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 100:sc= -0.291 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.033) USER MOD Single : A 40 THR OG1 : rot 32:sc= -0.844 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 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= 1.87 K(o=1.9,f=-8.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.19) USER MOD Single : A 61 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 19 0.702 0.487 -1.313 1.00 24.53 N ATOM 2 CA MET A 19 1.716 -0.257 -2.052 1.00 3.22 C ATOM 3 C MET A 19 1.073 -1.160 -3.099 1.00 54.11 C ATOM 4 O MET A 19 0.038 -1.777 -2.849 1.00 63.31 O ATOM 5 CB MET A 19 2.566 -1.093 -1.093 1.00 42.03 C ATOM 6 CG MET A 19 3.590 -0.278 -0.320 1.00 12.33 C ATOM 7 SD MET A 19 2.895 0.487 1.158 1.00 41.52 S ATOM 8 CE MET A 19 3.298 2.209 0.869 1.00 22.42 C ATOM 0 HA MET A 19 2.357 0.461 -2.563 1.00 3.22 H new ATOM 0 HB2 MET A 19 1.909 -1.600 -0.386 1.00 42.03 H new ATOM 0 HB3 MET A 19 3.083 -1.867 -1.660 1.00 42.03 H new ATOM 0 HG2 MET A 19 4.421 -0.923 -0.034 1.00 12.33 H new ATOM 0 HG3 MET A 19 3.997 0.498 -0.969 1.00 12.33 H new ATOM 0 HE1 MET A 19 2.932 2.813 1.700 1.00 22.42 H new ATOM 0 HE2 MET A 19 4.379 2.321 0.788 1.00 22.42 H new ATOM 0 HE3 MET A 19 2.828 2.542 -0.056 1.00 22.42 H new ATOM 18 N GLY A 20 1.692 -1.232 -4.274 1.00 20.05 N ATOM 19 CA GLY A 20 1.164 -2.062 -5.341 1.00 4.22 C ATOM 20 C GLY A 20 -0.195 -1.594 -5.821 1.00 41.52 C ATOM 21 O GLY A 20 -0.518 -0.409 -5.733 1.00 55.34 O ATOM 0 H GLY A 20 2.549 -0.730 -4.506 1.00 20.05 H new ATOM 0 HA2 GLY A 20 1.862 -2.060 -6.178 1.00 4.22 H new ATOM 0 HA3 GLY A 20 1.088 -3.092 -4.992 1.00 4.22 H new ATOM 25 N CYS A 21 -0.993 -2.525 -6.332 1.00 51.24 N ATOM 26 CA CYS A 21 -2.324 -2.202 -6.831 1.00 53.22 C ATOM 27 C CYS A 21 -3.379 -3.094 -6.183 1.00 13.32 C ATOM 28 O CYS A 21 -3.067 -4.163 -5.657 1.00 14.42 O ATOM 29 CB CYS A 21 -2.374 -2.358 -8.352 1.00 64.03 C ATOM 30 SG CYS A 21 -1.686 -0.941 -9.268 1.00 23.31 S ATOM 0 H CYS A 21 -0.741 -3.510 -6.411 1.00 51.24 H new ATOM 0 HA CYS A 21 -2.540 -1.166 -6.572 1.00 53.22 H new ATOM 0 HB2 CYS A 21 -1.827 -3.258 -8.632 1.00 64.03 H new ATOM 0 HB3 CYS A 21 -3.410 -2.506 -8.657 1.00 64.03 H new ATOM 35 N THR A 22 -4.631 -2.647 -6.224 1.00 42.24 N ATOM 36 CA THR A 22 -5.732 -3.403 -5.641 1.00 41.50 C ATOM 37 C THR A 22 -6.739 -3.818 -6.707 1.00 14.30 C ATOM 38 O THR A 22 -7.022 -3.061 -7.636 1.00 51.11 O ATOM 39 CB THR A 22 -6.458 -2.588 -4.554 1.00 32.33 C ATOM 40 OG1 THR A 22 -6.886 -1.330 -5.088 1.00 31.44 O ATOM 41 CG2 THR A 22 -5.550 -2.354 -3.356 1.00 32.11 C ATOM 0 H THR A 22 -4.907 -1.765 -6.655 1.00 42.24 H new ATOM 0 HA THR A 22 -5.299 -4.295 -5.188 1.00 41.50 H new ATOM 0 HB THR A 22 -7.328 -3.157 -4.225 1.00 32.33 H new ATOM 0 HG1 THR A 22 -7.348 -0.819 -4.391 1.00 31.44 H new ATOM 0 HG21 THR A 22 -6.084 -1.776 -2.602 1.00 32.11 H new ATOM 0 HG22 THR A 22 -5.250 -3.313 -2.934 1.00 32.11 H new ATOM 0 HG23 THR A 22 -4.664 -1.804 -3.673 1.00 32.11 H new ATOM 49 N TYR A 23 -7.279 -5.023 -6.567 1.00 22.52 N ATOM 50 CA TYR A 23 -8.254 -5.540 -7.519 1.00 53.14 C ATOM 51 C TYR A 23 -9.622 -5.704 -6.864 1.00 11.33 C ATOM 52 O TYR A 23 -9.722 -6.029 -5.680 1.00 74.32 O ATOM 53 CB TYR A 23 -7.784 -6.880 -8.087 1.00 34.44 C ATOM 54 CG TYR A 23 -8.818 -7.569 -8.949 1.00 11.12 C ATOM 55 CD1 TYR A 23 -8.887 -7.323 -10.315 1.00 22.32 C ATOM 56 CD2 TYR A 23 -9.727 -8.464 -8.398 1.00 24.11 C ATOM 57 CE1 TYR A 23 -9.830 -7.949 -11.107 1.00 20.44 C ATOM 58 CE2 TYR A 23 -10.672 -9.096 -9.182 1.00 51.12 C ATOM 59 CZ TYR A 23 -10.720 -8.835 -10.536 1.00 20.12 C ATOM 60 OH TYR A 23 -11.661 -9.461 -11.320 1.00 73.42 O ATOM 0 H TYR A 23 -7.058 -5.661 -5.802 1.00 22.52 H new ATOM 0 HA TYR A 23 -8.345 -4.820 -8.333 1.00 53.14 H new ATOM 0 HB2 TYR A 23 -6.881 -6.719 -8.676 1.00 34.44 H new ATOM 0 HB3 TYR A 23 -7.513 -7.539 -7.263 1.00 34.44 H new ATOM 0 HD1 TYR A 23 -8.191 -6.630 -10.765 1.00 22.32 H new ATOM 0 HD2 TYR A 23 -9.694 -8.669 -7.338 1.00 24.11 H new ATOM 0 HE1 TYR A 23 -9.870 -7.746 -12.167 1.00 20.44 H new ATOM 0 HE2 TYR A 23 -11.370 -9.791 -8.738 1.00 51.12 H new ATOM 0 HH TYR A 23 -11.359 -10.369 -11.531 1.00 73.42 H new ATOM 70 N THR A 24 -10.675 -5.476 -7.642 1.00 75.23 N ATOM 71 CA THR A 24 -12.038 -5.597 -7.139 1.00 60.54 C ATOM 72 C THR A 24 -12.667 -6.918 -7.569 1.00 51.21 C ATOM 73 O THR A 24 -12.930 -7.135 -8.752 1.00 53.43 O ATOM 74 CB THR A 24 -12.923 -4.436 -7.630 1.00 33.40 C ATOM 75 OG1 THR A 24 -12.238 -3.191 -7.458 1.00 63.11 O ATOM 76 CG2 THR A 24 -14.242 -4.404 -6.872 1.00 50.13 C ATOM 0 H THR A 24 -10.610 -5.206 -8.624 1.00 75.23 H new ATOM 0 HA THR A 24 -11.978 -5.563 -6.051 1.00 60.54 H new ATOM 0 HB THR A 24 -13.133 -4.591 -8.688 1.00 33.40 H new ATOM 0 HG1 THR A 24 -12.807 -2.458 -7.774 1.00 63.11 H new ATOM 0 HG21 THR A 24 -14.851 -3.576 -7.236 1.00 50.13 H new ATOM 0 HG22 THR A 24 -14.775 -5.342 -7.029 1.00 50.13 H new ATOM 0 HG23 THR A 24 -14.047 -4.271 -5.808 1.00 50.13 H new ATOM 84 N ILE A 25 -12.906 -7.796 -6.601 1.00 74.44 N ATOM 85 CA ILE A 25 -13.507 -9.095 -6.881 1.00 3.04 C ATOM 86 C ILE A 25 -15.025 -8.989 -6.978 1.00 62.23 C ATOM 87 O ILE A 25 -15.711 -8.828 -5.970 1.00 11.23 O ATOM 88 CB ILE A 25 -13.144 -10.128 -5.797 1.00 40.51 C ATOM 89 CG1 ILE A 25 -11.636 -10.119 -5.538 1.00 60.33 C ATOM 90 CG2 ILE A 25 -13.608 -11.516 -6.212 1.00 11.22 C