USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 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 180:sc= 0 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 USER MOD Single : A 36 GLN : amide:sc= 0.0133 X(o=0.013,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.959 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.23 K(o=1.2,f=-8.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00924 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 19 2.014 2.246 -1.238 1.00 15.13 N ATOM 2 CA MET A 19 1.012 2.094 -2.287 1.00 43.31 C ATOM 3 C MET A 19 1.546 1.233 -3.427 1.00 40.34 C ATOM 4 O MET A 19 2.718 1.324 -3.790 1.00 60.23 O ATOM 5 CB MET A 19 0.591 3.465 -2.821 1.00 73.53 C ATOM 6 CG MET A 19 -0.346 4.218 -1.891 1.00 22.24 C ATOM 7 SD MET A 19 -2.042 3.612 -1.973 1.00 31.14 S ATOM 8 CE MET A 19 -2.932 5.136 -2.277 1.00 2.33 C ATOM 0 HA MET A 19 0.143 1.597 -1.857 1.00 43.31 H new ATOM 0 HB2 MET A 19 1.482 4.069 -2.992 1.00 73.53 H new ATOM 0 HB3 MET A 19 0.104 3.335 -3.787 1.00 73.53 H new ATOM 0 HG2 MET A 19 0.018 4.131 -0.867 1.00 22.24 H new ATOM 0 HG3 MET A 19 -0.330 5.278 -2.146 1.00 22.24 H new ATOM 0 HE1 MET A 19 -3.999 4.925 -2.353 1.00 2.33 H new ATOM 0 HE2 MET A 19 -2.757 5.830 -1.455 1.00 2.33 H new ATOM 0 HE3 MET A 19 -2.583 5.581 -3.209 1.00 2.33 H new ATOM 18 N GLY A 20 0.678 0.397 -3.989 1.00 14.33 N ATOM 19 CA GLY A 20 1.081 -0.468 -5.082 1.00 1.04 C ATOM 20 C GLY A 20 -0.050 -0.739 -6.054 1.00 65.41 C ATOM 21 O GLY A 20 -0.512 0.166 -6.748 1.00 53.33 O ATOM 0 H GLY A 20 -0.298 0.304 -3.706 1.00 14.33 H new ATOM 0 HA2 GLY A 20 1.913 -0.009 -5.616 1.00 1.04 H new ATOM 0 HA3 GLY A 20 1.444 -1.413 -4.678 1.00 1.04 H new ATOM 25 N CYS A 21 -0.495 -1.990 -6.107 1.00 32.14 N ATOM 26 CA CYS A 21 -1.577 -2.380 -7.003 1.00 12.23 C ATOM 27 C CYS A 21 -2.647 -3.168 -6.253 1.00 32.02 C ATOM 28 O CYS A 21 -2.338 -4.004 -5.403 1.00 71.54 O ATOM 29 CB CYS A 21 -1.031 -3.216 -8.162 1.00 52.41 C ATOM 30 SG CYS A 21 -0.229 -2.236 -9.472 1.00 14.20 S ATOM 0 H CYS A 21 -0.123 -2.751 -5.540 1.00 32.14 H new ATOM 0 HA CYS A 21 -2.031 -1.472 -7.401 1.00 12.23 H new ATOM 0 HB2 CYS A 21 -0.312 -3.936 -7.770 1.00 52.41 H new ATOM 0 HB3 CYS A 21 -1.849 -3.788 -8.600 1.00 52.41 H new ATOM 35 N THR A 22 -3.909 -2.895 -6.573 1.00 25.51 N ATOM 36 CA THR A 22 -5.025 -3.577 -5.930 1.00 63.30 C ATOM 37 C THR A 22 -6.064 -4.017 -6.955 1.00 13.24 C ATOM 38 O THR A 22 -6.237 -3.377 -7.992 1.00 44.33 O ATOM 39 CB THR A 22 -5.703 -2.677 -4.880 1.00 75.34 C ATOM 40 OG1 THR A 22 -6.098 -1.438 -5.479 1.00 43.22 O ATOM 41 CG2 THR A 22 -4.767 -2.407 -3.712 1.00 41.15 C ATOM 0 H THR A 22 -4.183 -2.206 -7.274 1.00 25.51 H new ATOM 0 HA THR A 22 -4.615 -4.456 -5.433 1.00 63.30 H new ATOM 0 HB THR A 22 -6.585 -3.196 -4.504 1.00 75.34 H new ATOM 0 HG1 THR A 22 -6.530 -0.872 -4.805 1.00 43.22 H new ATOM 0 HG21 THR A 22 -5.268 -1.769 -2.984 1.00 41.15 H new ATOM 0 HG22 THR A 22 -4.493 -3.350 -3.240 1.00 41.15 H new ATOM 0 HG23 THR A 22 -3.868 -1.907 -4.074 1.00 41.15 H new ATOM 49 N TYR A 23 -6.755 -5.111 -6.657 1.00 73.51 N ATOM 50 CA TYR A 23 -7.778 -5.637 -7.554 1.00 24.41 C ATOM 51 C TYR A 23 -9.134 -5.700 -6.857 1.00 44.55 C ATOM 52 O TYR A 23 -9.216 -5.934 -5.651 1.00 72.54 O ATOM 53 CB TYR A 23 -7.383 -7.029 -8.051 1.00 23.00 C ATOM 54 CG TYR A 23 -8.449 -7.698 -8.889 1.00 1.30 C ATOM 55 CD1 TYR A 23 -9.386 -8.545 -8.310 1.00 3.14 C ATOM 56 CD2 TYR A 23 -8.519 -7.483 -10.260 1.00 31.51 C ATOM 57 CE1 TYR A 23 -10.361 -9.159 -9.071 1.00 53.32 C ATOM 58 CE2 TYR A 23 -9.492 -8.092 -11.029 1.00 51.30 C ATOM 59 CZ TYR A 23 -10.411 -8.929 -10.430 1.00 44.43 C ATOM 60 OH TYR A 23 -11.380 -9.538 -11.193 1.00 55.42 O ATOM 0 H TYR A 23 -6.626 -5.651 -5.802 1.00 73.51 H new ATOM 0 HA TYR A 23 -7.859 -4.963 -8.407 1.00 24.41 H new ATOM 0 HB2 TYR A 23 -6.468 -6.950 -8.638 1.00 23.00 H new ATOM 0 HB3 TYR A 23 -7.157 -7.662 -7.193 1.00 23.00 H new ATOM 0 HD1 TYR A 23 -9.351 -8.726 -7.246 1.00 3.14 H new ATOM 0 HD2 TYR A 23 -7.801 -6.829 -10.732 1.00 31.51 H new ATOM 0 HE1 TYR A 23 -11.080 -9.816 -8.605 1.00 53.32 H new ATOM 0 HE2 TYR A 23 -9.533 -7.914 -12.093 1.00 51.30 H new ATOM 0 HH TYR A 23 -11.276 -9.269 -12.130 1.00 55.42 H new ATOM 70 N THR A 24 -10.197 -5.488 -7.627 1.00 0.42 N ATOM 71 CA THR A 24 -11.550 -5.519 -7.086 1.00 41.41 C ATOM 72 C THR A 24 -12.257 -6.820 -7.448 1.00 0.22 C ATOM 73 O THR A 24 -12.618 -7.040 -8.604 1.00 62.04 O ATOM 74 CB THR A 24 -12.388 -4.332 -7.600 1.00 24.42 C ATOM 75 OG1 THR A 24 -11.707 -3.101 -7.334 1.00 13.32 O ATOM 76 CG2 THR A 24 -13.759 -4.313 -6.941 1.00 42.23 C ATOM 0 H THR A 24 -10.147 -5.293 -8.627 1.00 0.42 H new ATOM 0 HA THR A 24 -11.459 -5.448 -6.002 1.00 41.41 H new ATOM 0 HB THR A 24 -12.521 -4.447 -8.676 1.00 24.42 H new ATOM 0 HG1 THR A 24 -12.245 -2.352 -7.665 1.00 13.32 H new ATOM 0 HG21 THR A 24 -14.333 -3.467 -7.319 1.00 42.23 H new ATOM 0 HG22 THR A 24 -14.286 -5.240 -7.170 1.00 42.23 H new ATOM 0 HG23 THR A 24 -13.642 -4.219 -5.861 1.00 42.23 H new ATOM 84 N ILE A 25 -12.452 -7.678 -6.453 1.00 14.05 N ATOM 85 CA ILE A 25 -13.118 -8.957 -6.667 1.00 14.32 C ATOM 86 C ILE A 25 -14.632 -8.784 -6.734 1.00 10.21 C ATOM 87 O ILE A 25 -15.284 -8.541 -5.719 1.00 22.14 O ATOM 88 CB ILE A 25 -12.777 -9.963 -5.552 1.00 61.11 C ATOM 89 CG1 ILE A 25 -11.265 -10.011 -5.324 1.00 3.11 C ATOM 90 CG2 ILE A 25 -13.309 -11.344 -5.904 1.00 62.34 C ATOM 91 CD1 ILE A 25 -10.849 -10.967 -4.228 1.00 0.43 C ATOM 0 H ILE A 25 -12.158 -7.511 -5.491 1.00 14.05 H new ATOM 0 HA ILE A 25 -12.756 -9.346 -7.619 1.00 14.32 H new ATOM 0 HB ILE A 25 -13.255 -9.636 -4.629 1.00 61.11 H new ATOM 0 HG12 ILE A 25 -10.775 -10.301 -6.253 1.00 3.11 H new ATOM 0 HG13 ILE A 25 -10.911 -9.010 -5.076 1.00 3.11 H new ATOM 0 HG21 ILE A 25 -13.060 -12.044 -5.106 1.00 62.34 H new ATOM 0 HG22 ILE A 25 -14.392 -11.298 -6.021 1.00 62.34 H new ATOM 0 HG23 ILE A 25 -12.857 -11.681 -6.837 1.00 62.34 H new ATOM 0 HD11 ILE A 25 -9.764 -10.949 -4.122 1.00 0.43 H new ATOM 0 HD12 ILE A 25 -11.311 -10.666 -3.288 1.00 0.43 H new ATOM 0 HD13 ILE A 25 -11.172 -11.976 -4.484 1.00 0.43 H new ATOM 103 N GLN A 26 -15.184 -8.912 -7.936 1.00 71.21 N ATOM 104 CA GLN A 26 -16.622 -8.771 -8.135 1.00 23.10 C ATOM 105 C GLN A 26 -17.269 -10.125 -8.410 1.00 4.41 C ATOM 106 O GLN A 26 -16.602 -11.100 -8.757 1.00 42.41 O ATOM 107 CB GLN A 26 -16.906 -7.812 -9.292 1.00 71.12 C ATOM 108 CG GLN A 26 -17.005 -6.356 -8.866 1.00 34.44 C ATOM 109 CD GLN A 26 -17.893 -5.539 -9.783 1.00 42.42 C ATOM 110 OE1 GLN A 26 -19.092 -5.398 -9.543 1.00 32.04 O ATOM 111 NE2 GLN A 26 -17.307 -4.993 -10.843 1.00 24.43 N ATOM 0 H GLN A 26 -14.658 -9.113 -8.786 1.00 71.21 H new ATOM 0 HA GLN A 26 -17.052 -8.363 -7.220 1.00 23.10 H new ATOM 0 HB2 GLN A 26 -16.116 -7.911 -10.037 1.00 71.12 H new ATOM 0 HB3 GLN A 26 -17.838 -8.105 -9.775 1.00 71.12 H new ATOM 0 HG2 GLN A 26 -17.394 -6.305 -7.849 1.00 34.44 H new ATOM 0 HG3 GLN A 26 -16.007 -5.918 -8.848 1.00 34.44 H new ATOM 0 HE21 GLN A 26 -16.310 -5.135 -11.004 1.00 24.43 H new ATOM 0 HE22 GLN A 26 -17.854 -4.432 -11.496 1.00 24.43 H new ATOM 120 N PRO A 27 -18.599 -10.188 -8.251 1.00 60.34 N ATOM 121 CA PRO A 27 -19.365 -11.417 -8.478 1.00 32.34 C ATOM 122 C PRO A 27 -19.010 -12.086 -9.801 1.00 74.32 C ATOM 123 O PRO A 27 -19.136 -11.483 -10.866 1.00 62.10 O ATOM 124 CB PRO A 27 -20.817 -10.932 -8.496 1.00 42.01 C ATOM 125 CG PRO A 27 -20.810 -9.687 -7.678 1.00 53.22 C ATOM 126 CD PRO A 27 -19.458 -9.065 -7.840 1.00 23.25 C ATOM 0 HA PRO A 27 -19.162 -12.170 -7.716 1.00 32.34 H new ATOM 0 HB2 PRO A 27 -21.156 -10.736 -9.513 1.00 42.01 H new ATOM 0 HB3 PRO A 27 -21.489 -11.679 -8.074 1.00 42.01 H new ATOM 0 HG2 PRO A 27 -21.591 -9.003 -8.010 1.00 53.22 H new ATOM 0 HG3 PRO A 27 -21.008 -9.913 -6.630 1.00 53.22 H new ATOM 0 HD2 PRO A 27 -19.469 -8.275 -8.591 1.00 23.25 H new ATOM 0 HD3 PRO A 27 -19.111 -8.616 -6.910 1.00 23.25 H new ATOM 134 N GLY A 28 -18.567 -13.338 -9.727 1.00 2.44 N ATOM 135 CA GLY A 28 -18.201 -14.068 -10.926 1.00 50.33 C ATOM 136 C GLY A 28 -16.702 -14.249 -11.060 1.00 71.12 C ATOM 137 O GLY A 28 -16.239 -15.150 -11.760 1.00 31.01 O ATOM 0 H GLY A 28 -18.455 -13.859 -8.857 1.00 2.44 H new ATOM 0 HA2 GLY A 28 -18.682 -15.046 -10.913 1.00 50.33 H new ATOM 0 HA3 GLY A 28 -18.579 -13.538 -11.800 1.00 50.33 H new ATOM 141 N ASP A 29 -15.942 -13.391 -10.390 1.00 3.52 N ATOM 142 CA ASP A 29 -14.486 -13.460 -10.438 1.00 2.45 C ATOM 143 C ASP A 29 -13.951 -14.398 -9.360 1.00 43.13 C ATOM 144 O ASP A 29 -14.373 -14.340 -8.205 1.00 1.12 O ATOM 145 CB ASP A 29 -13.882 -12.065 -10.263 1.00 22.32 C ATOM 146 CG ASP A 29 -14.619 -11.011 -11.065 1.00 4.42 C ATOM 147 OD1 ASP A 29 -14.910 -11.264 -12.253 1.00 34.25 O ATOM 148 OD2 ASP A 29 -14.904 -9.932 -10.505 1.00 12.15 O ATOM 0 H ASP A 29 -16.310 -12.639 -9.807 1.00 3.52 H new ATOM 0 HA ASP A 29 -14.197 -13.853 -11.413 1.00 2.45 H new ATOM 0 HB2 ASP A 29 -13.901 -11.794 -9.207 1.00 22.32 H new ATOM 0 HB3 ASP A 29 -12.836 -12.084 -10.568 1.00 22.32 H new ATOM 153 N THR A 30 -13.019 -15.264 -9.746 1.00 42.15 N ATOM 154 CA THR A 30 -12.428 -16.216 -8.815 1.00 65.31 C ATOM 155 C THR A 30 -10.917 -16.031 -8.724 1.00 12.53 C ATOM 156 O THR A 30 -10.298 -15.451 -9.616 1.00 63.32 O ATOM 157 CB THR A 30 -12.731 -17.669 -9.229 1.00 4.31 C ATOM 158 OG1 THR A 30 -13.352 -17.691 -10.519 1.00 33.14 O ATOM 159 CG2 THR A 30 -13.638 -18.343 -8.211 1.00 61.21 C ATOM 0 H THR A 30 -12.657 -15.325 -10.698 1.00 42.15 H new ATOM 0 HA THR A 30 -12.875 -16.023 -7.840 1.00 65.31 H new ATOM 0 HB THR A 30 -11.789 -18.216 -9.271 1.00 4.31 H new ATOM 0 HG1 THR A 30 -13.540 -18.618 -10.776 1.00 33.14 H new ATOM 0 HG21 THR A 30 -13.838 -19.368 -8.524 1.00 61.21 H new ATOM 0 HG22 THR A 30 -13.149 -18.350 -7.237 1.00 61.21 H new ATOM 0 HG23 THR A 30 -14.577 -17.795 -8.141 1.00 61.21 H new ATOM 167 N PHE A 31 -10.329 -16.526 -7.640 1.00 34.03 N ATOM 168 CA PHE A 31 -8.890 -16.414 -7.432 1.00 34.22 C ATOM 169 C PHE A 31 -8.123 -16.979 -8.624 1.00 11.03 C ATOM 170 O PHE A 31 -7.239 -16.322 -9.173 1.00 64.53 O ATOM 171 CB PHE A 31 -8.480 -17.147 -6.153 1.00 30.40 C ATOM 172 CG PHE A 31 -8.675 -16.333 -4.906 1.00 52.12 C ATOM 173 CD1 PHE A 31 -9.476 -16.799 -3.876 1.00 70.53 C ATOM 174 CD2 PHE A 31 -8.058 -15.100 -4.764 1.00 72.43 C ATOM 175 CE1 PHE A 31 -9.657 -16.053 -2.727 1.00 55.34 C ATOM 176 CE2 PHE A 31 -8.236 -14.349 -3.618 1.00 24.43 C ATOM 177 CZ PHE A 31 -9.037 -14.826 -2.599 1.00 12.54 C ATOM 0 H PHE A 31 -10.827 -17.009 -6.892 1.00 34.03 H new ATOM 0 HA PHE A 31 -8.643 -15.357 -7.332 1.00 34.22 H new ATOM 0 HB2 PHE A 31 -9.058 -18.067 -6.070 1.00 30.40 H new ATOM 0 HB3 PHE A 31 -7.431 -17.435 -6.229 1.00 30.40 H new ATOM 0 HD1 PHE A 31 -9.965 -17.757 -3.972 1.00 70.53 H new ATOM 0 