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 -164:sc= -0.0137 (180deg=-0.282) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0425 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.3!) USER MOD Single : A 30 THR OG1 : rot -110:sc= -0.283 USER MOD Single : A 36 GLN : amide:sc= 0.0963 K(o=0.096,f=-1.2) USER MOD Single : A 40 THR OG1 : rot 50:sc= -1.3 USER MOD Single : A 41 THR OG1 : rot 122:sc= 0.668 USER MOD Single : A 46 GLN : amide:sc= -0.957 K(o=-0.96,f=-3.3!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 2.07 K(o=2.1,f=-6.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 61 GLN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 19 5.312 -0.348 -4.368 1.00 61.30 N ATOM 2 CA MET A 19 4.166 0.223 -5.065 1.00 52.22 C ATOM 3 C MET A 19 3.195 -0.869 -5.501 1.00 74.41 C ATOM 4 O MET A 19 3.242 -1.338 -6.637 1.00 63.35 O ATOM 5 CB MET A 19 4.630 1.025 -6.283 1.00 30.32 C ATOM 6 CG MET A 19 3.600 2.026 -6.780 1.00 30.10 C ATOM 7 SD MET A 19 4.276 3.172 -7.996 1.00 44.42 S ATOM 8 CE MET A 19 5.292 4.214 -6.951 1.00 52.24 C ATOM 0 HA MET A 19 3.649 0.890 -4.375 1.00 52.22 H new ATOM 0 HB2 MET A 19 5.548 1.556 -6.030 1.00 30.32 H new ATOM 0 HB3 MET A 19 4.873 0.335 -7.091 1.00 30.32 H new ATOM 0 HG2 MET A 19 2.760 1.489 -7.220 1.00 30.10 H new ATOM 0 HG3 MET A 19 3.209 2.590 -5.933 1.00 30.10 H new ATOM 0 HE1 MET A 19 5.548 5.128 -7.487 1.00 52.24 H new ATOM 0 HE2 MET A 19 4.742 4.467 -6.044 1.00 52.24 H new ATOM 0 HE3 MET A 19 6.205 3.682 -6.685 1.00 52.24 H new ATOM 18 N GLY A 20 2.314 -1.271 -4.589 1.00 51.24 N ATOM 19 CA GLY A 20 1.345 -2.305 -4.899 1.00 73.43 C ATOM 20 C GLY A 20 0.025 -1.738 -5.383 1.00 10.43 C ATOM 21 O GLY A 20 -0.189 -0.525 -5.346 1.00 21.55 O ATOM 0 H GLY A 20 2.255 -0.899 -3.641 1.00 51.24 H new ATOM 0 HA2 GLY A 20 1.755 -2.965 -5.663 1.00 73.43 H new ATOM 0 HA3 GLY A 20 1.172 -2.914 -4.012 1.00 73.43 H new ATOM 25 N CYS A 21 -0.863 -2.614 -5.840 1.00 23.54 N ATOM 26 CA CYS A 21 -2.168 -2.195 -6.335 1.00 40.40 C ATOM 27 C CYS A 21 -3.280 -3.043 -5.725 1.00 10.23 C ATOM 28 O CYS A 21 -3.023 -4.088 -5.127 1.00 64.41 O ATOM 29 CB CYS A 21 -2.214 -2.295 -7.861 1.00 0.10 C ATOM 30 SG CYS A 21 -1.523 -0.846 -8.723 1.00 31.24 S ATOM 0 H CYS A 21 -0.702 -3.620 -5.878 1.00 23.54 H new ATOM 0 HA CYS A 21 -2.324 -1.157 -6.040 1.00 40.40 H new ATOM 0 HB2 CYS A 21 -1.667 -3.185 -8.173 1.00 0.10 H new ATOM 0 HB3 CYS A 21 -3.249 -2.431 -8.174 1.00 0.10 H new ATOM 35 N THR A 22 -4.519 -2.585 -5.880 1.00 23.24 N ATOM 36 CA THR A 22 -5.670 -3.300 -5.344 1.00 31.11 C ATOM 37 C THR A 22 -6.631 -3.707 -6.456 1.00 3.25 C ATOM 38 O THR A 22 -6.794 -2.988 -7.442 1.00 64.41 O ATOM 39 CB THR A 22 -6.430 -2.447 -4.311 1.00 32.02 C ATOM 40 OG1 THR A 22 -6.957 -1.272 -4.938 1.00 31.41 O ATOM 41 CG2 THR A 22 -5.517 -2.048 -3.162 1.00 21.15 C ATOM 0 H THR A 22 -4.750 -1.722 -6.372 1.00 23.24 H new ATOM 0 HA THR A 22 -5.286 -4.195 -4.854 1.00 31.11 H new ATOM 0 HB THR A 22 -7.250 -3.044 -3.912 1.00 32.02 H new ATOM 0 HG1 THR A 22 -7.440 -0.736 -4.275 1.00 31.41 H new ATOM 0 HG21 THR A 22 -6.076 -1.446 -2.445 1.00 21.15 H new ATOM 0 HG22 THR A 22 -5.141 -2.944 -2.668 1.00 21.15 H new ATOM 0 HG23 THR A 22 -4.679 -1.467 -3.548 1.00 21.15 H new ATOM 49 N TYR A 23 -7.265 -4.862 -6.289 1.00 60.05 N ATOM 50 CA TYR A 23 -8.209 -5.365 -7.280 1.00 62.05 C ATOM 51 C TYR A 23 -9.593 -5.554 -6.668 1.00 12.33 C ATOM 52 O TYR A 23 -9.725 -5.876 -5.486 1.00 44.33 O ATOM 53 CB TYR A 23 -7.712 -6.689 -7.863 1.00 22.33 C ATOM 54 CG TYR A 23 -8.725 -7.380 -8.747 1.00 33.43 C ATOM 55 CD1 TYR A 23 -9.637 -8.285 -8.216 1.00 11.32 C ATOM 56 CD2 TYR A 23 -8.771 -7.130 -10.113 1.00 23.25 C ATOM 57 CE1 TYR A 23 -10.564 -8.919 -9.019 1.00 75.15 C ATOM 58 CE2 TYR A 23 -9.695 -7.759 -10.924 1.00 15.24 C ATOM 59 CZ TYR A 23 -10.590 -8.653 -10.373 1.00 10.55 C ATOM 60 OH TYR A 23 -11.512 -9.282 -11.177 1.00 41.13 O ATOM 0 H TYR A 23 -7.143 -5.467 -5.477 1.00 60.05 H new ATOM 0 HA TYR A 23 -8.283 -4.628 -8.080 1.00 62.05 H new ATOM 0 HB2 TYR A 23 -6.805 -6.505 -8.439 1.00 22.33 H new ATOM 0 HB3 TYR A 23 -7.440 -7.357 -7.046 1.00 22.33 H new ATOM 0 HD1 TYR A 23 -9.620 -8.496 -7.157 1.00 11.32 H new ATOM 0 HD2 TYR A 23 -8.072 -6.431 -10.548 1.00 23.25 H new ATOM 0 HE1 TYR A 23 -11.265 -9.619 -8.590 1.00 75.15 H new ATOM 0 HE2 TYR A 23 -9.717 -7.552 -11.984 1.00 15.24 H new ATOM 0 HH TYR