ATOM 91 CD1 ILE A 25 -11.203 -11.088 -4.460 1.00 65.15 C ATOM 0 H ILE A 25 -12.693 -7.632 -5.617 1.00 74.44 H new ATOM 0 HA ILE A 25 -13.107 -9.428 -7.838 1.00 3.04 H new ATOM 0 HB ILE A 25 -13.654 -9.857 -4.872 1.00 40.51 H new ATOM 0 HG12 ILE A 25 -11.115 -10.362 -6.464 1.00 60.33 H new ATOM 0 HG13 ILE A 25 -11.330 -9.112 -5.254 1.00 60.33 H new ATOM 0 HG21 ILE A 25 -13.344 -12.235 -5.436 1.00 11.22 H new ATOM 0 HG22 ILE A 25 -14.689 -11.512 -6.351 1.00 11.22 H new ATOM 0 HG23 ILE A 25 -13.123 -11.797 -7.147 1.00 11.22 H new ATOM 0 HD11 ILE A 25 -10.122 -11.028 -4.330 1.00 65.15 H new ATOM 0 HD12 ILE A 25 -11.696 -10.833 -3.522 1.00 65.15 H new ATOM 0 HD13 ILE A 25 -11.478 -12.102 -4.751 1.00 65.15 H new ATOM 103 N GLN A 26 -15.542 -9.083 -8.199 1.00 63.12 N ATOM 104 CA GLN A 26 -16.979 -8.999 -8.428 1.00 73.11 C ATOM 105 C GLN A 26 -17.545 -10.354 -8.841 1.00 21.04 C ATOM 106 O GLN A 26 -16.818 -11.258 -9.252 1.00 62.41 O ATOM 107 CB GLN A 26 -17.286 -7.956 -9.504 1.00 65.24 C ATOM 108 CG GLN A 26 -17.478 -6.552 -8.954 1.00 34.41 C ATOM 109 CD GLN A 26 -18.314 -5.677 -9.867 1.00 63.03 C ATOM 110 OE1 GLN A 26 -19.199 -6.162 -10.573 1.00 22.45 O ATOM 111 NE2 GLN A 26 -18.037 -4.378 -9.859 1.00 64.42 N ATOM 0 H GLN A 26 -14.987 -9.217 -9.044 1.00 63.12 H new ATOM 0 HA GLN A 26 -17.453 -8.697 -7.494 1.00 73.11 H new ATOM 0 HB2 GLN A 26 -16.473 -7.945 -10.230 1.00 65.24 H new ATOM 0 HB3 GLN A 26 -18.187 -8.254 -10.040 1.00 65.24 H new ATOM 0 HG2 GLN A 26 -17.956 -6.611 -7.976 1.00 34.41 H new ATOM 0 HG3 GLN A 26 -16.503 -6.088 -8.805 1.00 34.41 H new ATOM 0 HE21 GLN A 26 -17.295 -4.018 -9.258 1.00 64.42 H new ATOM 0 HE22 GLN A 26 -18.566 -3.740 -10.453 1.00 64.42 H new ATOM 120 N PRO A 27 -18.874 -10.500 -8.728 1.00 65.14 N ATOM 121 CA PRO A 27 -19.566 -11.742 -9.085 1.00 53.21 C ATOM 122 C PRO A 27 -19.143 -12.270 -10.452 1.00 11.24 C ATOM 123 O PRO A 27 -19.569 -11.757 -11.485 1.00 52.33 O ATOM 124 CB PRO A 27 -21.041 -11.333 -9.103 1.00 51.53 C ATOM 125 CG PRO A 27 -21.123 -10.168 -8.178 1.00 25.03 C ATOM 126 CD PRO A 27 -19.802 -9.464 -8.245 1.00 62.23 C ATOM 0 HA PRO A 27 -19.341 -12.549 -8.387 1.00 53.21 H new ATOM 0 HB2 PRO A 27 -21.365 -11.064 -10.108 1.00 51.53 H new ATOM 0 HB3 PRO A 27 -21.682 -12.149 -8.770 1.00 51.53 H new ATOM 0 HG2 PRO A 27 -21.932 -9.499 -8.471 1.00 25.03 H new ATOM 0 HG3 PRO A 27 -21.334 -10.497 -7.160 1.00 25.03 H new ATOM 0 HD2 PRO A 27 -19.837 -8.611 -8.923 1.00 62.23 H new ATOM 0 HD3 PRO A 27 -19.502 -9.083 -7.269 1.00 62.23 H new ATOM 134 N GLY A 28 -18.302 -13.299 -10.449 1.00 24.43 N ATOM 135 CA GLY A 28 -17.835 -13.880 -11.694 1.00 53.24 C ATOM 136 C GLY A 28 -16.335 -14.095 -11.708 1.00 21.12 C ATOM 137 O GLY A 28 -15.829 -14.942 -12.445 1.00 10.50 O ATOM 0 H GLY A 28 -17.935 -13.741 -9.606 1.00 24.43 H new ATOM 0 HA2 GLY A 28 -18.337 -14.834 -11.857 1.00 53.24 H new ATOM 0 HA3 GLY A 28 -18.113 -13.228 -12.522 1.00 53.24 H new ATOM 141 N ASP A 29 -15.621 -13.327 -10.892 1.00 53.22 N ATOM 142 CA ASP A 29 -14.169 -13.437 -10.813 1.00 73.04 C ATOM 143 C ASP A 29 -13.759 -14.472 -9.771 1.00 23.22 C ATOM 144 O ASP A 29 -14.468 -14.696 -8.789 1.00 25.01 O ATOM 145 CB ASP A 29 -13.551 -12.080 -10.474 1.00 12.14 C ATOM 146 CG ASP A 29 -14.197 -10.942 -11.239 1.00 44.25 C ATOM 147 OD1 ASP A 29 -14.535 -11.141 -12.425 1.00 55.11 O ATOM 148 OD2 ASP A 29 -14.364 -9.852 -10.653 1.00 64.21 O ATOM 0 H ASP A 29 -16.024 -12.621 -10.276 1.00 53.22 H new ATOM 0 HA ASP A 29 -13.800 -13.762 -11.786 1.00 73.04 H new ATOM 0 HB2 ASP A 29 -13.649 -11.896 -9.404 1.00 12.14 H new ATOM 0 HB3 ASP A 29 -12.484 -12.104 -10.697 1.00 12.14 H new ATOM 153 N THR A 30 -12.609 -15.103 -9.991 1.00 52.10 N ATOM 154 CA THR A 30 -12.105 -16.116 -9.073 1.00 11.14 C ATOM 155 C THR A 30 -10.627 -15.897 -8.770 1.00 32.10 C ATOM 156 O THR A 30 -9.914 -15.254 -9.540 1.00 51.33 O ATOM 157 CB THR A 30 -12.296 -17.535 -9.641 1.00 55.30 C ATOM 158 OG1 THR A 30 -12.188 -17.509 -11.069 1.00 22.24 O ATOM 159 CG2 THR A 30 -13.651 -18.100 -9.240 1.00 62.05 C ATOM 0 H THR A 30 -12.009 -14.930 -10.798 1.00 52.10 H new ATOM 0 HA THR A 30 -12.680 -16.021 -8.152 1.00 11.14 H new ATOM 0 HB THR A 30 -11.516 -18.176 -9.229 1.00 55.30 H new ATOM 0 HG1 THR A 30 -12.309 -18.415 -11.423 1.00 22.24 H new ATOM 0 HG21 THR A 30 -13.764 -19.103 -9.652 1.00 62.05 H new ATOM 0 HG22 THR A 30 -13.719 -18.145 -8.153 1.00 62.05 H new ATOM 0 HG23 THR A 30 -14.442 -17.458 -9.627 1.00 62.05 H new ATOM 167 N PHE A 31 -10.172 -16.437 -7.644 1.00 53.10 N ATOM 168 CA PHE A 31 -8.778 -16.300 -7.239 1.00 60.15 C ATOM 169 C PHE A 31 -7.841 -16.728 -8.365 1.00 44.41 C ATOM 170 O PHE A 31 -6.923 -15.995 -8.735 1.00 52.10 O ATOM 171 CB PHE A 31 -8.504 -17.136 -5.987 1.00 42.43 C ATOM 172 CG PHE A 31 -8.736 -16.388 -4.705 1.00 73.33 C ATOM 173 CD1 PHE A 31 -7.784 -16.400 -3.699 1.00 10.50 C ATOM 174 CD2 PHE A 31 -9.907 -15.675 -4.506 1.00 75.14 C ATOM 175 CE1 PHE A 31 -7.995 -15.713 -2.518 1.00 44.41 C ATOM 176 CE2 PHE A 31 -10.123 -14.986 -3.328 1.00 34.10 C ATOM 177 CZ PHE A 31 -9.166 -15.006 -2.332 1.00 54.22 C ATOM 0 H PHE A 31 -10.749 -16.974 -6.996 1.00 53.10 H new ATOM 0 HA PHE A 31 -8.592 -15.250 -7.014 1.00 60.15 H new ATOM 0 HB2 PHE A 31 -9.142 -18.020 -6.003 1.00 42.43 H new ATOM 0 HB3 PHE A 31 -7.472 -17.487 -6.012 1.00 42.43 H new ATOM 0 HD1 PHE A 31 -6.866 -16.952 -3.839 1.00 10.50 H new ATOM 