HD2 PHE A 31 -7.431 -14.722 -5.558 1.00 72.43 H new ATOM 0 HE1 PHE A 31 -10.282 -16.429 -1.931 1.00 55.34 H new ATOM 0 HE2 PHE A 31 -7.749 -13.390 -3.519 1.00 24.43 H new ATOM 0 HZ PHE A 31 -9.178 -14.240 -1.703 1.00 12.54 H new ATOM 187 N TRP A 32 -8.468 -18.200 -9.017 1.00 11.33 N ATOM 188 CA TRP A 32 -7.812 -18.854 -10.143 1.00 43.10 C ATOM 189 C TRP A 32 -7.818 -17.954 -11.374 1.00 73.41 C ATOM 190 O TRP A 32 -6.768 -17.661 -11.945 1.00 54.11 O ATOM 191 CB TRP A 32 -8.502 -20.181 -10.462 1.00 15.22 C ATOM 192 CG TRP A 32 -7.691 -21.074 -11.350 1.00 70.52 C ATOM 193 CD1 TRP A 32 -6.378 -21.415 -11.191 1.00 50.22 C ATOM 194 CD2 TRP A 32 -8.139 -21.740 -12.536 1.00 52.31 C ATOM 195 NE1 TRP A 32 -5.983 -22.251 -12.207 1.00 61.50 N ATOM 196 CE2 TRP A 32 -7.045 -22.467 -13.045 1.00 11.14 C ATOM 197 CE3 TRP A 32 -9.358 -21.794 -13.217 1.00 14.42 C ATOM 198 CZ2 TRP A 32 -7.136 -23.236 -14.202 1.00 10.23 C ATOM 199 CZ3 TRP A 32 -9.447 -22.557 -14.365 1.00 41.03 C ATOM 200 CH2 TRP A 32 -8.342 -23.270 -14.848 1.00 63.40 C ATOM 0 H TRP A 32 -9.198 -18.757 -8.573 1.00 11.33 H new ATOM 0 HA TRP A 32 -6.777 -19.050 -9.864 1.00 43.10 H new ATOM 0 HB2 TRP A 32 -8.715 -20.704 -9.530 1.00 15.22 H new ATOM 0 HB3 TRP A 32 -9.460 -19.978 -10.940 1.00 15.22 H new ATOM 0 HD1 TRP A 32 -5.744 -21.077 -10.385 1.00 50.22 H new ATOM 0 HE1 TRP A 32 -5.050 -22.647 -12.319 1.00 61.50 H new ATOM 0 HE3 TRP A 32 -10.216 -21.249 -12.852 1.00 14.42 H new ATOM 0 HZ2 TRP A 32 -6.285 -23.786 -14.576 1.00 10.23 H new ATOM 0 HZ3 TRP A 32 -10.384 -22.605 -14.899 1.00 41.03 H new ATOM 0 HH2 TRP A 32 -8.444 -23.858 -15.748 1.00 63.40 H new ATOM 211 N ALA A 33 -9.008 -17.520 -11.778 1.00 5.22 N ATOM 212 CA ALA A 33 -9.149 -16.652 -12.940 1.00 54.22 C ATOM 213 C ALA A 33 -8.260 -15.419 -12.816 1.00 73.05 C ATOM 214 O ALA A 33 -7.434 -15.148 -13.688 1.00 61.54 O ATOM 215 CB ALA A 33 -10.603 -16.240 -13.117 1.00 75.54 C ATOM 0 H ALA A 33 -9.887 -17.755 -11.318 1.00 5.22 H new ATOM 0 HA ALA A 33 -8.830 -17.210 -13.820 1.00 54.22 H new ATOM 0 HB1 ALA A 33 -10.694 -15.592 -13.989 1.00 75.54 H new ATOM 0 HB2 ALA A 33 -11.218 -17.128 -13.260 1.00 75.54 H new ATOM 0 HB3 ALA A 33 -10.940 -15.704 -12.230 1.00 75.54 H new ATOM 221 N ILE A 34 -8.436 -14.675 -11.729 1.00 62.45 N ATOM 222 CA ILE A 34 -7.649 -13.472 -11.493 1.00 4.33 C ATOM 223 C ILE A 34 -6.155 -13.769 -11.566 1.00 43.53 C ATOM 224 O ILE A 34 -5.362 -12.919 -11.973 1.00 31.51 O ATOM 225 CB ILE A 34 -7.970 -12.850 -10.121 1.00 51.50 C ATOM 226 CG1 ILE A 34 -9.459 -12.510 -10.027 1.00 31.42 C ATOM 227 CG2 ILE A 34 -7.123 -11.607 -9.891 1.00 63.04 C ATOM 228 CD1 ILE A 34 -9.944 -12.307 -8.608 1.00 42.25 C ATOM 0 H ILE A 34 -9.116 -14.884 -10.999 1.00 62.45 H new ATOM 0 HA ILE A 34 -7.915 -12.762 -12.276 1.00 4.33 H new ATOM 0 HB ILE A 34 -7.732 -13.577 -9.345 1.00 51.50 H new ATOM 0 HG12 ILE A 34 -9.654 -11.605 -10.602 1.00 31.42 H new ATOM 0 HG13 ILE A 34 -10.036 -13.311 -10.489 1.00 31.42 H new ATOM 0 HG21 ILE A 34 -7.362 -11.179 -8.917 1.00 63.04 H new ATOM 0 HG22 ILE A 34 -6.067 -11.876 -9.920 1.00 63.04 H new ATOM 0 HG23 ILE A 34 -7.333 -10.874 -10.670 1.00 63.04 H new ATOM 0 HD11 ILE A 34 -11.008 -12.069 -8.618 1.00 42.25 H new ATOM 0 HD12 ILE A 34 -9.781 -13.219 -8.034 1.00 42.25 H new ATOM 0 HD13 ILE A 34 -9.393 -11.486 -8.149 1.00 42.25 H new ATOM 240 N ALA A 35 -5.778 -14.980 -11.171 1.00 64.25 N ATOM 241 CA ALA A 35 -4.379 -15.391 -11.196 1.00 53.02 C ATOM 242 C ALA A 35 -3.872 -15.527 -12.628 1.00 13.31 C ATOM 243 O ALA A 35 -2.921 -14.855 -13.025 1.00 3.34 O ATOM 244 CB ALA A 35 -4.201 -16.702 -10.445 1.00 0.24 C ATOM 0 H ALA A 35 -6.421 -15.694 -10.830 1.00 64.25 H new ATOM 0 HA ALA A 35 -3.790 -14.618 -10.702 1.00 53.02 H new ATOM 0 HB1 ALA A 35 -3.152 -16.997 -10.472 1.00 0.24 H new ATOM 0 HB2 ALA A 35 -4.516 -16.574 -9.409 1.00 0.24 H new ATOM 0 HB3 ALA A 35 -4.808 -17.476 -10.915 1.00 0.24 H new ATOM 250 N GLN A 36 -4.514 -16.400 -13.398 1.00 25.24 N ATOM 251 CA GLN A 36 -4.125 -16.624 -14.785 1.00 73.21 C ATOM 252 C GLN A 36 -4.300 -15.354 -15.611 1.00 74.22 C ATOM 253 O GLN A 36 -3.623 -15.161 -16.621 1.00 54.21 O ATOM 254 CB GLN A 36 -4.952 -17.759 -15.391 1.00 75.23 C ATOM 255 CG GLN A 36 -6.446 -17.479 -15.413 1.00 54.32 C ATOM 256 CD GLN A 36 -7.256 -18.664 -15.902 1.00 45.33 C ATOM 257 OE1 GLN A 36 -7.595 -18.754 -17.083 1.00 4.14 O ATOM 258 NE2 GLN A 36 -7.570 -19.581 -14.995 1.00 63.22 N ATOM 0 H GLN A 36 -5.305 -16.963 -13.085 1.00 25.24 H new ATOM 0 HA GLN A 36 -3.071 -16.903 -14.801 1.00 73.21 H new ATOM 0 HB2 GLN A 36 -4.610 -17.943 -16.410 1.00 75.23 H new ATOM 0 HB3 GLN A 36 -4.770 -18.672 -14.824 1.00 75.23 H new ATOM 0 HG2 GLN A 36 -6.776 -17.208 -14.410 1.00 54.32 H new ATOM 0 HG3 GLN A 36 -6.641 -16.621 -16.056 1.00 54.32 H new ATOM 0 HE21 GLN A 36 -7.268 -19.466 -14.028 1.00 63.22 H new ATOM 0 HE22 GLN A 36 -8.113 -20.401 -15.266 1.00 63.22 H new ATOM 267 N ARG A 37 -5.213 -14.492 -15.175 1.00 40.14 N ATOM 268 CA ARG A 37 -5.478 -13.241 -15.876 1.00 10.02 C ATOM 269 C ARG A 37 -4.386 -12.215 -15.588 1.00 42.12 C ATOM 270 O ARG A 37 -3.583 -11.887 -16.462 1.00 1.01 O ATOM 271 CB ARG A 37 -6.841 -12.680 -15.464 1.00 65.23 C ATOM 272 CG ARG A 37 -7.247 -11.438 -16.240 1.00 74.11 C ATOM 273 CD ARG A 37 -7.250 -11.694 -17.739 1.00 53.42 C ATOM 274 NE ARG A 37 -5.948 -11.425 -18.343 1.00 23.23 N ATOM 275 CZ ARG A 