1.00 42.23 N ATOM 705 CA VAL A 65 -2.655 -7.501 -5.693 1.00 13.33 C ATOM 706 C VAL A 65 -1.393 -6.782 -6.155 1.00 50.22 C ATOM 707 O VAL A 65 -1.271 -5.561 -6.052 1.00 41.01 O ATOM 708 CB VAL A 65 -3.553 -7.775 -6.914 1.00 14.23 C ATOM 709 CG1 VAL A 65 -4.540 -8.893 -6.611 1.00 45.32 C ATOM 710 CG2 VAL A 65 -4.283 -6.508 -7.333 1.00 13.31 C ATOM 0 H VAL A 65 -3.295 -5.715 -4.799 1.00 42.23 H new ATOM 0 HA VAL A 65 -2.381 -8.450 -5.233 1.00 13.33 H new ATOM 0 HB VAL A 65 -2.922 -8.095 -7.743 1.00 14.23 H new ATOM 0 HG11 VAL A 65 -5.166 -9.073 -7.485 1.00 45.32 H new ATOM 0 HG12 VAL A 65 -3.994 -9.803 -6.363 1.00 45.32 H new ATOM 0 HG13 VAL A 65 -5.168 -8.605 -5.768 1.00 45.32 H new ATOM 0 HG21 VAL A 65 -4.913 -6.720 -8.197 1.00 13.31 H new ATOM 0 HG22 VAL A 65 -4.904 -6.156 -6.509 1.00 13.31 H new ATOM 0 HG23 VAL A 65 -3.556 -5.739 -7.594 1.00 13.31 H new ATOM 720 N PRO A 66 -0.430 -7.555 -6.678 1.00 42.24 N ATOM 721 CA PRO A 66 0.841 -7.013 -7.169 1.00 30.13 C ATOM 722 C PRO A 66 0.669 -6.195 -8.444 1.00 30.10 C ATOM 723 O PRO A 66 0.441 -6.746 -9.521 1.00 62.23 O ATOM 724 CB PRO A 66 1.677 -8.265 -7.445 1.00 61.12 C ATOM 725 CG PRO A 66 0.677 -9.340 -7.700 1.00 43.31 C ATOM 726 CD PRO A 66 -0.508 -9.017 -6.832 1.00 65.31 C ATOM 0 HA PRO A 66 1.296 -6.329 -6.453 1.00 30.13 H new ATOM 0 HB2 PRO A 66 2.332 -8.122 -8.304 1.00 61.12 H new ATOM 0 HB3 PRO A 66 2.314 -8.511 -6.596 1.00 61.12 H new ATOM 0 HG2 PRO A 66 0.394 -9.368 -8.752 1.00 43.31 H new ATOM 0 HG3 PRO A 66 1.086 -10.320 -7.454 1.00 43.31 H new ATOM 0 HD2 PRO A 66 -1.444 -9.322 -7.300 1.00 65.31 H new ATOM 0 HD3 PRO A 66 -0.452 -9.526 -5.870 1.00 65.31 H new ATOM 734 N CYS A 67 0.780 -4.877 -8.315 1.00 74.14 N ATOM 735 CA CYS A 67 0.636 -3.982 -9.457 1.00 65.24 C ATOM 736 C CYS A 67 1.709 -4.262 -10.506 1.00 23.32 C ATOM 737 O CYS A 67 2.809 -4.710 -10.179 1.00 14.44 O ATOM 738 CB CYS A 67 0.721 -2.524 -9.003 1.00 14.23 C ATOM 739 SG CYS A 67 -0.218 -1.364 -10.048 1.00 3.21 S ATOM 0 H CYS A 67 0.969 -4.405 -7.431 1.00 74.14 H new ATOM 0 HA CYS A 67 -0.342 -4.160 -9.905 1.00 65.24 H new ATOM 0 HB2 CYS A 67 0.355 -2.452 -7.979 1.00 14.23 H new ATOM 0 HB3 CYS A 67 1.767 -2.219 -8.990 1.00 14.23 H new TER 744 CYS A 67