0 HD2 PHE A 31 -10.660 -15.658 -5.280 1.00 75.14 H new ATOM 0 HE1 PHE A 31 -7.244 -15.729 -1.742 1.00 44.41 H new ATOM 0 HE2 PHE A 31 -11.039 -14.432 -3.186 1.00 34.10 H new ATOM 0 HZ PHE A 31 -9.334 -14.470 -1.410 1.00 54.22 H new ATOM 187 N TRP A 32 -8.078 -17.918 -8.904 1.00 52.23 N ATOM 188 CA TRP A 32 -7.255 -18.444 -9.987 1.00 52.15 C ATOM 189 C TRP A 32 -7.282 -17.512 -11.194 1.00 11.13 C ATOM 190 O TRP A 32 -6.236 -17.118 -11.709 1.00 31.41 O ATOM 191 CB TRP A 32 -7.739 -19.837 -10.393 1.00 34.01 C ATOM 192 CG TRP A 32 -6.963 -20.428 -11.530 1.00 65.22 C ATOM 193 CD1 TRP A 32 -5.609 -20.599 -11.597 1.00 52.32 C ATOM 194 CD2 TRP A 32 -7.493 -20.925 -12.764 1.00 11.22 C ATOM 195 NE1 TRP A 32 -5.266 -21.171 -12.798 1.00 74.43 N ATOM 196 CE2 TRP A 32 -6.404 -21.382 -13.531 1.00 71.15 C ATOM 197 CE3 TRP A 32 -8.782 -21.030 -13.294 1.00 2.42 C ATOM 198 CZ2 TRP A 32 -6.567 -21.933 -14.800 1.00 31.34 C ATOM 199 CZ3 TRP A 32 -8.942 -21.577 -14.553 1.00 1.44 C ATOM 200 CH2 TRP A 32 -7.840 -22.024 -15.294 1.00 0.41 C ATOM 0 H TRP A 32 -8.833 -18.537 -8.609 1.00 52.23 H new ATOM 0 HA TRP A 32 -6.228 -18.514 -9.628 1.00 52.15 H new ATOM 0 HB2 TRP A 32 -7.672 -20.502 -9.532 1.00 34.01 H new ATOM 0 HB3 TRP A 32 -8.791 -19.781 -10.671 1.00 34.01 H new ATOM 0 HD1 TRP A 32 -4.911 -20.325 -10.820 1.00 52.32 H new ATOM 0 HE1 TRP A 32 -4.318 -21.401 -13.096 1.00 74.43 H new ATOM 0 HE3 TRP A 32 -9.638 -20.690 -12.730 1.00 2.42 H new ATOM 0 HZ2 TRP A 32 -5.719 -22.276 -15.374 1.00 31.34 H new ATOM 0 HZ3 TRP A 32 -9.933 -21.661 -14.973 1.00 1.44 H new ATOM 0 HH2 TRP A 32 -7.998 -22.449 -16.274 1.00 0.41 H new ATOM 211 N ALA A 33 -8.484 -17.162 -11.639 1.00 74.13 N ATOM 212 CA ALA A 33 -8.646 -16.274 -12.784 1.00 34.22 C ATOM 213 C ALA A 33 -7.841 -14.992 -12.602 1.00 52.02 C ATOM 214 O ALA A 33 -7.065 -14.607 -13.477 1.00 1.52 O ATOM 215 CB ALA A 33 -10.118 -15.950 -12.996 1.00 63.12 C ATOM 0 H ALA A 33 -9.360 -17.480 -11.224 1.00 74.13 H new ATOM 0 HA ALA A 33 -8.267 -16.787 -13.668 1.00 34.22 H new ATOM 0 HB1 ALA A 33 -10.225 -15.286 -13.854 1.00 63.12 H new ATOM 0 HB2 ALA A 33 -10.671 -16.871 -13.179 1.00 63.12 H new ATOM 0 HB3 ALA A 33 -10.514 -15.460 -12.107 1.00 63.12 H new ATOM 221 N ILE A 34 -8.032 -14.336 -11.463 1.00 3.33 N ATOM 222 CA ILE A 34 -7.322 -13.097 -11.167 1.00 73.13 C ATOM 223 C ILE A 34 -5.813 -13.316 -11.160 1.00 72.12 C ATOM 224 O ILE A 34 -5.050 -12.464 -11.614 1.00 71.35 O ATOM 225 CB ILE A 34 -7.751 -12.513 -9.808 1.00 54.14 C ATOM 226 CG1 ILE A 34 -9.259 -12.250 -9.795 1.00 24.14 C ATOM 227 CG2 ILE A 34 -6.982 -11.233 -9.515 1.00 74.25 C ATOM 228 CD1 ILE A 34 -9.833 -12.097 -8.404 1.00 4.15 C ATOM 0 H ILE A 34 -8.672 -14.641 -10.730 1.00 3.33 H new ATOM 0 HA ILE A 34 -7.580 -12.390 -11.955 1.00 73.13 H new ATOM 0 HB ILE A 34 -7.521 -13.239 -9.028 1.00 54.14 H new ATOM 0 HG12 ILE A 34 -9.467 -11.346 -10.367 1.00 24.14 H new ATOM 0 HG13 ILE A 34 -9.767 -13.071 -10.301 1.00 24.14 H new ATOM 0 HG21 ILE A 34 -7.296 -10.832 -8.551 1.00 74.25 H new ATOM 0 HG22 ILE A 34 -5.914 -11.448 -9.488 1.00 74.25 H new ATOM 0 HG23 ILE A 34 -7.184 -10.500 -10.296 1.00 74.25 H new ATOM 0 HD11 ILE A 34 -10.905 -11.913 -8.471 1.00 4.15 H new ATOM 0 HD12 ILE A 34 -9.656 -13.010 -7.835 1.00 4.15 H new ATOM 0 HD13 ILE A 34 -9.352 -11.258 -7.902 1.00 4.15 H new ATOM 240 N ALA A 35 -5.390 -14.465 -10.643 1.00 40.20 N ATOM 241 CA ALA A 35 -3.972 -14.798 -10.580 1.00 74.13 C ATOM 242 C ALA A 35 -3.356 -14.837 -11.974 1.00 65.54 C ATOM 243 O ALA A 35 -2.440 -14.073 -12.279 1.00 73.31 O ATOM 244 CB ALA A 35 -3.774 -16.132 -9.876 1.00 14.14 C ATOM 0 H ALA A 35 -6.009 -15.181 -10.262 1.00 40.20 H new ATOM 0 HA ALA A 35 -3.466 -14.020 -10.009 1.00 74.13 H new ATOM 0 HB1 ALA A 35 -2.711 -16.368 -9.836 1.00 14.14 H new ATOM 0 HB2 ALA A 35 -4.170 -16.071 -8.862 1.00 14.14 H new ATOM 0 HB3 ALA A 35 -4.299 -16.914 -10.424 1.00 14.14 H new ATOM 250 N GLN A 36 -3.862 -15.733 -12.816 1.00 14.14 N ATOM 251 CA GLN A 36 -3.359 -15.872 -14.177 1.00 51.11 C ATOM 252 C GLN A 36 -3.423 -14.541 -14.919 1.00 64.14 C ATOM 253 O GLN A 36 -2.655 -14.302 -15.851 1.00 43.04 O ATOM 254 CB GLN A 36 -4.162 -16.931 -14.935 1.00 12.34 C ATOM 255 CG GLN A 36 -5.654 -16.641 -14.986 1.00 64.53 C ATOM 256 CD GLN A 36 -6.427 -17.697 -15.753 1.00 5.24 C ATOM 257 OE1 GLN A 36 -6.399 -17.732 -16.983 1.00 51.42 O ATOM 258 NE2 GLN A 36 -7.122 -18.565 -15.027 1.00 62.03 N ATOM 0 H GLN A 36 -4.620 -16.373 -12.579 1.00 14.14 H new ATOM 0 HA GLN A 36 -2.317 -16.187 -14.122 1.00 51.11 H new ATOM 0 HB2 GLN A 36 -3.780 -17.006 -15.953 1.00 12.34 H new ATOM 0 HB3 GLN A 36 -4.005 -17.901 -14.464 1.00 12.34 H new ATOM 0 HG2 GLN A 36 -6.043 -16.578 -13.970 1.00 64.53 H new ATOM 0 HG3 GLN A 36 -5.816 -15.668 -15.451 1.00 64.53 H new ATOM 0 HE21 GLN A 36 -7.116 -18.498 -14.009 1.00 62.03 H new ATOM 0 HE22 GLN A 36 -7.661 -19.298 -15.487 1.00 62.03 H new ATOM 267 N ARG A 37 -4.343 -13.679 -14.500 1.00 43.32 N ATOM 268 CA ARG A 37 -4.507 -12.372 -15.127 1.00 33.55 C ATOM 269 C ARG A 37 -3.489 -11.376 -14.581 1.00 12.43 C ATOM 270 O ARG A 37 -3.073 -10.452 -15.281 1.00 30.25 O ATOM 271 CB ARG A 37 -5.925 -11.847 -14.896 1.00 35.54 C ATOM 272 CG ARG A 37 -6.916 -12.278 -15.965 1.00 31.42 C ATOM 273 CD ARG A 37 -6.617 -11.616 -17.301 1.00 31.14 C ATOM 274 NE ARG A 37 -7.728 -11.751 -18.239 1.00 40.11 N ATOM 275 CZ ARG A 37 -8.825 -11.003 -18.192 1.00 45.32 C ATOM 276 NH1 ARG A 37 -8.956 -10.071 -17.258 1.00 31.32 N ATOM 277 NH2 ARG A 37 -9.792 -11.185 -19.082 1.00 32.13 N ATOM 0 H ARG A 37 -4.986 -13.861 -13.730 1.00 43.32 H new ATOM 0 HA ARG A 37 -4.339 -12.486 -16.198 1.00 33.55 H new ATOM 0 HB2 ARG A 37 -6.278 -12.194 -13.925 1.00 35.54 H new ATOM 0 HB3 ARG A 37 -5.898 -10.758 -14.855 1.00 35.54 H new ATOM 0 HG2 ARG A 37 -6.882 -13.362 -16.079 1.00 31.42 H new ATOM 0 HG3 ARG A 37 -7.928 -12.022 -15.649 1.00 31.42 H new ATOM 0 HD2 ARG A 37 -6.403 -10.559 -17.142 1.00 31.14 H new ATOM 0 HD3 ARG A 37 -5.721 -12.061 -17.734 1.00 31.14 H new ATOM 0 HE ARG A 37 -7.658 -12.458 -18.970 1.00 40.11 H new ATOM 0 HH11 ARG A 37 -8.214 -9.927 -16.574 1.00 31.32 H new ATOM 0 HH12 ARG A 37 -9.799 -9.498 -17.224 1.00 31.32 H new ATOM 0 HH21 ARG A 37 -9.694 -11.900 -19.803 1.00 32.13 H new ATOM 0 HH22 ARG A 37 -10.634 -10.610 -19.045 1.00 32.13 H new ATOM 291 N ARG A 38 -3.093 -11.569 -13.327 1.00 10.11 N ATOM 292 CA ARG A 38 -2.125 -10.686 -12.687 1.00 34.13 C ATOM 293 C ARG A 38 -0.722 -11.281 -12.750 1.00 44.23 C ATOM 294 O ARG A 38 0.133 -10.971 -11.922 1.00 1.25 O ATOM 295 CB ARG A 38 -2.519 -10.434 -11.230 1.00 24.21 C ATOM 296 CG ARG A 38 -3.912 -9.850 -11.068 1.00 14.14 C ATOM 297 CD ARG A 38 -3.887 -8.330 -11.102 1.00 44.24 C ATOM 298 NE ARG A 38 -3.423 -7.820 -12.390 1.00 3.43 N ATOM 299 CZ ARG A 38 -4.192 -7.741 -13.470 1.00 31.33 C ATOM 300 NH1 ARG A 38 -5.456 -8.138 -13.417 1.00 53.52 N ATOM 301 NH2 ARG A 38 -3.697 -7.265 -14.605 1.00 73.42 N ATOM 0 H ARG A 38 -3.427 -12.329 -12.734 1.00 10.11 H new ATOM 0 HA ARG A 38 -2.123 -9.738 -13.225 1.00 34.13 H new ATOM 0 HB2 ARG A 38 -2.462 -11.373 -10.679 1.00 24.21 H new ATOM 0 HB3 ARG A 38 -1.795 -9.755 -10.779 1.00 24.21 H new ATOM 0 HG2 ARG A 38 -4.558 -10.222 -11.863 1.00 14.14 H new ATOM 0 HG3 ARG A 38 -4.341 -10.187 -10.124 1.00 14.14 H new ATOM 0 HD2 ARG A 38 -4.887 -7.946 -10.899 1.00 44.24 H new ATOM 0 HD3 ARG A 38 -3.236 -7.960 -10.310 1.00 44.24 H new ATOM 0 HE ARG A 38 -2.455 -7.507 -12.464 1.00 3.43 H new ATOM 0 HH11 ARG A 38 -5.839 -8.505 -12.546 1.00 53.52 H new ATOM 0 HH12 ARG A 38 -6.045 -8.077 -14.247 1.00 53.52 H new ATOM 0 HH21 ARG A 38 -2.725 -6.959 -14.649 1.00 73.42 H new ATOM 0 HH22 ARG A 38 -4.288 -7.205 -15.434 1.00 73.42 H new ATOM 315 N GLY A 39 -0.492 -12.138 -13.740 1.00 63.14 N ATOM 316 CA GLY A 39 0.809 -12.763 -13.893 1.00 60.14 C ATOM 317 C GLY A 39 1.289 -13.423 -12.616 1.00 61.00 C ATOM 318 O GLY A 39 2.462 -13.318 -12.256 1.00 42.01 O ATOM 0 H GLY A 39 -1.183 -12.411 -14.439 1.00 63.14 H new ATOM 0 HA2 GLY A 39 0.760 -13.508 -14.687 1.00 60.14 H new ATOM 0 HA3 GLY A 39 1.535 -12.012 -14.205 1.00 60.14 H new ATOM 322 N THR A 40 0.380 -14.105 -11.926 1.00 51.01 N ATOM 323 CA THR A 40 0.716 -14.782 -10.680 1.00 73.10 C ATOM 324 C THR A 40 -0.213 -15.964 -10.429 1.00 71.52 C ATOM 325 O THR A 40 -1.068 -16.283 -11.256 1.00 54.42 O ATOM 326 CB THR A 40 0.639 -13.820 -9.480 1.00 1.04 C ATOM 327 OG1 THR A 40 1.266 -14.412 -8.336 1.00 73.33 O ATOM 328 CG2 THR A 40 -0.806 -13.478 -9.152 1.00 14.14 C ATOM 0 H THR A 40 -0.595 -14.203 -12.209 1.00 51.01 H new ATOM 0 HA THR A 40 1.739 -15.143 -10.782 1.00 73.10 H new ATOM 0 HB THR A 40 1.162 -12.901 -9.746 1.00 1.04 H new ATOM 0 HG1 THR A 40 2.002 -14.989 -8.628 1.00 73.33 H new ATOM 0 HG21 THR A 40 -0.835 -12.797 -8.301 1.00 14.14 H new ATOM 0 HG22 THR A 40 -1.272 -13.001 -10.014 1.00 14.14 H new ATOM 0 HG23 THR A 40 -1.349 -14.390 -8.905 1.00 14.14 H new ATOM 336 N THR A 41 -0.041 -16.614 -9.282 1.00 3.42 N ATOM 337 CA THR A 41 -0.863 -17.762 -8.922 1.00 54.41 C ATOM 338 C THR A 41 -1.664 -17.489 -7.654 1.00 2.32 C ATOM 339 O THR A 41 -1.454 -16.480 -6.980 1.00 43.00 O ATOM 340 CB THR A 41 -0.006 -19.024 -8.713 1.00 3.24 C ATOM 341 OG1 THR A 41 1.088 -18.733 -7.835 1.00 13.02 O ATOM 342 CG2 THR A 41 0.527 -19.543 -10.040 1.00 1.53 C ATOM 0 H THR A 41 0.661 -16.364 -8.586 1.00 3.42 H new ATOM 0 HA THR A 41 -1.549 -17.932 -9.752 1.00 54.41 H new ATOM 0 HB THR A 41 -0.636 -19.794 -8.267 1.00 3.24 H new ATOM 0 HG1 THR A 41 1.627 -19.541 -7.706 1.00 13.02 H new ATOM 0 HG21 THR A 41 1.129 -20.435 -9.866 1.00 1.53 H new ATOM 0 HG22 THR A 41 -0.308 -19.791 -10.695 1.00 1.53 H new ATOM 0 HG23 THR A 41 1.142 -18.776 -10.510 1.00 1.53 H new ATOM 350 N VAL A 42 -2.582 -18.394 -7.333 1.00 34.32 N ATOM 351 CA VAL A 42 -3.414 -18.252 -6.143 1.00 45.24 C ATOM 352 C VAL A 42 -2.559 -18.087 -4.892 1.00 25.20 C ATOM 353 O VAL A 42 -2.937 -17.380 -3.958 1.00 20.54 O ATOM 354 CB VAL A 42 -4.344 -19.465 -5.960 1.00 60.52 C ATOM 355 CG1 VAL A 42 -5.210 -19.293 -4.722 1.00 0.53 C ATOM 356 CG2 VAL A 42 -5.204 -19.668 -7.198 1.00 73.43 C ATOM 0 H VAL A 42 -2.769 -19.234 -7.880 1.00 34.32 H new ATOM 0 HA VAL A 42 -4.021 -17.358 -6.286 1.00 45.24 H new ATOM 0 HB VAL A 42 -3.729 -20.354 -5.823 1.00 60.52 H new ATOM 0 HG11 VAL A 42 -5.860 -20.160 -4.610 1.00 0.53 H new ATOM 0 HG12 VAL A 42 -4.573 -19.201 -3.842 1.00 0.53 H new ATOM 0 HG13 VAL A 42 -5.818 -18.394 -4.825 1.00 0.53 H new ATOM 0 HG21 VAL A 42 -5.855 -20.530 -7.051 1.00 73.43 H new ATOM 0 HG22 VAL A 42 -5.811 -18.779 -7.369 1.00 73.43 H new ATOM 0 HG23 VAL A 42 -4.563 -19.841 -8.062 1.00 73.43 H new ATOM 366 N ASP A 43 -1.404 -18.744 -4.881 1.00 2.13 N ATOM 367 CA ASP A 43 -0.493 -18.669 -3.744 1.00 60.53 C ATOM 368 C ASP