37 -5.521 -10.207 -18.657 1.00 64.45 C ATOM 276 NH1 ARG A 37 -6.289 -9.152 -18.427 1.00 4.43 N ATOM 277 NH2 ARG A 37 -4.322 -10.044 -19.204 1.00 15.12 N ATOM 0 H ARG A 37 -5.781 -14.637 -14.340 1.00 40.14 H new ATOM 0 HA ARG A 37 -5.486 -13.448 -16.946 1.00 10.02 H new ATOM 0 HB2 ARG A 37 -7.599 -13.450 -15.605 1.00 65.23 H new ATOM 0 HB3 ARG A 37 -6.821 -12.443 -14.400 1.00 65.23 H new ATOM 0 HG2 ARG A 37 -8.239 -11.117 -15.923 1.00 74.11 H new ATOM 0 HG3 ARG A 37 -6.560 -10.623 -16.010 1.00 74.11 H new ATOM 0 HD2 ARG A 37 -7.531 -12.730 -17.929 1.00 53.42 H new ATOM 0 HD3 ARG A 37 -8.006 -11.067 -18.212 1.00 53.42 H new ATOM 0 HE ARG A 37 -5.333 -12.216 -18.534 1.00 23.23 H new ATOM 0 HH11 ARG A 37 -7.211 -9.274 -18.008 1.00 4.43 H new ATOM 0 HH12 ARG A 37 -5.958 -8.218 -18.669 1.00 4.43 H new ATOM 0 HH21 ARG A 37 -3.729 -10.854 -19.383 1.00 15.12 H new ATOM 0 HH22 ARG A 37 -3.994 -9.109 -19.445 1.00 15.12 H new ATOM 291 N ARG A 38 -4.363 -11.712 -14.358 1.00 42.34 N ATOM 292 CA ARG A 38 -3.371 -10.722 -13.956 1.00 42.13 C ATOM 293 C ARG A 38 -1.958 -11.221 -14.243 1.00 43.12 C ATOM 294 O ARG A 38 -1.050 -10.431 -14.501 1.00 71.52 O ATOM 295 CB ARG A 38 -3.517 -10.398 -12.468 1.00 45.03 C ATOM 296 CG ARG A 38 -4.827 -9.712 -12.120 1.00 34.12 C ATOM 297 CD ARG A 38 -4.815 -8.247 -12.526 1.00 44.22 C ATOM 298 NE ARG A 38 -3.728 -7.511 -11.886 1.00 1.41 N ATOM 299 CZ ARG A 38 -3.320 -6.310 -12.282 1.00 12.00 C ATOM 300 NH1 ARG A 38 -3.906 -5.713 -13.311 1.00 34.24 N ATOM 301 NH2 ARG A 38 -2.324 -5.704 -11.648 1.00 55.33 N ATOM 0 H ARG A 38 -5.020 -11.974 -13.623 1.00 42.34 H new ATOM 0 HA ARG A 38 -3.542 -9.816 -14.537 1.00 42.13 H new ATOM 0 HB2 ARG A 38 -3.437 -11.321 -11.894 1.00 45.03 H new ATOM 0 HB3 ARG A 38 -2.689 -9.759 -12.161 1.00 45.03 H new ATOM 0 HG2 ARG A 38 -5.650 -10.222 -12.620 1.00 34.12 H new ATOM 0 HG3 ARG A 38 -5.007 -9.792 -11.048 1.00 34.12 H new ATOM 0 HD2 ARG A 38 -4.716 -8.172 -13.609 1.00 44.22 H new ATOM 0 HD3 ARG A 38 -5.768 -7.789 -12.261 1.00 44.22 H new ATOM 0 HE ARG A 38 -3.256 -7.943 -11.091 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -4.672 -6.176 -13.801 1.00 34.24 H new ATOM 0 HH12 ARG A 38 -3.591 -4.791 -13.613 1.00 34.24 H new ATOM 0 HH21 ARG A 38 -1.871 -6.160 -10.856 1.00 55.33 H new ATOM 0 HH22 ARG A 38 -2.011 -4.782 -11.953 1.00 55.33 H new ATOM 315 N GLY A 39 -1.779 -12.538 -14.196 1.00 12.34 N ATOM 316 CA GLY A 39 -0.475 -13.119 -14.452 1.00 25.24 C ATOM 317 C GLY A 39 0.229 -13.549 -13.179 1.00 53.53 C ATOM 318 O GLY A 39 1.455 -13.661 -13.145 1.00 74.35 O ATOM 0 H GLY A 39 -2.515 -13.212 -13.985 1.00 12.34 H new ATOM 0 HA2 GLY A 39 -0.587 -13.981 -15.110 1.00 25.24 H new ATOM 0 HA3 GLY A 39 0.145 -12.394 -14.979 1.00 25.24 H new ATOM 322 N THR A 40 -0.548 -13.788 -12.127 1.00 51.32 N ATOM 323 CA THR A 40 0.007 -14.204 -10.846 1.00 4.02 C ATOM 324 C THR A 40 -0.532 -15.568 -10.430 1.00 4.11 C ATOM 325 O THR A 40 -1.428 -16.116 -11.072 1.00 53.53 O ATOM 326 CB THR A 40 -0.307 -13.181 -9.738 1.00 51.21 C ATOM 327 OG1 THR A 40 0.414 -13.512 -8.546 1.00 75.30 O ATOM 328 CG2 THR A 40 -1.799 -13.145 -9.442 1.00 22.52 C ATOM 0 H THR A 40 -1.564 -13.700 -12.138 1.00 51.32 H new ATOM 0 HA THR A 40 1.087 -14.267 -10.976 1.00 4.02 H new ATOM 0 HB THR A 40 0.002 -12.195 -10.086 1.00 51.21 H new ATOM 0 HG1 THR A 40 0.210 -12.856 -7.847 1.00 75.30 H new ATOM 0 HG21 THR A 40 -1.997 -12.416 -8.657 1.00 22.52 H new ATOM 0 HG22 THR A 40 -2.342 -12.863 -10.344 1.00 22.52 H new ATOM 0 HG23 THR A 40 -2.129 -14.131 -9.113 1.00 22.52 H new ATOM 336 N THR A 41 0.020 -16.113 -9.350 1.00 11.11 N ATOM 337 CA THR A 41 -0.405 -17.414 -8.848 1.00 53.53 C ATOM 338 C THR A 41 -1.357 -17.263 -7.667 1.00 3.12 C ATOM 339 O THR A 41 -1.205 -16.358 -6.846 1.00 24.44 O ATOM 340 CB THR A 41 0.800 -18.270 -8.416 1.00 73.45 C ATOM 341 OG1 THR A 41 1.751 -17.461 -7.717 1.00 10.34 O ATOM 342 CG2 THR A 41 1.465 -18.915 -9.623 1.00 22.31 C ATOM 0 H THR A 41 0.763 -15.673 -8.806 1.00 11.11 H new ATOM 0 HA THR A 41 -0.922 -17.915 -9.666 1.00 53.53 H new ATOM 0 HB THR A 41 0.439 -19.058 -7.755 1.00 73.45 H new ATOM 0 HG1 THR A 41 2.513 -18.014 -7.445 1.00 10.34 H new ATOM 0 HG21 THR A 41 2.314 -19.515 -9.294 1.00 22.31 H new ATOM 0 HG22 THR A 41 0.746 -19.554 -10.136 1.00 22.31 H new ATOM 0 HG23 THR A 41 1.812 -18.139 -10.305 1.00 22.31 H new ATOM 350 N VAL A 42 -2.339 -18.155 -7.586 1.00 64.31 N ATOM 351 CA VAL A 42 -3.314 -18.123 -6.503 1.00 53.52 C ATOM 352 C VAL A 42 -2.625 -18.072 -5.144 1.00 54.11 C ATOM 353 O VAL A 42 -3.086 -17.391 -4.228 1.00 54.30 O ATOM 354 CB VAL A 42 -4.245 -19.349 -6.549 1.00 53.32 C ATOM 355 CG1 VAL A 42 -3.435 -20.636 -6.520 1.00 52.24 C ATOM 356 CG2 VAL A 42 -5.237 -19.307 -5.397 1.00 33.52 C ATOM 0 H VAL A 42 -2.480 -18.909 -8.258 1.00 64.31 H new ATOM 0 HA VAL A 42 -3.909 -17.220 -6.639 1.00 53.52 H new ATOM 0 HB VAL A 42 -4.806 -19.323 -7.483 1.00 53.32 H new ATOM 0 HG11 VAL A 42 -4.110 -21.491 -6.553 1.00 52.24 H new ATOM 0 HG12 VAL A 42 -2.768 -20.666 -7.382 1.00 52.24 H new ATOM 0 HG13 VAL A 42 -2.845 -20.674 -5.604 1.00 52.24 H new ATOM 0 HG21 VAL A 42 -5.887 -20.181 -5.445 1.00 33.52 H new ATOM 0 HG22 VAL A 42 -4.696 -19.309 -4.451 1.00 33.52 H new ATOM 0 HG23 VAL A 42 -5.840 -18.402 -5.469 1.00 33.52 H new ATOM 366 N ASP A 43 -1.519 -18.797 -5.021 1.00 10.34 N ATOM 367 CA ASP A 43 -0.764 -18.834 -3.773 1.00 