A 23 -11.397 -8.983 -12.103 1.00 41.13 H new ATOM 70 N THR A 24 -10.626 -5.351 -7.481 1.00 24.34 N ATOM 71 CA THR A 24 -12.001 -5.498 -7.021 1.00 3.03 C ATOM 72 C THR A 24 -12.599 -6.819 -7.489 1.00 72.41 C ATOM 73 O THR A 24 -12.764 -7.046 -8.688 1.00 74.11 O ATOM 74 CB THR A 24 -12.886 -4.341 -7.520 1.00 15.23 C ATOM 75 OG1 THR A 24 -12.188 -3.098 -7.388 1.00 52.44 O ATOM 76 CG2 THR A 24 -14.190 -4.281 -6.738 1.00 30.12 C ATOM 0 H THR A 24 -10.536 -5.084 -8.461 1.00 24.34 H new ATOM 0 HA THR A 24 -11.974 -5.481 -5.931 1.00 3.03 H new ATOM 0 HB THR A 24 -13.118 -4.517 -8.570 1.00 15.23 H new ATOM 0 HG1 THR A 24 -12.757 -2.368 -7.709 1.00 52.44 H new ATOM 0 HG21 THR A 24 -14.799 -3.456 -7.108 1.00 30.12 H new ATOM 0 HG22 THR A 24 -14.733 -5.218 -6.864 1.00 30.12 H new ATOM 0 HG23 THR A 24 -13.974 -4.126 -5.681 1.00 30.12 H new ATOM 84 N ILE A 25 -12.923 -7.688 -6.537 1.00 3.43 N ATOM 85 CA ILE A 25 -13.505 -8.986 -6.853 1.00 42.01 C ATOM 86 C ILE A 25 -15.017 -8.884 -7.020 1.00 70.35 C ATOM 87 O ILE A 25 -15.747 -8.695 -6.048 1.00 31.20 O ATOM 88 CB ILE A 25 -13.189 -10.025 -5.761 1.00 71.54 C ATOM 89 CG1 ILE A 25 -11.695 -10.013 -5.431 1.00 52.31 C ATOM 90 CG2 ILE A 25 -13.627 -11.412 -6.208 1.00 65.43 C ATOM 91 CD1 ILE A 25 -11.317 -10.952 -4.307 1.00 62.04 C ATOM 0 H ILE A 25 -12.792 -7.516 -5.540 1.00 3.43 H new ATOM 0 HA ILE A 25 -13.059 -9.312 -7.793 1.00 42.01 H new ATOM 0 HB ILE A 25 -13.743 -9.763 -4.859 1.00 71.54 H new ATOM 0 HG12 ILE A 25 -11.132 -10.283 -6.324 1.00 52.31 H new ATOM 0 HG13 ILE A 25 -11.399 -8.999 -5.162 1.00 52.31 H new ATOM 0 HG21 ILE A 25 -13.397 -12.136 -5.426 1.00 65.43 H new ATOM 0 HG22 ILE A 25 -14.700 -11.411 -6.398 1.00 65.43 H new ATOM 0 HG23 ILE A 25 -13.098 -11.684 -7.121 1.00 65.43 H new ATOM 0 HD11 ILE A 25 -10.244 -10.891 -4.128 1.00 62.04 H new ATOM 0 HD12 ILE A 25 -11.853 -10.669 -3.401 1.00 62.04 H new ATOM 0 HD13 ILE A 25 -11.582 -11.973 -4.581 1.00 62.04 H new ATOM 103 N GLN A 26 -15.480 -9.013 -8.260 1.00 23.02 N ATOM 104 CA GLN A 26 -16.906 -8.937 -8.554 1.00 43.31 C ATOM 105 C GLN A 26 -17.452 -10.302 -8.959 1.00 2.11 C ATOM 106 O GLN A 26 -16.707 -11.215 -9.316 1.00 42.31 O ATOM 107 CB GLN A 26 -17.165 -7.920 -9.667 1.00 65.24 C ATOM 108 CG GLN A 26 -17.381 -6.504 -9.160 1.00 14.23 C ATOM 109 CD GLN A 26 -18.219 -5.666 -10.106 1.00 30.51 C ATOM 110 OE1 GLN A 26 -18.882 -6.194 -11.000 1.00 25.44 O ATOM 111 NE2 GLN A 26 -18.194 -4.353 -9.914 1.00 52.32 N ATOM 0 H GLN A 26 -14.889 -9.170 -9.076 1.00 23.02 H new ATOM 0 HA GLN A 26 -17.421 -8.614 -7.649 1.00 43.31 H new ATOM 0 HB2 GLN A 26 -16.320 -7.925 -10.356 1.00 65.24 H new ATOM 0 HB3 GLN A 26 -18.042 -8.231 -10.235 1.00 65.24 H new ATOM 0 HG2 GLN A 26 -17.868 -6.542 -8.186 1.00 14.23 H new ATOM 0 HG3 GLN A 26 -16.414 -6.023 -9.014 1.00 14.23 H new ATOM 0 HE21 GLN A 26 -17.631 -3.958 -9.161 1.00 52.32 H new ATOM 0 HE22 GLN A 26 -18.738 -3.739 -10.520 1.00 52.32 H new ATOM 120 N PRO A 27 -18.784 -10.447 -8.902 1.00 70.42 N ATOM 121 CA PRO A 27 -19.460 -11.698 -9.260 1.00 24.34 C ATOM 122 C PRO A 27 -18.970 -12.262 -10.589 1.00 21.41 C ATOM 123 O PRO A 27 -19.374 -11.803 -11.656 1.00 40.31 O ATOM 124 CB PRO A 27 -20.931 -11.290 -9.362 1.00 13.03 C ATOM 125 CG PRO A 27 -21.057 -10.100 -8.474 1.00 43.03 C ATOM 126 CD PRO A 27 -19.733 -9.402 -8.486 1.00 14.35 C ATOM 0 HA PRO A 27 -19.272 -12.486 -8.531 1.00 24.34 H new ATOM 0 HB2 PRO A 27 -21.204 -11.048 -10.389 1.00 13.03 H new ATOM 0 HB3 PRO A 27 -21.589 -12.097 -9.039 1.00 13.03 H new ATOM 0 HG2 PRO A 27 -21.846 -9.436 -8.828 1.00 43.03 H new ATOM 0 HG3 PRO A 27 -21.325 -10.401 -7.461 1.00 43.03 H new ATOM 0 HD2 PRO A 27 -19.731 -8.562 -9.180 1.00 14.35 H new ATOM 0 HD3 PRO A 27 -19.483 -9.004 -7.503 1.00 14.35 H new ATOM 134 N GLY A 28 -18.097 -13.263 -10.517 1.00 4.44 N ATOM 135 CA GLY A 28 -17.567 -13.873 -11.722 1.00 25.13 C ATOM 136 C GLY A 28 -16.055 -13.987 -11.698 1.00 12.15 C ATOM 137 O GLY A 28 -15.474 -14.780 -12.438 1.00 43.45 O ATOM 0 H GLY A 28 -17.748 -13.662 -9.646 1.00 4.44 H new ATOM 0 HA2 GLY A 28 -18.001 -14.865 -11.844 1.00 25.13 H new ATOM 0 HA3 GLY A 28 -17.870 -13.284 -12.587 1.00 25.13 H new ATOM 141 N ASP A 29 -15.417 -13.192 -10.845 1.00 74.14 N ATOM 142 CA ASP A 29 -13.964 -13.206 -10.728 1.00 62.41 C ATOM 143 C ASP A 29 -13.520 -14.111 -9.583 1.00 70.51 C ATOM 144 O ASP A 29 -13.943 -13.938 -8.439 1.00 43.45 O ATOM 145 CB ASP A 29 -13.435 -11.788 -10.508 1.00 64.43 C ATOM 146 CG ASP A 29 -14.161 -10.762 -11.355 1.00 0.42 C ATOM 147 OD1 ASP A 29 -14.196 -10.929 -12.592 1.00 64.50 O ATOM 148 OD2 ASP A 29 -14.696 -9.791 -10.780 1.00 4.40 O ATOM 0 H ASP A 29 -15.884 -12.530 -10.225 1.00 74.14 H new ATOM 0 HA ASP A 29 -13.553 -13.598 -11.658 1.00 62.41 H new ATOM 0 HB2 ASP A 29 -13.538 -11.524 -9.455 1.00 64.43 H new ATOM 0 HB3 ASP A 29 -12.371 -11.760 -10.741 1.00 64.43 H new ATOM 153 N THR A 30 -12.665 -15.080 -9.898 1.00 74.00 N ATOM 154 CA THR A 30 -12.166 -16.014 -8.897 1.00 20.01 C ATOM 155 C THR A 30 -10.683 -15.788 -8.625 1.00 13.51 C ATOM 156 O THR A 30 -9.975 -15.200 -9.442 1.00 44.14 O ATOM 157 CB THR A 30 -12.378 -17.475 -9.336 1.00 74.02 C ATOM 158 OG1 THR A 30 -11.581 -17.760 -10.491 1.00 31.20 O ATOM 159 CG2 THR A 30 -13.844 -17.739 -9.648 1.00 2.14 C ATOM 0 H THR A 30 -12.304 -15.238 -10.839 1.00 74.00 H new ATOM 0 HA THR A 30 -12.733 -15.831 -7.984 1.00 20.01 H new ATOM 0 HB THR A 30 -12.074 -18.125 -8.516 1.00 74.02 H new ATOM 0 HG1 THR A 30 -12.164 -17.874 -11.271 1.00 31.20 H new ATOM 0 HG21 THR A 30 -13.969 -18.777 -9.956 1.00 2.14 H new ATOM 0 HG22 THR A 30 -14.445 -17.549 -8.759 1.00 2.14 H new ATOM 0 HG23 THR A 30 -14.169 -17.080 -10.453 1.00 2.14 H new ATOM 167 N PHE A 31 -10.219 -16.258 -7.472 1.00 14.22 N ATOM 168 CA PHE A 31 -8.820 -16.106 -7.092 1.00 23.10 C ATOM 169 C PHE A 31 -7.898 -16.608 -8.200 1.00 30.24 C ATOM 170 O PHE A 31 -7.105 -15.847 -8.754 1.00 71.21 O ATOM 171 CB PHE A 31 -8.536 -16.865 -5.794 1.00 73.20 C ATOM 172 CG PHE A 31 -8.793 -16.054 -4.557 1.00 15.24 C ATOM 173 CD1 PHE A 31 -9.986 -15.365 -4.399 1.00 24.52 C ATOM 174 CD2 PHE A 31 -7.843 -15.979 -3.551 1.00 42.23 C ATOM 175 CE1 PHE A 31 -10.226 -14.618 -3.261 1.00 64.11 C ATOM 176 CE2 PHE A 31 -8.077 -15.233 -2.411 1.00 74.44 C ATOM 177 CZ PHE A 31 -9.270 -14.551 -2.267 1.00 23.34 C ATOM 0 H PHE A 31 -10.792 -16.747 -6.784 1.00 14.22 H new ATOM 0 HA PHE A 31 -8.626 -15.045 -6.934 1.00 23.10 H new ATOM 0 HB2 PHE A 31 -9.153 -17.763 -5.765 1.00 73.20 H new ATOM 0 HB3 PHE A 31 -7.497 -17.193 -5.794 1.00 73.20 H new ATOM 0 HD1 PHE A 31 -10.736 -15.413 -5.174 1.00 24.52 H new ATOM 0 HD2 PHE A 31 -6.909 -16.510 -3.659 1.00 42.23 H new ATOM 0 HE1 PHE A 31 -11.160 -14.087 -3.149 1.00 64.11 H new ATOM 0 HE2 PHE A 31 -7.328 -15.183 -1.634 1.00 74.44 H new ATOM 0 HZ PHE A 31 -9.455 -13.966 -1.378 1.00 23.34 H new ATOM 187 N TRP A 32 -8.009 -17.893 -8.515 1.00 64.33 N ATOM 188 CA TRP A 32 -7.185 -18.498 -9.556 1.00 60.02 C ATOM 189 C TRP A 32 -7.268 -17.696 -10.850 1.00 64.03 C ATOM 190 O TRP A 32 -6.269 -17.524 -11.549 1.00 55.31 O ATOM 191 CB TRP A 32 -7.623 -19.942 -9.808 1.00 12.34 C ATOM 192 CG TRP A 32 -6.940 -20.574 -10.982 1.00 52.25 C ATOM 193 CD1 TRP A 32 -5.608 -20.847 -11.107 1.00 1.33 C ATOM 194 CD2 TRP A 32 -7.556 -21.010 -12.199 1.00 52.42 C ATOM 195 NE1 TRP A 32 -5.358 -21.426 -12.327 1.00 75.15 N ATOM 196 CE2 TRP A 32 -6.537 -21.538 -13.016 1.00 53.21 C ATOM 197 CE3 TRP A 32 -8.869 -21.007 -12.677 1.00 73.24 C ATOM 198 CZ2 TRP A 32 -6.793 -22.056 -14.283 1.00 2.21 C ATOM 199 CZ3 TRP A 32 -9.121 -21.521 -13.935 1.00 71.40 C ATOM 200 CH2 TRP A 32 -8.087 -22.041 -14.726 1.00 14.41 C ATOM 0 H TRP A 32 -8.661 -18.536 -8.065 1.00 64.33 H new ATOM 0 HA TRP A 32 -6.150 -18.494 -9.213 1.00 60.02 H new ATOM 0 HB2 TRP A 32 -7.421 -20.536 -8.917 1.00 12.34 H new ATOM 0 HB3 TRP A 32 -8.701 -19.964 -9.969 1.00 12.34 H new ATOM 0 HD1 TRP A 32 -4.860 -20.638 -10.356 1.00 1.33 H new ATOM 0 HE1 TRP A 32 -4.443 -21.724 -12.665 1.00 75.15 H new ATOM 0 HE3 TRP A 32 -9.673 -20.610 -12.074 1.00 73.24 H new ATOM 0 HZ2 TRP A 32 -5.998 -22.456 -14.895 1.00 2.21 H new ATOM 0 HZ3 TRP A 32 -10.132 -21.522 -14.315 1.00 71.40 H new ATOM 0 HH2 TRP A 32 -8.317 -22.437 -15.704 1.00 14.41 H new ATOM 211 N ALA A 33 -8.463 -17.208 -11.163 1.00 53.35 N ATOM 212 CA ALA A 33 -8.675 -16.422 -12.373 1.00 3.22 C ATOM 213 C ALA A 33 -7.861 -15.133 -12.339 1.00 1.40 C ATOM 214 O ALA A 33 -7.259 -14.741 -13.339 1.00 70.34 O ATOM 215 CB ALA A 33 -10.154 -16.110 -12.548 1.00 24.30 C ATOM 0 H ALA A 33 -9.300 -17.343 -10.596 1.00 53.35 H new ATOM 0 HA ALA A 33 -8.337 -17.013 -13.224 1.00 3.22 H new ATOM 0 HB1 ALA A 33 -10.297 -15.523 -13.455 1.00 24.30 H new ATOM 0 HB2 ALA A 33 -10.716 -17.041 -12.626 