A 43 -0.212 -17.218 -3.367 1.00 72.20 C ATOM 369 O ASP A 43 -0.242 -16.854 -2.191 1.00 72.43 O ATOM 370 CB ASP A 43 0.818 -19.389 -4.066 1.00 51.41 C ATOM 371 CG ASP A 43 1.596 -19.761 -2.819 1.00 14.50 C ATOM 372 OD1 ASP A 43 2.239 -18.865 -2.231 1.00 72.54 O ATOM 373 OD2 ASP A 43 1.560 -20.946 -2.430 1.00 22.50 O ATOM 0 H ASP A 43 -1.077 -19.334 -5.646 1.00 2.13 H new ATOM 0 HA ASP A 43 -0.969 -19.160 -2.895 1.00 60.53 H new ATOM 0 HB2 ASP A 43 0.602 -20.291 -4.639 1.00 51.41 H new ATOM 0 HB3 ASP A 43 1.434 -18.750 -4.698 1.00 51.41 H new ATOM 378 N VAL A 44 0.062 -16.393 -4.373 1.00 31.14 N ATOM 379 CA VAL A 44 0.348 -14.981 -4.147 1.00 23.52 C ATOM 380 C VAL A 44 -0.937 -14.183 -3.958 1.00 62.34 C ATOM 381 O VAL A 44 -1.032 -13.343 -3.064 1.00 4.52 O ATOM 382 CB VAL A 44 1.148 -14.377 -5.316 1.00 24.11 C ATOM 383 CG1 VAL A 44 1.615 -12.970 -4.973 1.00 72.43 C ATOM 384 CG2 VAL A 44 2.330 -15.268 -5.669 1.00 53.04 C ATOM 0 H VAL A 44 0.092 -16.678 -5.352 1.00 31.14 H new ATOM 0 HA VAL A 44 0.946 -14.921 -3.238 1.00 23.52 H new ATOM 0 HB VAL A 44 0.495 -14.316 -6.187 1.00 24.11 H new ATOM 0 HG11 VAL A 44 2.179 -12.559 -5.811 1.00 72.43 H new ATOM 0 HG12 VAL A 44 0.750 -12.338 -4.773 1.00 72.43 H new ATOM 0 HG13 VAL A 44 2.252 -13.003 -4.089 1.00 72.43 H new ATOM 0 HG21 VAL A 44 2.884 -14.826 -6.497 1.00 53.04 H new ATOM 0 HG22 VAL A 44 2.985 -15.363 -4.803 1.00 53.04 H new ATOM 0 HG23 VAL A 44 1.968 -16.254 -5.960 1.00 53.04 H new ATOM 394 N ILE A 45 -1.924 -14.452 -4.807 1.00 25.44 N ATOM 395 CA ILE A 45 -3.204 -13.760 -4.732 1.00 71.24 C ATOM 396 C ILE A 45 -3.834 -13.915 -3.352 1.00 65.02 C ATOM 397 O ILE A 45 -4.625 -13.076 -2.923 1.00 73.23 O ATOM 398 CB ILE A 45 -4.189 -14.283 -5.795 1.00 1.30 C ATOM 399 CG1 ILE A 45 -3.623 -14.062 -7.199 1.00 64.21 C ATOM 400 CG2 ILE A 45 -5.539 -13.597 -5.649 1.00 0.23 C ATOM 401 CD1 ILE A 45 -3.435 -12.603 -7.553 1.00 33.41 C ATOM 0 H ILE A 45 -1.861 -15.144 -5.554 1.00 25.44 H new ATOM 0 HA ILE A 45 -3.004 -12.705 -4.920 1.00 71.24 H new ATOM 0 HB ILE A 45 -4.329 -15.353 -5.644 1.00 1.30 H new ATOM 0 HG12 ILE A 45 -2.664 -14.573 -7.280 1.00 64.21 H new ATOM 0 HG13 ILE A 45 -4.291 -14.521 -7.928 1.00 64.21 H new ATOM 0 HG21 ILE A 45 -6.224 -13.977 -6.407 1.00 0.23 H new ATOM 0 HG22 ILE A 45 -5.945 -13.800 -4.658 1.00 0.23 H new ATOM 0 HG23 ILE A 45 -5.416 -12.522 -5.777 1.00 0.23 H new ATOM 0 HD11 ILE A 45 -3.031 -12.523 -8.562 1.00 33.41 H new ATOM 0 HD12 ILE A 45 -4.396 -12.090 -7.505 1.00 33.41 H new ATOM 0 HD13 ILE A 45 -2.743 -12.144 -6.847 1.00 33.41 H new ATOM 413 N GLN A 46 -3.474 -14.992 -2.661 1.00 72.25 N ATOM 414 CA GLN A 46 -4.003 -15.256 -1.329 1.00 34.14 C ATOM 415 C GLN A 46 -3.018 -14.810 -0.254 1.00 11.35 C ATOM 416 O GLN A 46 -3.409 -14.220 0.754 1.00 43.01 O ATOM 417 CB GLN A 46 -4.314 -16.745 -1.166 1.00 12.02 C ATOM 418 CG GLN A 46 -5.252 -17.048 -0.008 1.00 41.32 C ATOM 419 CD GLN A 46 -5.174 -18.493 0.443 1.00 54.10 C ATOM 420 OE1 GLN A 46 -4.793 -18.782 1.578 1.00 42.55 O ATOM 421 NE2 GLN A 46 -5.537 -19.411 -0.445 1.00 53.12 N ATOM 0 H GLN A 46 -2.818 -15.695 -3.002 1.00 72.25 H new ATOM 0 HA GLN A 46 -4.924 -14.685 -1.212 1.00 34.14 H new ATOM 0 HB2 GLN A 46 -4.758 -17.118 -2.089 1.00 12.02 H new ATOM 0 HB3 GLN A 46 -3.381 -17.288 -1.018 1.00 12.02 H new ATOM 0 HG2 GLN A 46 -5.010 -16.396 0.831 1.00 41.32 H new ATOM 0 HG3 GLN A 46 -6.275 -16.819 -0.305 1.00 41.32 H new ATOM 0 HE21 GLN A 46 -5.846 -19.127 -1.375 1.00 53.12 H new ATOM 0 HE22 GLN A 46 -5.507 -20.400 -0.198 1.00 53.12 H new ATOM 430 N SER A 47 -1.739 -15.095 -0.475 1.00 21.23 N ATOM 431 CA SER A 47 -0.698 -14.727 0.477 1.00 3.24 C ATOM 432 C SER A 47 -0.740 -13.231 0.777 1.00 32.41 C ATOM 433 O SER A 47 -0.527 -12.808 1.914 1.00 40.21 O ATOM 434 CB SER A 47 0.680 -15.110 -0.067 1.00 74.40 C ATOM 435 OG SER A 47 1.714 -14.604 0.759 1.00 34.22 O ATOM 0 H SER A 47 -1.399 -15.580 -1.305 1.00 21.23 H new ATOM 0 HA SER A 47 -0.879 -15.272 1.404 1.00 3.24 H new ATOM 0 HB2 SER A 47 0.760 -16.195 -0.131 1.00 74.40 H new ATOM 0 HB3 SER A 47 0.796 -14.721 -1.079 1.00 74.40 H new ATOM 0 HG SER A 47 2.584 -14.864 0.390 1.00 34.22 H new ATOM 441 N LEU A 48 -1.017 -12.436 -0.250 1.00 62.34 N ATOM 442 CA LEU A 48 -1.088 -10.987 -0.099 1.00 62.10 C ATOM 443 C LEU A 48 -2.294 -10.586 0.745 1.00 64.13 C ATOM 444 O LEU A 48 -2.308 -9.519 1.356 1.00 12.21 O ATOM 445 CB LEU A 48 -1.164 -10.314 -1.471 1.00 34.43 C ATOM 446 CG LEU A 48 0.173 -10.045 -2.162 1.00 12.44 C ATOM 447 CD1 LEU A 48 -0.029 -9.845 -3.656 1.00 0.24 C ATOM 448 CD2 LEU A 48 0.856 -8.831 -1.547 1.00 35.52 C ATOM 0 H LEU A 48 -1.196 -12.770 -1.197 1.00 62.34 H new ATOM 0 HA LEU A 48 -0.184 -10.655 0.412 1.00 62.10 H new ATOM 0 HB2 LEU A 48 -1.770 -10.939 -2.127 1.00 34.43 H new ATOM 0 HB3 LEU A 48 -1.690 -9.366 -1.360 1.00 34.43 H new ATOM 0 HG LEU A 48 0.817 -10.912 -2.016 1.00 12.44 H new ATOM 0 HD11 LEU A 48 0.933 -9.655 -4.131 1.00 0.24 H new ATOM 0 HD12 LEU A 48 -0.475 -10.742 -4.086 1.00 0.24 H new ATOM 0 HD13 LEU A 48 -0.690 -8.995 -3.823 1.00 0.24 H new ATOM 0 HD21 LEU A 48 1.806 -8.654 -2.051 1.00 35.52 H new ATOM 0 HD22 LEU A 48 0.216 -7.956 -1.662 1.00 35.52 H new ATOM 0 HD23 LEU A 48 1.036 -9.012 -0.487 1.00 35.52 H new ATOM 460 N ASN A 49 -3.303 -11.451 0.774 1.00 5.22 N ATOM 461 CA ASN A 49 -4.513 -11.187 1.545 1.00 65.54 C ATOM 462 C ASN A 49 -4.819 -12.346 