54.43 C ATOM 368 C ASP A 43 -0.363 -17.427 -3.339 1.00 73.30 C ATOM 369 O ASP A 43 -0.506 -17.062 -2.172 1.00 74.01 O ATOM 370 CB ASP A 43 0.481 -19.707 -3.932 1.00 3.33 C ATOM 371 CG ASP A 43 0.161 -21.188 -3.881 1.00 13.42 C ATOM 372 OD1 ASP A 43 -0.889 -21.587 -4.427 1.00 14.23 O ATOM 373 OD2 ASP A 43 0.960 -21.948 -3.296 1.00 3.52 O ATOM 0 H ASP A 43 -1.125 -19.367 -5.769 1.00 10.34 H new ATOM 0 HA ASP A 43 -1.403 -19.264 -3.002 1.00 54.43 H new ATOM 0 HB2 ASP A 43 0.965 -19.475 -4.881 1.00 3.33 H new ATOM 0 HB3 ASP A 43 1.194 -19.465 -3.144 1.00 3.33 H new ATOM 378 N VAL A 44 0.141 -16.642 -4.286 1.00 31.22 N ATOM 379 CA VAL A 44 0.563 -15.276 -4.001 1.00 40.05 C ATOM 380 C VAL A 44 -0.637 -14.373 -3.739 1.00 32.31 C ATOM 381 O VAL A 44 -0.628 -13.567 -2.808 1.00 74.21 O ATOM 382 CB VAL A 44 1.388 -14.690 -5.163 1.00 33.10 C ATOM 383 CG1 VAL A 44 1.821 -13.267 -4.846 1.00 24.14 C ATOM 384 CG2 VAL A 44 2.593 -15.570 -5.457 1.00 72.53 C ATOM 0 H VAL A 44 0.267 -16.929 -5.257 1.00 31.22 H new ATOM 0 HA VAL A 44 1.185 -15.317 -3.107 1.00 40.05 H new ATOM 0 HB VAL A 44 0.761 -14.663 -6.054 1.00 33.10 H new ATOM 0 HG11 VAL A 44 2.402 -12.870 -5.678 1.00 24.14 H new ATOM 0 HG12 VAL A 44 0.940 -12.645 -4.689 1.00 24.14 H new ATOM 0 HG13 VAL A 44 2.432 -13.265 -3.943 1.00 24.14 H new ATOM 0 HG21 VAL A 44 3.164 -15.141 -6.280 1.00 72.53 H new ATOM 0 HG22 VAL A 44 3.224 -15.631 -4.570 1.00 72.53 H new ATOM 0 HG23 VAL A 44 2.255 -16.569 -5.731 1.00 72.53 H new ATOM 394 N ILE A 45 -1.669 -14.515 -4.565 1.00 5.53 N ATOM 395 CA ILE A 45 -2.877 -13.713 -4.420 1.00 53.25 C ATOM 396 C ILE A 45 -3.432 -13.805 -3.003 1.00 1.40 C ATOM 397 O ILE A 45 -3.751 -12.790 -2.385 1.00 14.42 O ATOM 398 CB ILE A 45 -3.967 -14.153 -5.416 1.00 30.44 C ATOM 399 CG1 ILE A 45 -3.452 -14.041 -6.852 1.00 53.21 C ATOM 400 CG2 ILE A 45 -5.223 -13.316 -5.230 1.00 54.33 C ATOM 401 CD1 ILE A 45 -4.273 -14.825 -7.851 1.00 73.24 C ATOM 0 H ILE A 45 -1.692 -15.177 -5.340 1.00 5.53 H new ATOM 0 HA ILE A 45 -2.598 -12.681 -4.631 1.00 53.25 H new ATOM 0 HB ILE A 45 -4.217 -15.196 -5.221 1.00 30.44 H new ATOM 0 HG12 ILE A 45 -3.443 -12.991 -7.145 1.00 53.21 H new ATOM 0 HG13 ILE A 45 -2.420 -14.391 -6.888 1.00 53.21 H new ATOM 0 HG21 ILE A 45 -5.984 -13.639 -5.941 1.00 54.33 H new ATOM 0 HG22 ILE A 45 -5.598 -13.443 -4.214 1.00 54.33 H new ATOM 0 HG23 ILE A 45 -4.989 -12.265 -5.401 1.00 54.33 H new ATOM 0 HD11 ILE A 45 -3.850 -14.699 -8.848 1.00 73.24 H new ATOM 0 HD12 ILE A 45 -4.261 -15.881 -7.582 1.00 73.24 H new ATOM 0 HD13 ILE A 45 -5.300 -14.460 -7.844 1.00 73.24 H new ATOM 413 N GLN A 46 -3.542 -15.028 -2.494 1.00 44.43 N ATOM 414 CA GLN A 46 -4.057 -15.251 -1.149 1.00 23.43 C ATOM 415 C GLN A 46 -3.026 -14.851 -0.098 1.00 14.11 C ATOM 416 O GLN A 46 -3.364 -14.235 0.913 1.00 24.43 O ATOM 417 CB GLN A 46 -4.445 -16.720 -0.966 1.00 42.40 C ATOM 418 CG GLN A 46 -5.519 -16.939 0.088 1.00 44.55 C ATOM 419 CD GLN A 46 -5.469 -18.328 0.692 1.00 61.15 C ATOM 420 OE1 GLN A 46 -4.914 -18.528 1.773 1.00 73.24 O ATOM 421 NE2 GLN A 46 -6.050 -19.298 -0.005 1.00 11.20 N ATOM 0 H GLN A 46 -3.281 -15.879 -2.993 1.00 44.43 H new ATOM 0 HA GLN A 46 -4.943 -14.629 -1.018 1.00 23.43 H new ATOM 0 HB2 GLN A 46 -4.797 -17.116 -1.919 1.00 42.40 H new ATOM 0 HB3 GLN A 46 -3.557 -17.290 -0.692 1.00 42.40 H new ATOM 0 HG2 GLN A 46 -5.402 -16.198 0.879 1.00 44.55 H new ATOM 0 HG3 GLN A 46 -6.500 -16.776 -0.359 1.00 44.55 H new ATOM 0 HE21 GLN A 46 -6.498 -19.087 -0.897 1.00 11.20 H new ATOM 0 HE22 GLN A 46 -6.048 -20.254 0.351 1.00 11.20 H new ATOM 430 N SER A 47 -1.769 -15.205 -0.344 1.00 50.21 N ATOM 431 CA SER A 47 -0.690 -14.886 0.583 1.00 3.01 C ATOM 432 C SER A 47 -0.654 -13.390 0.882 1.00 72.32 C ATOM 433 O SER A 47 -0.342 -12.975 1.999 1.00 70.41 O ATOM 434 CB SER A 47 0.655 -15.335 0.007 1.00 11.44 C ATOM 435 OG SER A 47 1.722 -14.985 0.872 1.00 40.33 O ATOM 0 H SER A 47 -1.473 -15.713 -1.177 1.00 50.21 H new ATOM 0 HA SER A 47 -0.875 -15.420 1.515 1.00 3.01 H new ATOM 0 HB2 SER A 47 0.646 -16.414 -0.147 1.00 11.44 H new ATOM 0 HB3 SER A 47 0.808 -14.875 -0.969 1.00 11.44 H new ATOM 0 HG SER A 47 2.570 -15.284 0.483 1.00 40.33 H new ATOM 441 N LEU A 48 -0.976 -12.585 -0.124 1.00 52.13 N ATOM 442 CA LEU A 48 -0.982 -11.134 0.029 1.00 62.13 C ATOM 443 C LEU A 48 -2.159 -10.682 0.887 1.00 4.42 C ATOM 444 O LEU A 48 -2.109 -9.627 1.519 1.00 32.53 O ATOM 445 CB LEU A 48 -1.046 -10.457 -1.342 1.00 25.34 C ATOM 446 CG LEU A 48 0.299 -10.133 -1.993 1.00 63.13 C ATOM 447 CD1 LEU A 48 0.093 -9.560 -3.387 1.00 12.44 C ATOM 448 CD2 LEU A 48 1.092 -9.164 -1.128 1.00 34.23 C ATOM 0 H LEU A 48 -1.236 -12.912 -1.054 1.00 52.13 H new ATOM 0 HA LEU A 48 -0.058 -10.842 0.529 1.00 62.13 H new ATOM 0 HB2 LEU A 48 -1.608 -11.102 -2.018 1.00 25.34 H new ATOM 0 HB3 LEU A 48 -1.611 -9.530 -1.242 1.00 25.34 H new ATOM 0 HG LEU A 48 0.869 -11.058 -2.083 1.00 63.13 H new ATOM 0 HD11 LEU A 48 1.061 -9.335 -3.835 1.00 12.44 H new ATOM 0 HD12 LEU A 48 -0.433 -10.287 -4.005 1.00 12.44 H new ATOM 0 HD13 LEU A 48 -0.497 -8.646 -3.321 1.00 12.44 H new ATOM 0 HD21 LEU A 48 2.046 -8.945 -1.608 1.00 34.23 H new ATOM 0 HD22 LEU A 48 0.527 -8.240 -1.005 1.00 34.23 H new ATOM 0 HD23 LEU A 48 1.271 -9.612 -0.151 1.00 34.23 H new ATOM 460 N ASN A 49 -3.215 -11.488 0.906 1.00 53.31 N ATOM 461 CA ASN A 49 -4.404 -11.171 1.688 1.00 15.14 C ATOM 462 C ASN