1.00 24.30 H new ATOM 0 HB3 ALA A 33 -10.510 -15.542 -11.688 1.00 24.30 H new ATOM 221 N ILE A 34 -7.848 -14.477 -11.183 1.00 43.04 N ATOM 222 CA ILE A 34 -7.107 -13.232 -11.020 1.00 73.14 C ATOM 223 C ILE A 34 -5.604 -13.486 -10.993 1.00 21.22 C ATOM 224 O ILE A 34 -4.811 -12.623 -11.368 1.00 53.03 O ATOM 225 CB ILE A 34 -7.516 -12.499 -9.729 1.00 54.44 C ATOM 226 CG1 ILE A 34 -9.016 -12.197 -9.742 1.00 13.50 C ATOM 227 CG2 ILE A 34 -6.714 -11.216 -9.572 1.00 5.01 C ATOM 228 CD1 ILE A 34 -9.583 -11.895 -8.372 1.00 75.54 C ATOM 0 H ILE A 34 -8.342 -14.787 -10.346 1.00 43.04 H new ATOM 0 HA ILE A 34 -7.351 -12.605 -11.877 1.00 73.14 H new ATOM 0 HB ILE A 34 -7.301 -13.145 -8.878 1.00 54.44 H new ATOM 0 HG12 ILE A 34 -9.202 -11.347 -10.399 1.00 13.50 H new ATOM 0 HG13 ILE A 34 -9.547 -13.049 -10.166 1.00 13.50 H new ATOM 0 HG21 ILE A 34 -7.014 -10.709 -8.655 1.00 5.01 H new ATOM 0 HG22 ILE A 34 -5.652 -11.455 -9.523 1.00 5.01 H new ATOM 0 HG23 ILE A 34 -6.901 -10.564 -10.425 1.00 5.01 H new ATOM 0 HD11 ILE A 34 -10.650 -11.690 -8.457 1.00 75.54 H new ATOM 0 HD12 ILE A 34 -9.429 -12.753 -7.717 1.00 75.54 H new ATOM 0 HD13 ILE A 34 -9.079 -11.024 -7.953 1.00 75.54 H new ATOM 240 N ALA A 35 -5.219 -14.677 -10.547 1.00 62.51 N ATOM 241 CA ALA A 35 -3.811 -15.047 -10.474 1.00 62.22 C ATOM 242 C ALA A 35 -3.229 -15.271 -11.866 1.00 51.40 C ATOM 243 O ALA A 35 -2.262 -14.617 -12.256 1.00 21.21 O ATOM 244 CB ALA A 35 -3.636 -16.295 -9.621 1.00 12.44 C ATOM 0 H ALA A 35 -5.863 -15.402 -10.231 1.00 62.51 H new ATOM 0 HA ALA A 35 -3.269 -14.223 -10.010 1.00 62.22 H new ATOM 0 HB1 ALA A 35 -2.580 -16.559 -9.576 1.00 12.44 H new ATOM 0 HB2 ALA A 35 -4.005 -16.102 -8.614 1.00 12.44 H new ATOM 0 HB3 ALA A 35 -4.198 -17.119 -10.062 1.00 12.44 H new ATOM 250 N GLN A 36 -3.825 -16.198 -12.609 1.00 44.44 N ATOM 251 CA GLN A 36 -3.363 -16.507 -13.958 1.00 34.35 C ATOM 252 C GLN A 36 -3.390 -15.264 -14.841 1.00 20.31 C ATOM 253 O GLN A 36 -2.640 -15.165 -15.812 1.00 74.35 O ATOM 254 CB GLN A 36 -4.230 -17.606 -14.576 1.00 41.40 C ATOM 255 CG GLN A 36 -5.703 -17.241 -14.663 1.00 73.51 C ATOM 256 CD GLN A 36 -6.070 -16.606 -15.990 1.00 30.23 C ATOM 257 OE1 GLN A 36 -5.620 -17.047 -17.048 1.00 33.22 O ATOM 258 NE2 GLN A 36 -6.891 -15.564 -15.940 1.00 54.13 N ATOM 0 H GLN A 36 -4.627 -16.747 -12.301 1.00 44.44 H new ATOM 0 HA GLN A 36 -2.334 -16.860 -13.891 1.00 34.35 H new ATOM 0 HB2 GLN A 36 -3.860 -17.830 -15.576 1.00 41.40 H new ATOM 0 HB3 GLN A 36 -4.124 -18.516 -13.986 1.00 41.40 H new ATOM 0 HG2 GLN A 36 -6.305 -18.138 -14.515 1.00 73.51 H new ATOM 0 HG3 GLN A 36 -5.951 -16.553 -13.855 1.00 73.51 H new ATOM 0 HE21 GLN A 36 -7.240 -15.232 -15.041 1.00 54.13 H new ATOM 0 HE22 GLN A 36 -7.173 -15.095 -16.801 1.00 54.13 H new ATOM 267 N ARG A 37 -4.258 -14.319 -14.497 1.00 51.42 N ATOM 268 CA ARG A 37 -4.383 -13.083 -15.260 1.00 53.41 C ATOM 269 C ARG A 37 -3.317 -12.075 -14.842 1.00 3.15 C ATOM 270 O ARG A 37 -2.513 -11.630 -15.661 1.00 60.22 O ATOM 271 CB ARG A 37 -5.775 -12.478 -15.067 1.00 52.21 C ATOM 272 CG ARG A 37 -6.025 -11.242 -15.916 1.00 75.32 C ATOM 273 CD ARG A 37 -7.479 -10.801 -15.842 1.00 42.35 C ATOM 274 NE ARG A 37 -7.740 -9.635 -16.682 1.00 42.32 N ATOM 275 CZ ARG A 37 -8.951 -9.291 -17.107 1.00 3.04 C ATOM 276 NH1 ARG A 37 -10.006 -10.020 -16.771 1.00 11.00 N ATOM 277 NH2 ARG A 37 -9.108 -8.216 -17.868 1.00 2.41 N ATOM 0 H ARG A 37 -4.885 -14.385 -13.695 1.00 51.42 H new ATOM 0 HA ARG A 37 -4.240 -13.321 -16.314 1.00 53.41 H new ATOM 0 HB2 ARG A 37 -6.526 -13.231 -15.307 1.00 52.21 H new ATOM 0 HB3 ARG A 37 -5.907 -12.220 -14.016 1.00 52.21 H new ATOM 0 HG2 ARG A 37 -5.380 -10.431 -15.579 1.00 75.32 H new ATOM 0 HG3 ARG A 37 -5.759 -11.451 -16.952 1.00 75.32 H new ATOM 0 HD2 ARG A 37 -8.124 -11.623 -16.153 1.00 42.35 H new ATOM 0 HD3 ARG A 37 -7.735 -10.568 -14.808 1.00 42.35 H new ATOM 0 HE ARG A 37 -6.949 -9.053 -16.958 1.00 42.32 H new ATOM 0 HH11 ARG A 37 -9.889 -10.847 -16.185 1.00 11.00 H new ATOM 0 HH12 ARG A 37 -10.935 -9.754 -17.098 1.00 11.00 H new ATOM 0 HH21 ARG A 37 -8.299 -7.652 -18.128 1.00 2.41 H new ATOM 0 HH22 ARG A 37 -10.038 -7.953 -18.194 1.00 2.41 H new ATOM 291 N ARG A 38 -3.316 -11.719 -13.561 1.00 53.11 N ATOM 292 CA ARG A 38 -2.350 -10.763 -13.034 1.00 51.32 C ATOM 293 C ARG A 38 -0.922 -11.227 -13.305 1.00 32.40 C ATOM 294 O ARG A 38 -0.020 -10.414 -13.499 1.00 0.20 O ATOM 295 CB ARG A 38 -2.559 -10.570 -11.531 1.00 22.31 C ATOM 296 CG ARG A 38 -3.864 -9.874 -11.181 1.00 42.14 C ATOM 297 CD ARG A 38 -3.829 -8.402 -11.563 1.00 34.21 C ATOM 298 NE ARG A 38 -3.203 -7.583 -10.529 1.00 34.14 N ATOM 299 CZ ARG A 38 -3.157 -6.256 -10.570 1.00 64.21 C ATOM 300 NH1 ARG A 38 -3.697 -5.602 -11.589 1.00 64.01 N ATOM 301 NH2 ARG A 38 -2.569 -5.581 -9.591 1.00 12.25 N ATOM 0 H ARG A 38 -3.974 -12.079 -12.869 1.00 53.11 H new ATOM 0 HA ARG A 38 -2.506 -9.811 -13.541 1.00 51.32 H new ATOM 0 HB2 ARG A 38 -2.534 -11.544 -11.042 1.00 22.31 H new ATOM 0 HB3 ARG A 38 -1.729 -9.990 -11.129 1.00 22.31 H new ATOM 0 HG2 ARG A 38 -4.689 -10.365 -11.696 1.00 42.14 H new ATOM 0 HG3 ARG A 38 -4.053 -9.969 -10.112 1.00 42.14 H new ATOM 0 HD2 ARG A 38 -3.283 -8.283 -12.499 1.00 34.21 H new ATOM 0 HD3 ARG A 38 -4.845 -8.049 -11.739 1.00 34.21 H new ATOM 0 HE ARG A 38 -2.778 -8.056 -9.731 1.00 34.14 H new ATOM 0 HH11 ARG A 38 -4.149 -6.118 -12.344 1.00 64.01 H new ATOM 0 HH12 ARG A 38 -3.660 -4.583 -11.618 1.00 64.01 H new ATOM 0 HH21 ARG A 38 -2.152 -6.081 -8.806 1.00 12.25 H new ATOM 0 HH22 ARG A 38 -2.534 -4.562 -9.623 1.00 12.25 H new ATOM 315 N GLY A 39 -0.725 -12.542 -13.316 1.00 30.41 N ATOM 316 CA GLY A 39 0.595 -13.093 -13.563 1.00 11.51 C ATOM 317 C GLY A 39 1.174 -13.780 -12.343 1.00 22.15 C ATOM 318 O GLY A 39 2.386 -13.982 -12.250 1.00 15.22 O ATOM 0 H GLY A 39 -1.456 -13.236 -13.158 1.00 30.41 H new ATOM 0 HA2 GLY A 39 0.540 -13.806 -14.386 1.00 11.51 H new ATOM 0 HA3 GLY A 39 1.266 -12.294 -13.879 1.00 11.51 H new ATOM 322 N THR A 40 0.307 -14.141 -11.401 1.00 5.40 N ATOM 323 CA THR A 40 0.740 -14.807 -10.179 1.00 13.31 C ATOM 324 C THR A 40 -0.090 -16.057 -9.911 1.00 60.23 C ATOM 325 O THR A 40 -0.952 -16.426 -10.709 1.00 53.05 O ATOM 326 CB THR A 40 0.640 -13.868 -8.962 1.00 13.22 C ATOM 327 OG1 THR A 40 1.351 -14.427 -7.852 1.00 32.11 O ATOM 328 CG2 THR A 40 -0.813 -13.636 -8.575 1.00 72.30 C ATOM 0 H THR A 40 -0.699 -13.983 -11.462 1.00 5.40 H new ATOM 0 HA THR A 40 1.782 -15.090 -10.326 1.00 13.31 H new ATOM 0 HB THR A 40 1.085 -12.910 -9.233 1.00 13.22 H new ATOM 0 HG1 THR A 40 2.250 -14.693 -8.139 1.00 32.11 H new ATOM 0 HG21 THR A 40 -0.858 -12.970 -7.713 1.00 72.30 H new ATOM 0 HG22 THR A 40 -1.345 -13.183 -9.412 1.00 72.30 H new ATOM 0 HG23 THR A 40 -1.279 -14.589 -8.322 1.00 72.30 H new ATOM 336 N THR A 41 0.175 -16.707 -8.782 1.00 72.22 N ATOM 337 CA THR A 41 -0.547 -17.917 -8.409 1.00 72.15 C ATOM 338 C THR A 41 -1.410 -17.684 -7.175 1.00 14.11 C ATOM 339 O THR A 41 -1.294 -16.655 -6.509 1.00 21.12 O ATOM 340 CB THR A 41 0.418 -19.085 -8.134 1.00 24.14 C ATOM 341 OG1 THR A 41 1.133 -18.853 -6.915 1.00 11.54 O ATOM 342 CG2 THR A 41 1.403 -19.255 -9.280 1.00 65.22 C ATOM 0 H THR A 41 0.885 -16.415 -8.110 1.00 72.22 H new ATOM 0 HA THR A 41 -1.187 -18.176 -9.253 1.00 72.15 H new ATOM 0 HB THR A 41 -0.170 -19.998 -8.042 1.00 24.14 H new ATOM 0 HG1 THR A 41 0.971 -19.594 -6.294 1.00 11.54 H new ATOM 0 HG21 THR A 41 2.074 -20.086 -9.063 1.00 65.22 H new ATOM 0 HG22 THR A 41 0.858 -19.460 -10.201 1.00 65.22 H new ATOM 0 HG23 THR A 41 1.984 -18.341 -9.399 1.00 65.22 H new ATOM 350 N VAL A 42 -2.277 -18.646 -6.874 1.00 1.01 N ATOM 351 CA VAL A 42 -3.159 -18.546 -5.717 1.00 50.13 C ATOM 352 C VAL A 42 -2.365 -18.293 -4.441 1.00 20.33 C ATOM 353 O VAL A 42 -2.816 -17.575 -3.548 1.00 75.24 O ATOM 354 CB VAL A 42 -4.000 -19.824 -5.541 1.00 55.01 C ATOM 355 CG1 VAL A 42 -4.892 -19.711 -4.314 1.00 31.41 C ATOM 356 CG2 VAL A 42 -4.828 -20.093 -6.789 1.00 12.32 C ATOM 0 H VAL A 42 -2.387 -19.503 -7.415 1.00 1.01 H new ATOM 0 HA VAL A 42 -3.826 -17.703 -5.899 1.00 50.13 H new ATOM 0 HB VAL A 42 -3.324 -20.666 -5.393 1.00 55.01 H new ATOM 0 HG11 VAL A 42 -5.479 -20.623 -4.206 1.00 31.41 H new ATOM 0 HG12 VAL A 42 -4.274 -19.569 -3.427 1.00 31.41 H new ATOM 0 HG13 VAL A 42 -5.563 -18.860 -4.429 1.00 31.41 H new ATOM 0 HG21 VAL A 42 -5.416 -21.000 -6.647 1.00 12.32 H new ATOM 0 HG22 VAL A 42 -5.497 -19.252 -6.970 1.00 12.32 H new ATOM 0 HG23 VAL A 42 -4.165 -20.221 -7.645 1.00 12.32 H new ATOM 366 N ASP A 43 -1.180 -18.888 -4.361 1.00 3.24 N ATOM 367 CA ASP A 43 -0.321 -18.726 -3.193 1.00 64.23 C ATOM 368 C ASP A 43 -0.130 -17.250 -2.859 1.00 33.02 C ATOM 369 O ASP A 43 -0.196 -16.853 -1.695 1.00 42.24 O ATOM 370 CB ASP A 43 1.038 -19.386 -3.438 1.00 15.32 C ATOM 371 CG ASP A 43 0.909 -20.832 -3.872 1.00 73.44 C ATOM 372 OD1 ASP A 43 0.647 -21.071 -5.070 1.00 73.41 O ATOM 373 OD2 ASP A 43 1.071 -21.726 -3.015 1.00 51.42 O ATOM 0 H ASP A 43 -0.792 -19.486 -5.090 1.00 3.24 H new ATOM 0 HA ASP A 43 -0.806 -19.212 -2.346 1.00 64.23 H new ATOM 0 HB2 ASP A 43 1.578 -18.827 -4.202 1.00 15.32 H new ATOM 0 HB3 ASP A 43 1.633 -19.335 -2.526 1.00 15.32 H new ATOM 378 N VAL A 44 0.107 -16.441 -3.887 1.00 33.32 N ATOM 379 CA VAL A 44 0.307 -15.009 -3.702 1.00 53.13 C ATOM 380 C VAL A 44 -1.025 -14.284 -3.544 1.00 11.03 C ATOM 381 O VAL A 44 -1.176 -13.424 -2.675 1.00 24.30 O ATOM 382 CB VAL A 44 1.076 -14.393 -4.886 1.00 4.44 C ATOM 383 CG1 VAL A 44 1.454 -12.950 -4.584 1.00 60.41 C ATOM 384 CG2 VAL A 44 2.312 -15.220 -5.206 1.00 30.23 C ATOM 0 H VAL A 44 0.165 -16.753 -4.856 1.00 33.32 H new ATOM 0 HA VAL A 44 0.895 -14.886 -2.792 1.00 53.13 H new ATOM 0 HB VAL A 44 0.426 -14.398 -5.761 1.00 4.44 H new ATOM 0 HG11 VAL A 44 1.997 -12.531 -5.431 1.00 60.41 H new ATOM 0 HG12 VAL A 44 0.550 -12.367 -4.407 1.00 60.41 H new ATOM 0 HG13 VAL A 44 2.086 -12.918 -3.697 1.00 60.41 H new ATOM 0 HG21 VAL A 44 2.843 -14.771 -6.045 1.00 30.23 H new ATOM 0 HG22 VAL A 44 2.967 -15.248 -4.335 1.00 30.23 H new ATOM 0 HG23 VAL A 44 2.013 -16.235 -5.468 1.00 30.23 H new ATOM 394 N ILE A 45 -1.989 -14.637 -4.388 1.00 5.21 N ATOM 395 CA ILE A 45 -3.309 -14.021 -4.340 1.00 43.32 C ATOM 396 C ILE A 45 -3.923 -14.145 -2.950 1.00 54.02 C ATOM 397 O ILE A 45 -4.737 -13.315 -2.545 1.00 20.41 O ATOM 398 CB ILE A 45 -4.263 -14.654 -5.370 1.00 31.13 C ATOM 399 CG1 ILE A 45 -3.714 -14.472 -6.786 1.00 50.22 C ATOM 400 CG2 ILE A 45 -5.651 -14.043 -5.251 1.00 73.01 C ATOM 401 CD1 ILE A 45 -3.646 -13.026 -7.227 1.00 31.25 C ATOM 0 H ILE A 45 -1.880 -15.346 -5.113 1.00 5.21 H new ATOM 0 HA ILE A 45 -3.175 -12.967 -4.582 1.00 43.32 H new ATOM 0 HB ILE A 45 -4.339 -15.722 -5.165 1.00 31.13 H new ATOM 0 HG12 ILE A 45 -2.716 -14.907 -6.839 1.00 50.22 H new ATOM 0 HG13 ILE A 45 -4.341 -15.027 -7.484 1.00 50.22 H new ATOM 0 HG21 ILE A 45 -6.314 -14.500 -5.985 1.00 73.01 H new ATOM 0 HG22 ILE A 45 -6.042 -14.220 -4.249 1.00 73.01 H new ATOM 0 HG23 ILE A 45 -5.593 -12.970 -5.433 1.00 73.01 H new ATOM 0 HD11 ILE A 45 -3.247 -12.973 -8.240 1.00 31.25 H new ATOM 0 HD12 ILE A 45 -4.646 -12.592 -7.207 1.00 31.25 H new ATOM 0 HD13 ILE A 45 -2.996 -12.470 -6.552 1.00 31.25 H new ATOM 413 N GLN A 46 -3.527 -15.186 -2.225 1.00 0.33 N ATOM 414 CA GLN A 46 -4.039 -15.417 -0.879 1.00 65.51 C ATOM 415 C GLN A 46 -3.074 -14.877 0.171 1.00 45.42 C ATOM 416 O GLN A 46 -3.490 -14.265 1.154 1.00 10.42 O ATOM 417 CB GLN A 46 -4.274 -16.911 -0.651 1.00 34.53 C ATOM 418 CG GLN A 46 -5.321 -17.511 -1.577 1.00 5.24 C ATOM 419 CD GLN A 46 -6.096 -18.640 -0.928 1.00 31.14 C ATOM 420 OE1 GLN A 46 -6.184 -19.741 -1.472 1.00 23.44 O ATOM 421 NE2 GLN A 46 -6.664 -18.373 0.242 1.00 12.44 N ATOM 0 H GLN A 46 -2.854 -15.882 -2.546 1.00 0.33 H new ATOM 0 HA GLN A 46 -4.987 -14.887 -0.782 1.00 65.51 H new ATOM 0 HB2 GLN A 46 -3.333 -17.443 -0.787 1.00 34.53 H new ATOM 0 HB3 GLN A 46 -4.582 -17.068 0.383 1.00 34.53 H new ATOM 0 HG2 GLN A 46 -6.015 -16.731 -1.888 1.00 5.24 H new ATOM 0 HG3 GLN A 46 -4.833 -17.882 -2.479 1.00 5.24 H new ATOM 0 HE21 GLN A 46 -6.566 -17.446 0.657 1.00 12.44 H new ATOM 0 HE22 GLN A 46 -7.199 -19.094 0.726 1.00 12.44 H new ATOM 430 N SER A 47 -1.782 -15.107 -0.045 1.00 33.12 N ATOM 431 CA SER A 47 -0.758 -14.647 0.885 1.00 0.53 C ATOM 432 C SER A 47 -0.889 -13.148 1.139 1.00 44.22 C ATOM 433 O SER A 47 -0.682 -12.675 2.257 1.00 13.03 O ATOM 434 CB SER A 47 0.636 -14.963 0.340 1.00 72.42 C ATOM 435 OG SER A 47 1.642 -14.338 1.118 1.00 61.55 O ATOM 0 H SER A 47 -1.420 -15.609 -0.856 1.00 33.12 H new ATOM 0 HA SER A 47 -0.898 -15.172 1.830 1.00 0.53 H new ATOM 0 HB2 SER A 47 0.792 -16.042 0.336 1.00 72.42 H new ATOM 0 HB3 SER A 47 0.710 -14.627 -0.694 1.00 72.42 H new ATOM 0 HG SER A 47 2.523 -14.557 0.750 1.00 61.55 H new ATOM 441 N LEU A 48 -1.233 -12.405 0.092 1.00 23.24 N ATOM 442 CA LEU A 48 -1.392 -10.959 0.200 1.00 45.03 C ATOM 443 C LEU A 48 -2.654 -10.606 0.979 1.00 31.24 C ATOM 444 O LEU A 48 -2.755 -9.527 1.561 1.00 2.02 O ATOM 445 CB LEU A 48 -1.445 -10.327 -1.192 1.00 60.45 C ATOM 446 CG LEU A 48 -0.104 -9.888 -1.782 1.00 13.30 C ATOM 447 CD1 LEU A 48 -0.195 -9.785 -3.297 1.00 31.14 C ATOM 448 CD2 LEU A 48 0.333 -8.560 -1.181 1.00 12.21 C ATOM 0 H LEU A 48 -1.407 -12.780 -0.840 1.00 23.24 H new ATOM 0 HA LEU A 48 -0.532 -10.563 0.740 1.00 45.03 H new ATOM 0 HB2 LEU A 48 -1.904 -11.041 -1.876 1.00 60.45 H new ATOM 0 HB3 LEU A 48 -2.102 -9.459 -1.150 1.00 60.45 H new ATOM 0 HG LEU A 48 0.644 -10.641 -1.534 1.00 13.30 H new ATOM 0 HD11 LEU A 48 0.768 -9.471 -3.699 1.00 31.14 H new ATOM 0 HD12 LEU A 48 -0.463 -10.757 -3.712 1.00 31.14 H new ATOM 0 HD13 LEU A 48 -0.956 -9.053 -3.567 1.00 31.14 H new ATOM 0 HD21 LEU A 48 1.289 -8.263 -1.612 1.00 12.21 H new ATOM 0 HD22 LEU A 48 -0.416 -7.798 -1.398 1.00 12.21 H new ATOM 0 HD23 LEU A 48 0.439 -8.667 -0.101 1.00 12.21 H new ATOM 460 N ASN A 49 -3.614 -11.525 0.988 1.00 33.21 N ATOM 461 CA ASN A 49 -4.870 -11.312 1.698 1.00 12.21 C ATOM 462 C ASN A 49 -5.132 -12.440 2.691 1.00 0.24 C ATOM 463 O ASN A 49 -5.987 -13.300 2.481 1.00 53.04 O ATOM 464 CB ASN A 49 -6.030 -11.211 0.706 1.00 74.43 C ATOM 465 CG ASN A 49 -5.766 -10.201 -0.393 1.00 45.52 C ATOM 466 OD1 ASN A 49 -6.099 -9.023 -0.262 1.00 0.30 O ATOM 467 ND2 ASN A 49 -5.163 -10.658 -1.485 1.00 10.33 N ATOM 0 H ASN A 49 -3.546 -12.424 0.512 1.00 33.21 H new ATOM 0 HA ASN A 49 -4.791 -10.376 2.251 1.00 12.21 H new ATOM 0 HB2 ASN A 49 -6.209 -12.190 0.261 1.00 74.43 H new ATOM 0 HB3 ASN A 49 -6.938 -10.933 1.241 1.00 74.43 H new ATOM 0 HD21 ASN A 49 -4.958 -10.024 -2.258 1.00 10.33 H new ATOM 0 HD22 ASN A 49 -4.905 -11.643 -1.551 1.00 10.33 H new ATOM 474 N PRO A 50 -4.379 -12.437 3.801 1.00 31.44 N ATOM 475 CA PRO A 50 -4.512 -13.453 4.850 1.00 1.23 C ATOM 476 C PRO A 50 -5.822 -13.323 5.620 1.00 4.14 C ATOM 477 O PRO A 50 -6.231 -14.242 6.328 1.00 24.32 O ATOM 478 CB PRO A 50 -3.321 -13.171 5.770 1.00 62.14 C ATOM 479 CG PRO A 50 -3.011 -11.730 5.557 1.00 10.52 C ATOM 480 CD PRO A 50 -3.340 -11.443 4.118 1.00 15.33 C ATOM 0 HA PRO A 50 -4.522 -14.463 4.440 1.00 1.23 H new ATOM 0 HB2 PRO A 50 -3.569 -13.373 6.812 1.00 62.14 H new ATOM 0 HB3 PRO A 50 -2.468 -13.801 5.518 1.00 62.14 H new ATOM 0 HG2 PRO A 50 -3.600 -11.101 6.225 1.00 10.52 H new ATOM 0 HG3 PRO A 50 -1.962 -11.522 5.766 1.00 10.52 H new ATOM 0 HD2 PRO A 50 -3.704 -10.424 3.985 1.00 15.33 H new ATOM 0 HD3 PRO A 50 -2.467 -11.556 3.476 1.00 15.33 H new ATOM 488 N GLY A 51 -6.476 -12.174 5.477 1.00 21.30 N ATOM 489 CA GLY A 51 -7.733 -11.946 6.165 1.00 10.32 C ATOM 490 C GLY A 51 -8.934 -12.309 5.315 1.00 61.42 C ATOM 491 O GLY A 51 -9.975 -11.656 5.386 1.00 31.52 O ATOM 0 H GLY A 51 -6.158 -11.398 4.897 1.00 21.30 H new ATOM 0 HA2 GLY A 51 -7.752 -12.532 7.084 1.00 10.32 H new ATOM 0 HA3 GLY A 51 -7.800 -10.897 6.454 1.00 10.32 H new ATOM 495 N VAL A 52 -8.790 -13.354 4.506 1.00 64.24 N ATOM 496 CA VAL A 52 -9.871 -13.804 3.637 1.00 50.50 C ATOM 497 C VAL A 52 -9.612 -15.215 3.122 1.00 10.03 C ATOM 498 O VAL A 52 -8.494 -15.550 2.732 1.00 45.42 O ATOM 499 CB VAL A 52 -10.057 -12.857 2.436 1.00 5.11 C ATOM 500 CG1 VAL A 52 -8.754 -12.712 1.664 1.00 71.31 C ATOM 501 CG2 VAL A 52 -11.170 -13.359 1.530 1.00 54.22 C ATOM 0 H VAL A 52 -7.935 -13.905 4.434 1.00 64.24 H new ATOM 0 HA VAL A 52 -10.781 -13.801 4.237 1.00 50.50 H new ATOM 0 HB VAL A 52 -10.341 -11.874 2.811 1.00 5.11 H new ATOM 0 HG11 VAL A 52 -8.904 -12.040 0.819 1.00 71.31 H new ATOM 0 HG12 VAL A 52 -7.986 -12.304 2.320 1.00 71.31 H new ATOM 0 HG13 VAL A 52 -8.437 -13.689 1.298 1.00 71.31 H new ATOM 0 HG21 VAL A 52 -11.288 -12.678 0.687 1.00 54.22 H new ATOM 0 HG22 VAL A 52 -10.918 -14.353 1.161 1.00 54.22 H new ATOM 0 HG23 VAL A 52 -12.103 -13.406 2.092 1.00 54.22 H new ATOM 511 N VAL A 53 -10.654 -16.040 3.124 1.00 72.11 N ATOM 512 CA VAL A 53 -10.541 -17.416 2.655 1.00 24.15 C ATOM 513 C VAL A 53 -11.521 -17.693 1.521 1.00 30.34 C ATOM 514 O VAL A 53 -12.547 -17.028 1.378 1.00 32.31 O ATOM 515 CB VAL A 53 -10.795 -18.420 3.796 1.00 45.03 C ATOM 516 CG1 VAL A 53 -9.572 -18.528 4.694 1.00 20.22 C ATOM 517 CG2 VAL A 53 -12.022 -18.015 4.598 1.00 2.11 C ATOM 0 H VAL A 53 -11.586 -15.779 3.445 1.00 72.11 H new ATOM 0 HA VAL A 53 -9.522 -17.543 2.289 1.00 24.15 H new ATOM 0 HB VAL A 53 -10.983 -19.401 3.359 1.00 45.03 H new ATOM 0 HG11 VAL A 53 -9.770 -19.241 5.494 1.00 20.22 H new ATOM 0 HG12 VAL A 53 -8.719 -18.868 4.107 1.00 20.22 H new ATOM 0 HG13 VAL A 53 -9.350 -17.552 5.125 1.00 20.22 H new ATOM 0 HG21 