2.489 1.00 72.03 C ATOM 463 O ASN A 49 -5.742 -13.131 2.269 1.00 41.10 O ATOM 464 CB ASN A 49 -5.698 -10.952 0.607 1.00 51.34 C ATOM 465 CG ASN A 49 -5.363 -9.993 -0.520 1.00 24.14 C ATOM 466 OD1 ASN A 49 -5.487 -8.777 -0.373 1.00 35.24 O ATOM 467 ND2 ASN A 49 -4.934 -10.538 -1.652 1.00 73.03 N ATOM 0 H ASN A 49 -3.307 -12.340 0.273 1.00 5.22 H new ATOM 0 HA ASN A 49 -4.347 -10.290 2.141 1.00 65.54 H new ATOM 0 HB2 ASN A 49 -6.019 -11.905 0.186 1.00 51.34 H new ATOM 0 HB3 ASN A 49 -6.538 -10.557 1.179 1.00 51.34 H new ATOM 0 HD21 ASN A 49 -4.692 -9.943 -2.445 1.00 73.03 H new ATOM 0 HD22 ASN A 49 -4.847 -11.551 -1.729 1.00 73.03 H new ATOM 474 N PRO A 50 -4.028 -12.457 3.566 1.00 0.41 N ATOM 475 CA PRO A 50 -4.196 -13.515 4.566 1.00 21.12 C ATOM 476 C PRO A 50 -5.464 -13.335 5.394 1.00 4.42 C ATOM 477 O PRO A 50 -6.068 -14.308 5.842 1.00 72.02 O ATOM 478 CB PRO A 50 -2.955 -13.368 5.450 1.00 64.31 C ATOM 479 CG PRO A 50 -2.549 -11.943 5.299 1.00 2.12 C ATOM 480 CD PRO A 50 -2.909 -11.556 3.891 1.00 21.43 C ATOM 0 HA PRO A 50 -4.295 -14.498 4.106 1.00 21.12 H new ATOM 0 HB2 PRO A 50 -3.179 -13.608 6.489 1.00 64.31 H new ATOM 0 HB3 PRO A 50 -2.160 -14.042 5.131 1.00 64.31 H new ATOM 0 HG2 PRO A 50 -3.066 -11.311 6.021 1.00 2.12 H new ATOM 0 HG3 PRO A 50 -1.480 -11.821 5.476 1.00 2.12 H new ATOM 0 HD2 PRO A 50 -3.204 -10.509 3.825 1.00 21.43 H new ATOM 0 HD3 PRO A 50 -2.070 -11.695 3.209 1.00 21.43 H new ATOM 488 N GLY A 51 -5.861 -12.082 5.594 1.00 53.41 N ATOM 489 CA GLY A 51 -7.056 -11.797 6.368 1.00 45.23 C ATOM 490 C GLY A 51 -8.285 -12.486 5.811 1.00 73.13 C ATOM 491 O GLY A 51 -9.156 -12.923 6.564 1.00 41.32 O ATOM 0 H GLY A 51 -5.377 -11.259 5.234 1.00 53.41 H new ATOM 0 HA2 GLY A 51 -6.901 -12.114 7.399 1.00 45.23 H new ATOM 0 HA3 GLY A 51 -7.224 -10.720 6.388 1.00 45.23 H new ATOM 495 N VAL A 52 -8.359 -12.583 4.487 1.00 20.21 N ATOM 496 CA VAL A 52 -9.492 -13.224 3.829 1.00 3.43 C ATOM 497 C VAL A 52 -9.189 -14.684 3.512 1.00 52.31 C ATOM 498 O VAL A 52 -8.032 -15.065 3.336 1.00 30.43 O ATOM 499 CB VAL A 52 -9.870 -12.494 2.527 1.00 72.24 C ATOM 500 CG1 VAL A 52 -10.386 -11.096 2.828 1.00 14.53 C ATOM 501 CG2 VAL A 52 -8.679 -12.440 1.582 1.00 52.42 C ATOM 0 H VAL A 52 -7.648 -12.226 3.849 1.00 20.21 H new ATOM 0 HA VAL A 52 -10.332 -13.173 4.522 1.00 3.43 H new ATOM 0 HB VAL A 52 -10.669 -13.051 2.037 1.00 72.24 H new ATOM 0 HG11 VAL A 52 -10.648 -10.596 1.895 1.00 14.53 H new ATOM 0 HG12 VAL A 52 -11.269 -11.163 3.464 1.00 14.53 H new ATOM 0 HG13 VAL A 52 -9.612 -10.525 3.341 1.00 14.53 H new ATOM 0 HG21 VAL A 52 -8.964 -11.921 0.667 1.00 52.42 H new ATOM 0 HG22 VAL A 52 -7.858 -11.907 2.061 1.00 52.42 H new ATOM 0 HG23 VAL A 52 -8.361 -13.454 1.340 1.00 52.42 H new ATOM 511 N VAL A 53 -10.238 -15.497 3.439 1.00 61.40 N ATOM 512 CA VAL A 53 -10.085 -16.916 3.141 1.00 73.42 C ATOM 513 C VAL A 53 -11.005 -17.340 2.001 1.00 65.41 C ATOM 514 O VAL A 53 -12.030 -16.714 1.731 1.00 23.12 O ATOM 515 CB VAL A 53 -10.384 -17.785 4.377 1.00 34.01 C ATOM 516 CG1 VAL A 53 -9.207 -17.768 5.340 1.00 43.15 C ATOM 517 CG2 VAL A 53 -11.654 -17.310 5.067 1.00 53.11 C ATOM 0 H VAL A 53 -11.202 -15.197 3.582 1.00 61.40 H new ATOM 0 HA VAL A 53 -9.047 -17.067 2.843 1.00 73.42 H new ATOM 0 HB VAL A 53 -10.538 -18.813 4.048 1.00 34.01 H new ATOM 0 HG11 VAL A 53 -9.437 -18.387 6.207 1.00 43.15 H new ATOM 0 HG12 VAL A 53 -8.321 -18.159 4.839 1.00 43.15 H new ATOM 0 HG13 VAL A 53 -9.018 -16.745 5.665 1.00 43.15 H new ATOM 0 HG21 VAL A 53 -11.850 -17.935 5.938 1.00 53.11 H new ATOM 0 HG22 VAL A 53 -11.530 -16.274 5.384 1.00 53.11 H new ATOM 0 HG23 VAL A 53 -12.492 -17.380 4.374 1.00 53.11 H new ATOM 527 N PRO A 54 -10.631 -18.430 1.314 1.00 34.52 N ATOM 528 CA PRO A 54 -11.409 -18.964 0.192 1.00 14.11 C ATOM 529 C PRO A 54 -12.730 -19.580 0.643 1.00 44.31 C ATOM 530 O PRO A 54 -13.690 -19.648 -0.125 1.00 63.34 O ATOM 531 CB PRO A 54 -10.492 -20.038 -0.397 1.00 22.32 C ATOM 532 CG PRO A 54 -9.621 -20.456 0.737 1.00 4.54 C ATOM 533 CD PRO A 54 -9.422 -19.227 1.581 1.00 44.54 C ATOM 0 HA PRO A 54 -11.687 -18.185 -0.518 1.00 14.11 H new ATOM 0 HB2 PRO A 54 -11.066 -20.879 -0.786 1.00 22.32 H new ATOM 0 HB3 PRO A 54 -9.902 -19.644 -1.225 1.00 22.32 H new ATOM 0 HG2 PRO A 54 -10.088 -21.254 1.314 1.00 4.54 H new ATOM 0 HG3 PRO A 54 -8.667 -20.840 0.376 1.00 4.54 H new ATOM 0 HD2 PRO A 54 -9.330 -19.476 2.638 1.00 44.54 H new ATOM 0 HD3 PRO A 54 -8.516 -18.689 1.301 1.00 44.54 H new ATOM 541 N THR A 55 -12.772 -20.027 1.894 1.00 12.12 N ATOM 542 CA THR A 55 -13.974 -20.638 2.447 1.00 14.51 C ATOM 543 C THR A 55 -15.052 -19.592 2.708 1.00 54.33 C ATOM 544 O THR A 55 -16.246 -19.890 2.655 1.00 24.14 O ATOM 545 CB THR A 55 -13.672 -21.385 3.760 1.00 52.23 C ATOM 546 OG1 THR A 55 -12.383 -22.003 3.686 1.00 62.34 O ATOM 547 CG2 THR A 55 -14.731 -22.441 4.037 1.00 15.25 C ATOM 0 H THR A 55 -11.987 -19.977 2.544 1.00 12.12 H new ATOM 0 HA THR A 55 -14.335 -21.352 1.706 1.00 14.51 H new ATOM 0 HB THR A 55 -13.681 -20.661 4.575 1.00 52.23 H new ATOM 0 HG1 THR A 55 -12.198 -22.474 4.525 1.00 62.34 H new ATOM 0 HG21 THR A 55 -14.497 -22.955 4.969 1.00 15.25 H new ATOM 0 HG22 THR A 55 -15.707 -21.964 4.121 1.00 15.25 H new ATOM 0 HG23 THR A 55 -14.749 -23.162 3.219 1.00 15.25 H new ATOM 555 N ARG A 56 -14.625 -18.365 2.988 1.00 44.11 N ATOM 556 CA ARG A 56 -15.554 -17.275 3.257 1.00 13.42 C