A 49 -4.916 -12.405 2.424 1.00 32.53 C ATOM 463 O ASN A 49 -5.935 -12.996 2.064 1.00 1.41 O ATOM 464 CB ASN A 49 -5.503 -10.612 0.782 1.00 40.21 C ATOM 465 CG ASN A 49 -4.958 -9.664 -0.269 1.00 74.13 C ATOM 466 OD1 ASN A 49 -4.969 -8.446 -0.088 1.00 61.44 O ATOM 467 ND2 ASN A 49 -4.479 -10.220 -1.376 1.00 32.32 N ATOM 0 H ASN A 49 -3.272 -12.365 0.389 1.00 53.31 H new ATOM 0 HA ASN A 49 -4.132 -10.416 2.426 1.00 15.14 H new ATOM 0 HB2 ASN A 49 -6.020 -11.437 0.291 1.00 40.21 H new ATOM 0 HB3 ASN A 49 -6.242 -10.090 1.391 1.00 40.21 H new ATOM 0 HD21 ASN A 49 -4.100 -9.633 -2.119 1.00 32.32 H new ATOM 0 HD22 ASN A 49 -4.490 -11.234 -1.483 1.00 32.32 H new ATOM 474 N PRO A 50 -4.194 -12.806 3.481 1.00 20.11 N ATOM 475 CA PRO A 50 -4.556 -13.973 4.291 1.00 71.22 C ATOM 476 C PRO A 50 -5.816 -13.737 5.117 1.00 23.22 C ATOM 477 O PRO A 50 -6.434 -14.681 5.608 1.00 42.11 O ATOM 478 CB PRO A 50 -3.343 -14.160 5.206 1.00 73.10 C ATOM 479 CG PRO A 50 -2.726 -12.807 5.298 1.00 32.30 C ATOM 480 CD PRO A 50 -2.968 -12.150 3.967 1.00 35.24 C ATOM 0 HA PRO A 50 -4.780 -14.844 3.675 1.00 71.22 H new ATOM 0 HB2 PRO A 50 -3.641 -14.527 6.188 1.00 73.10 H new ATOM 0 HB3 PRO A 50 -2.644 -14.887 4.793 1.00 73.10 H new ATOM 0 HG2 PRO A 50 -3.173 -12.228 6.106 1.00 32.30 H new ATOM 0 HG3 PRO A 50 -1.659 -12.878 5.510 1.00 32.30 H new ATOM 0 HD2 PRO A 50 -3.102 -11.073 4.069 1.00 35.24 H new ATOM 0 HD3 PRO A 50 -2.132 -12.304 3.285 1.00 35.24 H new ATOM 488 N GLY A 51 -6.191 -12.470 5.267 1.00 32.40 N ATOM 489 CA GLY A 51 -7.376 -12.134 6.035 1.00 41.34 C ATOM 490 C GLY A 51 -8.631 -12.772 5.474 1.00 60.33 C ATOM 491 O GLY A 51 -9.613 -12.964 6.191 1.00 1.42 O ATOM 0 H GLY A 51 -5.696 -11.671 4.871 1.00 32.40 H new ATOM 0 HA2 GLY A 51 -7.239 -12.455 7.067 1.00 41.34 H new ATOM 0 HA3 GLY A 51 -7.499 -11.051 6.052 1.00 41.34 H new ATOM 495 N VAL A 52 -8.601 -13.102 4.186 1.00 22.13 N ATOM 496 CA VAL A 52 -9.745 -13.722 3.529 1.00 20.30 C ATOM 497 C VAL A 52 -9.508 -15.211 3.301 1.00 4.15 C ATOM 498 O VAL A 52 -8.382 -15.639 3.045 1.00 74.14 O ATOM 499 CB VAL A 52 -10.048 -13.049 2.177 1.00 32.41 C ATOM 500 CG1 VAL A 52 -8.838 -13.127 1.258 1.00 34.34 C ATOM 501 CG2 VAL A 52 -11.265 -13.689 1.525 1.00 1.23 C ATOM 0 H VAL A 52 -7.797 -12.950 3.577 1.00 22.13 H new ATOM 0 HA VAL A 52 -10.600 -13.591 4.192 1.00 20.30 H new ATOM 0 HB VAL A 52 -10.271 -11.997 2.356 1.00 32.41 H new ATOM 0 HG11 VAL A 52 -9.071 -12.646 0.308 1.00 34.34 H new ATOM 0 HG12 VAL A 52 -7.994 -12.619 1.724 1.00 34.34 H new ATOM 0 HG13 VAL A 52 -8.581 -14.172 1.083 1.00 34.34 H new ATOM 0 HG21 VAL A 52 -11.465 -13.202 0.571 1.00 1.23 H new ATOM 0 HG22 VAL A 52 -11.073 -14.749 1.358 1.00 1.23 H new ATOM 0 HG23 VAL A 52 -12.130 -13.576 2.179 1.00 1.23 H new ATOM 511 N VAL A 53 -10.576 -15.996 3.397 1.00 22.32 N ATOM 512 CA VAL A 53 -10.485 -17.438 3.200 1.00 23.12 C ATOM 513 C VAL A 53 -11.372 -17.892 2.046 1.00 25.22 C ATOM 514 O VAL A 53 -12.349 -17.236 1.686 1.00 43.41 O ATOM 515 CB VAL A 53 -10.886 -18.205 4.474 1.00 21.12 C ATOM 516 CG1 VAL A 53 -9.755 -18.181 5.491 1.00 42.22 C ATOM 517 CG2 VAL A 53 -12.160 -17.622 5.067 1.00 23.35 C ATOM 0 H VAL A 53 -11.514 -15.658 3.610 1.00 22.32 H new ATOM 0 HA VAL A 53 -9.444 -17.660 2.964 1.00 23.12 H new ATOM 0 HB VAL A 53 -11.079 -19.244 4.206 1.00 21.12 H new ATOM 0 HG11 VAL A 53 -10.057 -18.728 6.384 1.00 42.22 H new ATOM 0 HG12 VAL A 53 -8.869 -18.649 5.061 1.00 42.22 H new ATOM 0 HG13 VAL A 53 -9.527 -17.149 5.757 1.00 42.22 H new ATOM 0 HG21 VAL A 53 -12.429 -18.176 5.967 1.00 23.35 H new ATOM 0 HG22 VAL A 53 -11.997 -16.575 5.321 1.00 23.35 H new ATOM 0 HG23 VAL A 53 -12.968 -17.698 4.339 1.00 23.35 H new ATOM 527 N PRO A 54 -11.025 -19.043 1.451 1.00 32.44 N ATOM 528 CA PRO A 54 -11.778 -19.612 0.329 1.00 23.44 C ATOM 529 C PRO A 54 -13.148 -20.130 0.754 1.00 61.15 C ATOM 530 O PRO A 54 -14.089 -20.151 -0.041 1.00 0.34 O ATOM 531 CB PRO A 54 -10.892 -20.768 -0.142 1.00 22.30 C ATOM 532 CG PRO A 54 -10.097 -21.150 1.059 1.00 70.53 C ATOM 533 CD PRO A 54 -9.873 -19.879 1.829 1.00 44.42 C ATOM 0 HA PRO A 54 -11.982 -18.870 -0.443 1.00 23.44 H new ATOM 0 HB2 PRO A 54 -11.491 -21.604 -0.503 1.00 22.30 H new ATOM 0 HB3 PRO A 54 -10.245 -20.461 -0.964 1.00 22.30 H new ATOM 0 HG2 PRO A 54 -10.631 -21.883 1.663 1.00 70.53 H new ATOM 0 HG3 PRO A 54 -9.149 -21.604 0.771 1.00 70.53 H new ATOM 0 HD2 PRO A 54 -9.843 -20.060 2.903 1.00 44.42 H new ATOM 0 HD3 PRO A 54 -8.928 -19.407 1.559 1.00 44.42 H new ATOM 541 N THR A 55 -13.254 -20.548 2.011 1.00 15.32 N ATOM 542 CA THR A 55 -14.509 -21.066 2.541 1.00 75.03 C ATOM 543 C THR A 55 -15.540 -19.954 2.699 1.00 75.34 C ATOM 544 O THR A 55 -16.743 -20.188 2.573 1.00 43.50 O ATOM 545 CB THR A 55 -14.302 -21.756 3.902 1.00 15.02 C ATOM 546 OG1 THR A 55 -12.994 -22.335 3.964 1.00 35.40 O ATOM 547 CG2 THR A 55 -15.352 -22.834 4.127 1.00 24.35 C ATOM 0 H THR A 55 -12.485 -20.538 2.681 1.00 15.32 H new ATOM 0 HA THR A 55 -14.877 -21.799 1.823 1.00 75.03 H new ATOM 0 HB THR A 55 -14.403 -21.004 4.685 1.00 15.02 H new ATOM 0 HG1 THR A 55 -12.870 -22.770 4.833 1.00 35.40 H new ATOM 0 HG21 THR A 55 -15.186 -23.308 5.095 1.00 24.35 H new ATOM 0 HG22 THR A 55 -16.345 -22.384 4.109 1.00 24.35 H new ATOM 0 HG23 THR A 55 -15.279 -23.583 3.339 1.00 24.35 H new ATOM 555 N ARG A 56 -15.063 -18.745 2.974 1.00 25.20 N ATOM 556 CA ARG A 56 -15.944 -17.597 3.150 1.00 62.14 C ATOM 557 C ARG A 56 -15.794 -16.615 1.992 1.00 41.33 C ATOM 558 O ARG A 56 -15.680 -15.406 2.200 1.00 40.13 O ATOM 559 CB ARG A 56 -15.641 -16.892 4.473 1.00 23.30 C ATOM 560 CG ARG A 56 -15.509 -17.842 5.652 1.00 5.25 C ATOM 561 CD ARG A 56 -16.824 -18.543 5.954 1.00 50.44 C ATOM 562 NE ARG A 56 -17.730 -17.697 6.726 1.00 55.03 N ATOM 563 CZ ARG A 56 -18.806 -18.156 7.356 1.00 52.15 C ATOM 564 NH1 ARG A 56 -19.108 -19.446 7.305 1.00 21.03 N ATOM 565 NH2 ARG A 56 -19.582 -17.324 8.038 1.00 55.21 N ATOM 0 H ARG A 56 -14.071 -18.535 3.080 1.00 25.20 H new ATOM 0 HA ARG A 56 -16.972 -17.959 3.167 1.00 62.14 H new ATOM 0 HB2 ARG A 56 -14.716 -16.324 4.369 1.00 23.30 H new ATOM 0 HB3 ARG A 56 -16.434 -16.174 4.683 1.00 23.30 H new ATOM 0 HG2 ARG A 56 -14.741 -18.585 5.438 1.00 5.25 H new ATOM 0 HG3 ARG A 56 -15.180 -17.288 6.532 1.00 5.25 H new ATOM 0 HD2 ARG A 56 -17.305 -18.830 5.019 1.00 50.44 H new ATOM 0 HD3 ARG A 56 -16.627 -19.462 6.506 1.00 50.44 H new ATOM 0 HE ARG A 56 -17.526 -16.699 6.785 1.00 55.03 H new ATOM 0 HH11 ARG A 56 -18.514 -20.089 6.781 1.00 21.03 H new ATOM 0 HH12 ARG A 56 -19.935 -19.796 7.790 1.00 21.03 H new ATOM 0 HH21 ARG A 56 -19.353 -16.331 8.079 1.00 55.21 H new ATOM 0 HH22 ARG A 56 -20.408 -17.677 8.521 1.00 55.21 H new ATOM 579 N LEU A 57 -15.794 -17.141 0.772 1.00 32.31 N ATOM 580 CA LEU A 57 -15.658 -16.311 -0.420 1.00 22.23 C ATOM 581 C LEU A 57 -16.825 -15.337 -0.541 1.00 51.12 C ATOM 582 O LEU A 57 -17.987 -15.740 -0.514 1.00 33.42 O ATOM 583 CB LEU A 57 -15.579 -17.189 -1.670 1.00 42.21 C ATOM 584 CG LEU A 57 -15.072 -16.504 -2.940 1.00 12.11 C ATOM 585 CD1 LEU A 57 -14.429 -17.518 -3.873 1.00 51.01 C ATOM 586 CD2 LEU A 57 -16.209 -15.775 -3.643 1.00 25.34 C ATOM 0 H LEU A 57 -15.887 -18.139 0.582 1.00 32.31 H new ATOM 0 HA LEU A 57 -14.737 -15.735 -0.329 1.00 22.23 H new ATOM 0 HB2 LEU A 57 -14.929 -18.037 -1.454 1.00 42.21 H new ATOM 0 HB3 LEU A 57 -16.572 -17.592 -1.870 1.00 42.21 H new ATOM 0 HG LEU A 57 -14.316 -15.771 -2.658 1.00 12.11 H new ATOM 0 HD11 LEU A 57 -14.074 -17.012 -4.771 1.00 51.01 H new ATOM 0 HD12 LEU A 57 -13.588 -17.994 -3.369 1.00 51.01 H new ATOM 0 HD13 LEU A 57 -15.163 -18.275 -4.149 1.00 51.01 H new ATOM 0 HD21 LEU A 57 -15.830 -15.293 -4.544 1.00 25.34 H new ATOM 0 HD22 LEU A 57 -16.987 -16.489 -3.913 1.00 25.34 H new ATOM 0 HD23 LEU A 57 -16.625 -15.020 -2.976 1.00 25.34 H new ATOM 598 N GLN A 58 -16.506 -14.054 -0.678 1.00 14.24 N ATOM 599 CA GLN A 58 -17.529 -13.023 -0.805 1.00 54.50 C ATOM 600 C GLN A 58 -17.332 -12.215 -2.084 1.00 30.12 C ATOM 601 O GLN A 58 -16.204 -12.010 -2.533 1.00 73.10 O ATOM 602 CB GLN A 58 -17.500 -12.093 0.409 1.00 10.51 C ATOM 603 CG GLN A 58 -18.746 -11.233 0.547 1.00 32.04 C ATOM 604 CD GLN A 58 -19.906 -11.983 1.173 1.00 42.20 C ATOM 605 OE1 GLN A 58 -19.783 -12.541 2.263 1.00 21.54 O ATOM 606 NE2 GLN A 58 -21.041 -11.999 0.484 1.00 11.15 N ATOM 0 H GLN A 58 -15.548 -13.704 -0.704 1.00 14.24 H new ATOM 0 HA GLN A 58 -18.500 -13.515 -0.854 1.00 54.50 H new ATOM 0 HB2 GLN A 58 -17.380 -12.692 1.312 1.00 10.51 H new ATOM 0 HB3 GLN A 58 -16.627 -11.444 0.338 1.00 10.51 H new ATOM 0 HG2 GLN A 58 -18.514 -10.358 1.154 1.00 32.04 H new ATOM 0 HG3 GLN A 58 -19.042 -10.869 -0.437 1.00 32.04 H new ATOM 0 HE21 GLN A 58 -21.098 -11.523 -0.416 1.00 11.15 H new ATOM 0 HE22 GLN A 58 -21.856 -12.488 0.855 1.00 11.15 H new ATOM 615 N VAL A 59 -18.436 -11.759 -2.666 1.00 74.03 N ATOM 616 CA VAL A 59 -18.385 -10.973 -3.893 1.00 61.23 C ATOM 617 C VAL A 59 -18.446 -9.480 -3.593 1.00 15.15 C ATOM 618 O VAL A 59 -19.206 -9.040 -2.731 1.00 34.43 O ATOM 619 CB VAL A 59 -19.539 -11.342 -4.845 1.00 25.01 C ATOM 620 CG1 VAL A 59 -19.514 -12.829 -5.163 1.00 22.31 C ATOM 621 CG2 VAL A 59 -20.876 -10.940 -4.241 1.00 43.34 C ATOM 0 H VAL A 59 -19.377 -11.920 -2.308 1.00 74.03 H new ATOM 0 HA VAL A 59 -17.436 -11.205 -4.377 1.00 61.23 H new ATOM 0 HB VAL A 59 -19.408 -10.793 -5.778 1.00 25.01 H new ATOM 0 HG11 VAL A 59 -20.336 -13.071 -5.836 1.00 22.31 H new ATOM 0 HG12 VAL A 59 -18.567 -13.083 -5.640 1.00 22.31 H new ATOM 0 HG13 VAL A 59 -19.620 -13.400 -4.241 1.00 22.31 H new ATOM 0 HG21 VAL A 59 -21.680 -11.208 -4.926 1.00 43.34 H new ATOM 0 HG22 VAL A 59 -21.018 -11.460 -3.294 1.00 43.34 H new ATOM 0 HG23 VAL A 59 -20.889 -9.864 -4.070 1.00 43.34 H new ATOM 631 N GLY A 60 -17.640 -8.703 -4.310 1.00 75.34 N ATOM 632 CA GLY A 60 -17.619 -7.267 -4.106 1.00 1.31 C ATOM 633 C GLY A 60 -16.636 -6.849 -3.031 1.00 4.23 C ATOM 634 O GLY A 60 -16.954 -6.020 -2.178 1.00 72.33 O ATOM 0 H GLY A 60 -17.001 -9.043 -5.029 1.00 75.34 H new ATOM 0 HA2 GLY A 60 -17.360 -6.774 -5.043 1.00 1.31 H new ATOM 0 HA3 GLY A 60 -18.618 -6.927 -3.833 1.00 1.31 H new ATOM 638 N GLN A 61 -15.438 -7.425 -3.070 1.00 13.42 N ATOM 639 CA GLN A 61 -14.407 -7.108 -2.089 1.00 64.21 C ATOM 640 C GLN A 61 -13.076 -6.816 -2.774 1.00 63.11 C ATOM 641 O GLN A 61 -12.678 -7.516 -3.706 1.00 32.15 O ATOM 642 CB GLN A 61 -14.242 -8.263 -1.100 1.00 60.40 C ATOM 643 CG GLN A 61 -13.735 -7.828 0.265 1.00 14.34 C ATOM 644 CD GLN A 61 -12.999 -8.934 0.995 1.00 43.22 C ATOM 645 OE1 GLN A 61 -13.531 -9.542 1.924 1.00 62.34 O ATOM 646 NE2 GLN A 61 -11.767 -9.201 0.577 1.00 42.50 N ATOM 0 H GLN A 61 -15.158 -8.113 -3.770 1.00 13.42 H new ATOM 0 HA GLN A 61 -14.719 -6.216 -1.546 1.00 64.21 H new ATOM 0 HB2 GLN