ATOM 557 C ARG A 56 -15.502 -16.229 2.147 1.00 5.34 C ATOM 558 O ARG A 56 -15.566 -15.027 2.409 1.00 52.32 O ATOM 559 CB ARG A 56 -15.233 -16.622 4.603 1.00 25.40 C ATOM 560 CG ARG A 56 -15.007 -17.622 5.726 1.00 43.23 C ATOM 561 CD ARG A 56 -16.216 -18.523 5.921 1.00 41.01 C ATOM 562 NE ARG A 56 -17.430 -17.758 6.192 1.00 32.42 N ATOM 563 CZ ARG A 56 -17.663 -17.132 7.340 1.00 0.31 C ATOM 564 NH1 ARG A 56 -16.769 -17.178 8.318 1.00 63.31 N ATOM 565 NH2 ARG A 56 -18.792 -16.456 7.511 1.00 31.05 N ATOM 0 H ARG A 56 -13.641 -18.101 3.034 1.00 44.11 H new ATOM 0 HA ARG A 56 -16.561 -17.691 3.294 1.00 13.42 H new ATOM 0 HB2 ARG A 56 -14.342 -16.003 4.494 1.00 25.40 H new ATOM 0 HB3 ARG A 56 -16.051 -15.957 4.879 1.00 25.40 H new ATOM 0 HG2 ARG A 56 -14.131 -18.230 5.502 1.00 43.23 H new ATOM 0 HG3 ARG A 56 -14.796 -17.088 6.653 1.00 43.23 H new ATOM 0 HD2 ARG A 56 -16.362 -19.131 5.029 1.00 41.01 H new ATOM 0 HD3 ARG A 56 -16.028 -19.209 6.747 1.00 41.01 H new ATOM 0 HE ARG A 56 -18.138 -17.701 5.460 1.00 32.42 H new ATOM 0 HH11 ARG A 56 -15.899 -17.695 8.190 1.00 63.31 H new ATOM 0 HH12 ARG A 56 -16.951 -16.696 9.198 1.00 63.31 H new ATOM 0 HH21 ARG A 56 -19.482 -16.417 6.761 1.00 31.05 H new ATOM 0 HH22 ARG A 56 -18.970 -15.976 8.393 1.00 31.05 H new ATOM 579 N LEU A 57 -15.383 -16.694 0.909 1.00 53.44 N ATOM 580 CA LEU A 57 -15.321 -15.799 -0.242 1.00 13.32 C ATOM 581 C LEU A 57 -16.704 -15.250 -0.580 1.00 62.32 C ATOM 582 O LEU A 57 -17.667 -16.006 -0.707 1.00 11.33 O ATOM 583 CB LEU A 57 -14.741 -16.532 -1.452 1.00 44.33 C ATOM 584 CG LEU A 57 -14.213 -15.648 -2.583 1.00 11.42 C ATOM 585 CD1 LEU A 57 -13.118 -16.366 -3.356 1.00 31.12 C ATOM 586 CD2 LEU A 57 -15.346 -15.240 -3.514 1.00 3.44 C ATOM 0 H LEU A 57 -15.327 -17.685 0.676 1.00 53.44 H new ATOM 0 HA LEU A 57 -14.671 -14.962 0.014 1.00 13.32 H new ATOM 0 HB2 LEU A 57 -13.928 -17.172 -1.109 1.00 44.33 H new ATOM 0 HB3 LEU A 57 -15.512 -17.186 -1.859 1.00 44.33 H new ATOM 0 HG LEU A 57 -13.787 -14.746 -2.144 1.00 11.42 H new ATOM 0 HD11 LEU A 57 -12.755 -15.721 -4.156 1.00 31.12 H new ATOM 0 HD12 LEU A 57 -12.295 -16.607 -2.683 1.00 31.12 H new ATOM 0 HD13 LEU A 57 -13.518 -17.285 -3.784 1.00 31.12 H new ATOM 0 HD21 LEU A 57 -14.952 -14.611 -4.313 1.00 3.44 H new ATOM 0 HD22 LEU A 57 -15.802 -16.131 -3.945 1.00 3.44 H new ATOM 0 HD23 LEU A 57 -16.097 -14.685 -2.952 1.00 3.44 H new ATOM 598 N GLN A 58 -16.792 -13.932 -0.727 1.00 72.32 N ATOM 599 CA GLN A 58 -18.057 -13.284 -1.053 1.00 1.43 C ATOM 600 C GLN A 58 -17.883 -12.299 -2.204 1.00 71.14 C ATOM 601 O GLN A 58 -16.981 -11.461 -2.188 1.00 35.02 O ATOM 602 CB GLN A 58 -18.613 -12.559 0.174 1.00 0.41 C ATOM 603 CG GLN A 58 -20.130 -12.462 0.188 1.00 20.00 C ATOM 604 CD GLN A 58 -20.642 -11.216 -0.508 1.00 61.52 C ATOM 605 OE1 GLN A 58 -21.413 -11.298 -1.465 1.00 30.43 O ATOM 606 NE2 GLN A 58 -20.215 -10.053 -0.031 1.00 21.33 N ATOM 0 H GLN A 58 -16.004 -13.293 -0.626 1.00 72.32 H new ATOM 0 HA GLN A 58 -18.763 -14.055 -1.362 1.00 1.43 H new ATOM 0 HB2 GLN A 58 -18.282 -13.078 1.073 1.00 0.41 H new ATOM 0 HB3 GLN A 58 -18.193 -11.554 0.213 1.00 0.41 H new ATOM 0 HG2 GLN A 58 -20.551 -13.343 -0.296 1.00 20.00 H new ATOM 0 HG3 GLN A 58 -20.481 -12.467 1.220 1.00 20.00 H new ATOM 0 HE21 GLN A 58 -19.576 -10.031 0.764 1.00 21.33 H new ATOM 0 HE22 GLN A 58 -20.526 -9.181 -0.459 1.00 21.33 H new ATOM 615 N VAL A 59 -18.752 -12.406 -3.205 1.00 32.55 N ATOM 616 CA VAL A 59 -18.695 -11.525 -4.365 1.00 34.23 C ATOM 617 C VAL A 59 -18.835 -10.064 -3.952 1.00 62.13 C ATOM 618 O VAL A 59 -19.615 -9.731 -3.061 1.00 23.52 O ATOM 619 CB VAL A 59 -19.798 -11.867 -5.384 1.00 35.12 C ATOM 620 CG1 VAL A 59 -19.671 -13.311 -5.844 1.00 74.30 C ATOM 621 CG2 VAL A 59 -21.174 -11.608 -4.787 1.00 25.11 C ATOM 0 H VAL A 59 -19.504 -13.095 -3.235 1.00 32.55 H new ATOM 0 HA VAL A 59 -17.721 -11.677 -4.831 1.00 34.23 H new ATOM 0 HB VAL A 59 -19.677 -11.222 -6.254 1.00 35.12 H new ATOM 0 HG11 VAL A 59 -20.459 -13.534 -6.564 1.00 74.30 H new ATOM 0 HG12 VAL A 59 -18.698 -13.459 -6.313 1.00 74.30 H new ATOM 0 HG13 VAL A 59 -19.765 -13.976 -4.985 1.00 74.30 H new ATOM 0 HG21 VAL A 59 -21.941 -11.855 -5.521 1.00 25.11 H new ATOM 0 HG22 VAL A 59 -21.308 -12.227 -3.900 1.00 25.11 H new ATOM 0 HG23 VAL A 59 -21.260 -10.557 -4.513 1.00 25.11 H new ATOM 631 N GLY A 60 -18.073 -9.194 -4.608 1.00 62.25 N ATOM 632 CA GLY A 60 -18.126 -7.778 -4.296 1.00 54.14 C ATOM 633 C GLY A 60 -17.170 -7.393 -3.185 1.00 53.51 C ATOM 634 O GLY A 60 -17.531 -6.638 -2.282 1.00 21.41 O ATOM 0 H GLY A 60 -17.420 -9.445 -5.350 1.00 62.25 H new ATOM 0 HA2 GLY A 60 -17.889 -7.203 -5.191 1.00 54.14 H new ATOM 0 HA3 GLY A 60 -19.142 -7.511 -4.006 1.00 54.14 H new ATOM 638 N GLN A 61 -15.949 -7.913 -3.251 1.00 1.54 N ATOM 639 CA GLN A 61 -14.939 -7.620 -2.240 1.00 53.31 C ATOM 640 C GLN A 61 -13.617 -7.227 -2.890 1.00 3.51 C ATOM 641 O GLN A 61 -13.182 -7.845 -3.862 1.00 34.24 O ATOM 642 CB GLN A 61 -14.733 -8.831 -1.329 1.00 12.12 C ATOM 643 CG GLN A 61 -13.861 -8.540 -0.118 1.00 63.15 C ATOM 644 CD GLN A 61 -14.075 -9.532 1.007 1.00 21.44 C ATOM 645 OE1 GLN A 61 -14.256 -9.148 2.163 1.00 23.12 O ATOM 646 NE2 GLN A 61 -14.056 -10.818 0.675 1.00 30.03 N ATOM 0 H GLN A 61 -15.635 -8.539 -3.993 1.00 1.54 H new ATOM 0 HA GLN A 61 -15.293 -6.780 -1.642 1.00 53.31 H new ATOM 0 HB2 GLN A 61 -15.705 -9.189 -0.989 1.00 12.12 H new ATOM 0 HB3 GLN A 61 -14.281 -9.637 -1.907 1.00 12.12 H new ATOM 0 HG2 GLN A 61 -12.813 -8.557 -0.417 1.00 63.15 H new ATOM 0 HG3 GLN A 61 -14.073 -7.534 0.244 1.00 63.15 H new ATOM 0 HE21 GLN A 61 -13.903 -11.092 -0.295 1.00 30.03 H new ATOM 0 HE22 GLN A 61 -14.195 -11.532 1.391 1.00 30.03 H new ATOM 655 N VAL A 62 -12.980 -6.193 -2.347 1.00 74.31 N ATOM 656 CA VAL A 62 -11.707 -5.718 -2.874 1.00 4.35 C ATOM 657 C VAL A 62 -10.537 -6.452 -2.228 1.00 62.02 C ATOM 658 O VAL A 62 -10.600 -6.835 -1.060 1.00 20.23 O ATOM 659 CB VAL A 62 -11.536 -4.204 -2.647 1.00 41.21 C ATOM 660 CG1 VAL A 62 -11.475 -3.890 -1.160 1.00 40.41 C ATOM 661 CG2 VAL A 62 -10.291 -3.696 -3.359 1.00 72.02 C ATOM 0 H VAL A 62 -13.325 -5.669 -1.543 1.00 74.31 H new ATOM 0 HA VAL A 62 -11.713 -5.920 -3.945 1.00 4.35 H new ATOM 0 HB VAL A 62 -12.402 -3.691 -3.067 1.00 41.21 H new ATOM 0 HG11 VAL A 62 -11.354 -2.816 -1.020 1.00 40.41 H new ATOM 0 HG12 VAL A 62 -12.398 -4.217 -0.681 1.00 40.41 H new ATOM 0 HG13 VAL A 62 -10.629 -4.412 -0.712 1.00 40.41 H new ATOM 0 HG21 VAL A 62 -10.186 -2.625 -3.188 1.00 72.02 H new ATOM 0 HG22 VAL A 62 -9.413 -4.213 -2.971 1.00 72.02 H new ATOM 0 HG23 VAL A 62 -10.381 -3.886 -4.429 1.00 72.02 H new ATOM 671 N ILE A 63 -9.470 -6.644 -2.997 1.00 20.54 N ATOM 672 CA ILE A 63 -8.285 -7.332 -2.499 1.00 43.40 C ATOM 673 C ILE A 63 -7.010 -6.685 -3.031 1.00 14.32 C ATOM 674 O ILE A 63 -7.063 -5.744 -3.822 1.00 73.31 O ATOM 675 CB ILE A 63 -8.292 -8.821 -2.889 1.00 72.44 C ATOM 676 CG1 ILE A 63 -8.375 -8.972 -4.410 1.00 24.32 C ATOM 677 CG2 ILE A 63 -9.453 -9.539 -2.217 1.00 24.43 C ATOM 678 CD1 ILE A 63 -7.720 -10.233 -4.928 1.00 65.32 C ATOM 0 H ILE A 63 -9.402 -6.333 -3.966 1.00 20.54 H new ATOM 0 HA ILE A 63 -8.306 -7.250 -1.412 1.00 43.40 H new ATOM 0 HB ILE A 63 -7.362 -9.275 -2.547 1.00 72.44 H new ATOM 0 HG12 ILE A 63 -9.423 -8.966 -4.711 1.00 24.32 H new ATOM 0 HG13 ILE A 63 -7.904 -8.108 -4.879 1.00 24.32 H new ATOM 0 HG21 ILE A 63 -9.445 -10.591 -2.503 1.00 24.43 H new ATOM 0 HG22 ILE A 63 -9.355 -9.456 -1.135 1.00 24.43 H new ATOM 0 HG23 ILE A 63 -10.393 -9.085 -2.532 1.00 24.43 H new ATOM 0 HD11 ILE A 63 -7.817 -10.274 -6.013 1.00 65.32 H new ATOM 0 HD12 ILE A 63 -6.664 -10.232 -4.658 1.00 65.32 H new ATOM 0 HD13 ILE A 63 -8.206 -11.103 -4.487 1.00 65.32 H new ATOM 690 N ASN A 64 -5.865 -7.197 -2.591 1.00 54.14 N ATOM 691 CA ASN A 64 -4.576 -6.670 -3.024 1.00 52.13 C ATOM 692 C ASN A 64 -3.914 -7.608 -4.029 1.00 33.54 C ATOM 693 O ASN A 64 -3.865 -8.821 -3.822 1.00 63.12 O ATOM 694 CB ASN A 64 -3.656 -6.463 -1.820 1.00 0.24 C ATOM 695 CG ASN A 64 -3.810 -5.085 -1.205 1.00 5.01 C ATOM 696 OD1 ASN A 64 -3.220 -4.113 -1.678 1.00 11.04 O ATOM 697 ND2 ASN A 64 -4.604 -4.995 -0.145 1.00 34.51 N ATOM 0 H ASN A 64 -5.804 -7.976 -1.935 1.00 54.14 H new ATOM 0 HA ASN A 64 -4.749 -5.710 -3.510 1.00 52.13 H new ATOM 0 HB2 ASN A 64 -3.872 -7.220 -1.067 1.00 0.24 H new ATOM 0 HB3 ASN A 64 -2.620 -6.607 -2.128 1.00 0.24 H new ATOM 0 HD21 ASN A 64 -4.745 -4.094 0.311 1.00 34.51 H new ATOM 0 HD22 ASN A 64 -5.073 -5.827 0.213 1.00 34.51 H new ATOM 704 N VAL A 65 -3.406 -7.039 -5.117 1.00 10.22 N ATOM 705 CA VAL A 65 -2.745 -7.823 -6.153 1.00 33.52 C ATOM 706 C VAL A 65 -1.466 -7.143 -6.626 1.00 3.23 C ATOM 707 O VAL A 65 -1.299 -5.929 -6.507 1.00 44.23 O ATOM 708 CB VAL A 65 -3.671 -8.048 -7.363 1.00 33.52 C ATOM 709 CG1 VAL A 65 -4.689 -9.138 -7.061 1.00 53.32 C ATOM 710 CG2 VAL A 65 -4.365 -6.751 -7.751 1.00 32.44 C ATOM 0 H VAL A 65 -3.440 -6.037 -5.304 1.00 10.22 H new ATOM 0 HA VAL A 65 -2.497 -8.787 -5.710 1.00 33.52 H new ATOM 0 HB VAL A 65 -3.064 -8.375 -8.207 1.00 33.52 H new ATOM 0 HG11 VAL A 65 -5.335 -9.283 -7.927 1.00 53.32 H new ATOM 0 HG12 VAL A 65 -4.169 -10.069 -6.836 1.00 53.32 H new ATOM 0 HG13 VAL A 65 -5.294 -8.844 -6.203 1.00 53.32 H new ATOM 0 HG21 VAL A 65 -5.015 -6.928 -8.608 1.00 32.44 H new ATOM 0 HG22 VAL A 65 -4.960 -6.392 -6.912 1.00 32.44 H new ATOM 0 HG23 VAL A 65 -3.617 -6.002 -8.012 1.00 32.44 H new ATOM 720 N PRO A 66 -0.539 -7.942 -7.175 1.00 50.44 N ATOM 721 CA PRO A 66 0.742 -7.438 -7.679 1.00 4.03 C ATOM 722 C PRO A 66 0.579 -6.596 -8.939 1.00 43.33 C ATOM 723 O PRO A 66 0.402 -7.128 -10.035 1.00 73.04 O ATOM 724 CB PRO A 66 1.529 -8.715 -7.986 1.00 40.55 C ATOM 725 CG PRO A 66 0.488 -9.749 -8.240 1.00 73.32 C ATOM 726 CD PRO A 66 -0.671 -9.398 -7.348 1.00 70.05 C ATOM 0 HA PRO A 66 1.232 -6.781 -6.961 1.00 4.03 H new ATOM 0 HB2 PRO A 66 2.176 -8.583 -8.853 1.00 40.55 H new ATOM 0 HB3 PRO A 66 2.170 -8.996 -7.150 1.00 40.55 H new ATOM 0 HG2 PRO A 66 0.187 -9.751 -9.288 1.00 73.32 H new ATOM 0 HG3 PRO A 66 0.866 -10.746 -8.015 1.00 73.32 H new ATOM 0 HD2 PRO A 66 -1.624 -9.664 -7.805 1.00 70.05 H new ATOM 0 HD3 PRO A 66 -0.617 -9.923 -6.394 1.00 70.05 H new ATOM 734 N CYS A 67 0.641 -5.278 -8.777 1.00 62.32 N ATOM 735 CA CYS A 67 0.501 -4.361 -9.902 1.00 34.41 C ATOM 736 C CYS A 67 1.535 -4.663 -10.982 1.00 70.34 C ATOM 737 O CYS A 67 2.631 -4.103 -10.979 1.00 63.23 O ATOM 738 CB CYS A 67 0.649 -2.914 -9.429 1.00 32.13 C ATOM 739 SG CYS A 67 -0.241 -1.701 -10.456 1.00 70.11 S ATOM 0 H CYS A 67 0.787 -4.821 -7.877 1.00 62.32 H new ATOM 0 HA CYS A 67 -0.493 -4.497 -10.328 1.00 34.41 H new ATOM 0 HB2 CYS A 67 0.288 -2.840 -8.403 1.00 32.13 H new ATOM 0 HB3 CYS A 67 1.708 -2.654 -9.414 1.00 32.13 H new TER 744 CYS A 67