A 61 -15.201 -8.766 -0.979 1.00 60.40 H new ATOM 0 HB3 GLN A 61 -13.550 -8.993 -1.519 1.00 60.40 H new ATOM 0 HG2 GLN A 61 -13.071 -6.972 0.146 1.00 14.34 H new ATOM 0 HG3 GLN A 61 -14.577 -7.495 0.872 1.00 14.34 H new ATOM 0 HE21 GLN A 61 -11.365 -8.672 -0.197 1.00 42.50 H new ATOM 0 HE22 GLN A 61 -11.223 -9.935 1.030 1.00 42.50 H new ATOM 655 N VAL A 62 -12.391 -5.777 -2.307 1.00 23.11 N ATOM 656 CA VAL A 62 -11.104 -5.392 -2.874 1.00 23.41 C ATOM 657 C VAL A 62 -9.960 -6.145 -2.203 1.00 35.23 C ATOM 658 O VAL A 62 -10.044 -6.500 -1.027 1.00 21.44 O ATOM 659 CB VAL A 62 -10.859 -3.878 -2.734 1.00 62.21 C ATOM 660 CG1 VAL A 62 -9.606 -3.467 -3.493 1.00 30.53 C ATOM 661 CG2 VAL A 62 -12.069 -3.096 -3.223 1.00 5.02 C ATOM 0 H VAL A 62 -12.706 -5.187 -1.537 1.00 23.11 H new ATOM 0 HA VAL A 62 -11.135 -5.651 -3.932 1.00 23.41 H new ATOM 0 HB VAL A 62 -10.708 -3.648 -1.679 1.00 62.21 H new ATOM 0 HG11 VAL A 62 -9.449 -2.394 -3.383 1.00 30.53 H new ATOM 0 HG12 VAL A 62 -8.746 -4.003 -3.092 1.00 30.53 H new ATOM 0 HG13 VAL A 62 -9.724 -3.709 -4.549 1.00 30.53 H new ATOM 0 HG21 VAL A 62 -11.879 -2.028 -3.117 1.00 5.02 H new ATOM 0 HG22 VAL A 62 -12.254 -3.329 -4.272 1.00 5.02 H new ATOM 0 HG23 VAL A 62 -12.942 -3.370 -2.631 1.00 5.02 H new ATOM 671 N ILE A 63 -8.894 -6.385 -2.957 1.00 45.35 N ATOM 672 CA ILE A 63 -7.732 -7.094 -2.435 1.00 34.02 C ATOM 673 C ILE A 63 -6.435 -6.476 -2.945 1.00 11.22 C ATOM 674 O ILE A 63 -6.449 -5.615 -3.824 1.00 34.22 O ATOM 675 CB ILE A 63 -7.763 -8.585 -2.819 1.00 53.04 C ATOM 676 CG1 ILE A 63 -7.736 -8.742 -4.341 1.00 71.31 C ATOM 677 CG2 ILE A 63 -8.996 -9.258 -2.234 1.00 1.41 C ATOM 678 CD1 ILE A 63 -6.343 -8.908 -4.907 1.00 1.14 C ATOM 0 H ILE A 63 -8.810 -6.099 -3.932 1.00 45.35 H new ATOM 0 HA ILE A 63 -7.771 -7.006 -1.349 1.00 34.02 H new ATOM 0 HB ILE A 63 -6.878 -9.070 -2.406 1.00 53.04 H new ATOM 0 HG12 ILE A 63 -8.338 -9.607 -4.620 1.00 71.31 H new ATOM 0 HG13 ILE A 63 -8.203 -7.869 -4.797 1.00 71.31 H new ATOM 0 HG21 ILE A 63 -9.003 -10.311 -2.514 1.00 1.41 H new ATOM 0 HG22 ILE A 63 -8.977 -9.172 -1.148 1.00 1.41 H new ATOM 0 HG23 ILE A 63 -9.893 -8.774 -2.620 1.00 1.41 H new ATOM 0 HD11 ILE A 63 -6.401 -9.014 -5.990 1.00 1.14 H new ATOM 0 HD12 ILE A 63 -5.743 -8.032 -4.659 1.00 1.14 H new ATOM 0 HD13 ILE A 63 -5.880 -9.798 -4.480 1.00 1.14 H new ATOM 690 N ASN A 64 -5.314 -6.922 -2.388 1.00 30.42 N ATOM 691 CA ASN A 64 -4.007 -6.414 -2.787 1.00 42.12 C ATOM 692 C ASN A 64 -3.328 -7.368 -3.765 1.00 44.11 C ATOM 693 O ASN A 64 -3.404 -8.587 -3.614 1.00 60.30 O ATOM 694 CB ASN A 64 -3.119 -6.208 -1.558 1.00 71.31 C ATOM 695 CG ASN A 64 -3.288 -4.831 -0.947 1.00 12.14 C ATOM 696 OD1 ASN A 64 -2.842 -3.831 -1.509 1.00 2.11 O ATOM 697 ND2 ASN A 64 -3.936 -4.773 0.211 1.00 24.34 N ATOM 0 H ASN A 64 -5.285 -7.634 -1.659 1.00 30.42 H new ATOM 0 HA ASN A 64 -4.154 -5.456 -3.285 1.00 42.12 H new ATOM 0 HB2 ASN A 64 -3.356 -6.966 -0.811 1.00 71.31 H new ATOM 0 HB3 ASN A 64 -2.076 -6.352 -1.839 1.00 71.31 H new ATOM 0 HD21 ASN A 64 -4.081 -3.874 0.670 1.00 24.34 H new ATOM 0 HD22 ASN A 64 -4.289 -5.628 0.641 1.00 24.34 H new ATOM 704 N VAL A 65 -2.662 -6.804 -4.768 1.00 54.22 N ATOM 705 CA VAL A 65 -1.968 -7.603 -5.770 1.00 62.33 C ATOM 706 C VAL A 65 -0.516 -7.162 -5.915 1.00 64.51 C ATOM 707 O VAL A 65 -0.151 -6.028 -5.605 1.00 54.01 O ATOM 708 CB VAL A 65 -2.661 -7.509 -7.143 1.00 2.24 C ATOM 709 CG1 VAL A 65 -3.905 -8.384 -7.174 1.00 44.23 C ATOM 710 CG2 VAL A 65 -3.007 -6.063 -7.466 1.00 35.35 C ATOM 0 H VAL A 65 -2.589 -5.796 -4.908 1.00 54.22 H new ATOM 0 HA VAL A 65 -1.999 -8.637 -5.426 1.00 62.33 H new ATOM 0 HB VAL A 65 -1.972 -7.873 -7.905 1.00 2.24 H new ATOM 0 HG11 VAL A 65 -4.381 -8.305 -8.151 1.00 44.23 H new ATOM 0 HG12 VAL A 65 -3.625 -9.421 -6.990 1.00 44.23 H new ATOM 0 HG13 VAL A 65 -4.601 -8.054 -6.403 1.00 44.23 H new ATOM 0 HG21 VAL A 65 -3.496 -6.014 -8.439 1.00 35.35 H new ATOM 0 HG22 VAL A 65 -3.679 -5.670 -6.703 1.00 35.35 H new ATOM 0 HG23 VAL A 65 -2.095 -5.467 -7.488 1.00 35.35 H new ATOM 720 N PRO A 66 0.336 -8.080 -6.398 1.00 53.51 N ATOM 721 CA PRO A 66 1.763 -7.808 -6.596 1.00 74.24 C ATOM 722 C PRO A 66 2.013 -6.831 -7.739 1.00 45.44 C ATOM 723 O PRO A 66 2.244 -7.237 -8.879 1.00 31.34 O ATOM 724 CB PRO A 66 2.342 -9.185 -6.933 1.00 51.50 C ATOM 725 CG PRO A 66 1.197 -9.948 -7.503 1.00 70.33 C ATOM 726 CD PRO A 66 -0.029 -9.452 -6.788 1.00 52.34 C ATOM 0 HA PRO A 66 2.215 -7.343 -5.720 1.00 74.24 H new ATOM 0 HB2 PRO A 66 3.160 -9.106 -7.649 1.00 51.50 H new ATOM 0 HB3 PRO A 66 2.741 -9.675 -6.045 1.00 51.50 H new ATOM 0 HG2 PRO A 66 1.115 -9.784 -8.577 1.00 70.33 H new ATOM 0 HG3 PRO A 66 1.329 -11.020 -7.353 1.00 70.33 H new ATOM 0 HD2 PRO A 66 -0.905 -9.466 -7.436 1.00 52.34 H new ATOM 0 HD3 PRO A 66 -0.265 -10.067 -5.920 1.00 52.34 H new ATOM 734 N CYS A 67 1.968 -5.540 -7.428 1.00 52.53 N ATOM 735 CA CYS A 67 2.190 -4.503 -8.429 1.00 41.01 C ATOM 736 C CYS A 67 3.506 -4.732 -9.167 1.00 22.25 C ATOM 737 O CYS A 67 4.575 -4.368 -8.676 1.00 21.31 O ATOM 738 CB CYS A 67 2.195 -3.122 -7.771 1.00 4.13 C ATOM 739 SG CYS A 67 1.618 -1.778 -8.857 1.00 25.20 S ATOM 0 H CYS A 67 1.780 -5.187 -6.490 1.00 52.53 H new ATOM 0 HA CYS A 67 1.375 -4.551 -9.152 1.00 41.01 H new ATOM 0 HB2 CYS A 67 1.564 -3.153 -6.882 1.00 4.13 H new ATOM 0 HB3 CYS A 67 3.207 -2.895 -7.436 1.00 4.13 H new TER 744 CYS A 67