VAL A 53 -12.187 -18.735 5.400 1.00 2.11 H new ATOM 0 HG22 VAL A 53 -11.866 -17.025 5.026 1.00 2.11 H new ATOM 0 HG23 VAL A 53 -12.894 -17.995 3.944 1.00 2.11 H new ATOM 527 N PRO A 54 -11.200 -18.700 0.695 1.00 52.44 N ATOM 528 CA PRO A 54 -12.041 -19.089 -0.442 1.00 25.24 C ATOM 529 C PRO A 54 -13.348 -19.739 0.000 1.00 44.41 C ATOM 530 O PRO A 54 -14.364 -19.644 -0.689 1.00 13.24 O ATOM 531 CB PRO A 54 -11.171 -20.097 -1.197 1.00 21.43 C ATOM 532 CG PRO A 54 -10.253 -20.654 -0.164 1.00 31.41 C ATOM 533 CD PRO A 54 -9.993 -19.535 0.806 1.00 44.13 C ATOM 0 HA PRO A 54 -12.340 -18.229 -1.042 1.00 25.24 H new ATOM 0 HB2 PRO A 54 -11.777 -20.881 -1.652 1.00 21.43 H new ATOM 0 HB3 PRO A 54 -10.616 -19.616 -2.002 1.00 21.43 H new ATOM 0 HG2 PRO A 54 -10.704 -21.509 0.339 1.00 31.41 H new ATOM 0 HG3 PRO A 54 -9.324 -21.003 -0.615 1.00 31.41 H new ATOM 0 HD2 PRO A 54 -9.854 -19.907 1.821 1.00 44.13 H new ATOM 0 HD3 PRO A 54 -9.093 -18.978 0.545 1.00 44.13 H new ATOM 541 N THR A 55 -13.315 -20.399 1.153 1.00 12.14 N ATOM 542 CA THR A 55 -14.497 -21.065 1.687 1.00 40.45 C ATOM 543 C THR A 55 -15.627 -20.070 1.928 1.00 44.15 C ATOM 544 O THR A 55 -16.803 -20.426 1.868 1.00 35.52 O ATOM 545 CB THR A 55 -14.183 -21.797 3.005 1.00 43.41 C ATOM 546 OG1 THR A 55 -12.833 -22.274 2.990 1.00 22.24 O ATOM 547 CG2 THR A 55 -15.136 -22.963 3.217 1.00 13.31 C ATOM 0 H THR A 55 -12.482 -20.487 1.735 1.00 12.14 H new ATOM 0 HA THR A 55 -14.812 -21.795 0.941 1.00 40.45 H new ATOM 0 HB THR A 55 -14.310 -21.092 3.826 1.00 43.41 H new ATOM 0 HG1 THR A 55 -12.640 -22.737 3.832 1.00 22.24 H new ATOM 0 HG21 THR A 55 -14.895 -23.465 4.154 1.00 13.31 H new ATOM 0 HG22 THR A 55 -16.160 -22.593 3.257 1.00 13.31 H new ATOM 0 HG23 THR A 55 -15.037 -23.668 2.392 1.00 13.31 H new ATOM 555 N ARG A 56 -15.261 -18.821 2.199 1.00 75.20 N ATOM 556 CA ARG A 56 -16.245 -17.775 2.449 1.00 12.25 C ATOM 557 C ARG A 56 -16.229 -16.735 1.333 1.00 4.53 C ATOM 558 O ARG A 56 -16.469 -15.550 1.570 1.00 11.14 O ATOM 559 CB ARG A 56 -15.972 -17.100 3.795 1.00 42.43 C ATOM 560 CG ARG A 56 -15.677 -18.079 4.919 1.00 63.01 C ATOM 561 CD ARG A 56 -15.566 -17.371 6.260 1.00 1.20 C ATOM 562 NE ARG A 56 -14.949 -18.218 7.277 1.00 32.12 N ATOM 563 CZ ARG A 56 -14.429 -17.750 8.406 1.00 22.43 C ATOM 564 NH1 ARG A 56 -14.451 -16.450 8.662 1.00 50.44 N ATOM 565 NH2 ARG A 56 -13.885 -18.585 9.283 1.00 11.22 N ATOM 0 H ARG A 56 -14.291 -18.509 2.251 1.00 75.20 H new ATOM 0 HA ARG A 56 -17.232 -18.238 2.476 1.00 12.25 H new ATOM 0 HB2 ARG A 56 -15.127 -16.420 3.686 1.00 42.43 H new ATOM 0 HB3 ARG A 56 -16.835 -16.494 4.070 1.00 42.43 H new ATOM 0 HG2 ARG A 56 -16.467 -18.829 4.967 1.00 63.01 H new ATOM 0 HG3 ARG A 56 -14.748 -18.608 4.708 1.00 63.01 H new ATOM 0 HD2 ARG A 56 -14.979 -16.460 6.142 1.00 1.20 H new ATOM 0 HD3 ARG A 56 -16.559 -17.069 6.594 1.00 1.20 H new ATOM 0 HE ARG A 56 -14.916 -19.224 7.111 1.00 32.12 H new ATOM 0 HH11 ARG A 56 -14.868 -15.805 7.991 1.00 50.44 H new ATOM 0 HH12 ARG A 56 -14.051 -16.094 9.530 1.00 50.44 H new ATOM 0 HH21 ARG A 56 -13.866 -19.586 9.090 1.00 11.22 H new ATOM 0 HH22 ARG A 56 -13.486 -18.225 10.150 1.00 11.22 H new ATOM 579 N LEU A 57 -15.943 -17.185 0.117 1.00 43.54 N ATOM 580 CA LEU A 57 -15.894 -16.293 -1.037 1.00 41.10 C ATOM 581 C LEU A 57 -17.172 -15.466 -1.141 1.00 24.33 C ATOM 582 O LEU A 57 -18.274 -16.012 -1.170 1.00 71.42 O ATOM 583 CB LEU A 57 -15.689 -17.099 -2.321 1.00 3.21 C ATOM 584 CG LEU A 57 -15.247 -16.303 -3.550 1.00 0.04 C ATOM 585 CD1 LEU A 57 -14.483 -17.194 -4.516 1.00 62.14 C ATOM 586 CD2 LEU A 57 -16.449 -15.674 -4.238 1.00 54.21 C ATOM 0 H LEU A 57 -15.741 -18.162 -0.096 1.00 43.54 H new ATOM 0 HA LEU A 57 -15.053 -15.613 -0.904 1.00 41.10 H new ATOM 0 HB2 LEU A 57 -14.945 -17.871 -2.126 1.00 3.21 H new ATOM 0 HB3 LEU A 57 -16.623 -17.608 -2.559 1.00 3.21 H new ATOM 0 HG LEU A 57 -14.582 -15.504 -3.222 1.00 0.04 H new ATOM 0 HD11 LEU A 57 -14.177 -16.611 -5.384 1.00 62.14 H new ATOM 0 HD12 LEU A 57 -13.600 -17.596 -4.019 1.00 62.14 H new ATOM 0 HD13 LEU A 57 -15.124 -18.015 -4.838 1.00 62.14 H new ATOM 0 HD21 LEU A 57 -16.116 -15.112 -5.110 1.00 54.21 H new ATOM 0 HD22 LEU A 57 -17.139 -16.457 -4.553 1.00 54.21 H new ATOM 0 HD23 LEU A 57 -16.955 -15.002 -3.545 1.00 54.21 H new ATOM 598 N GLN A 58 -17.014 -14.148 -1.198 1.00 13.22 N ATOM 599 CA GLN A 58 -18.156 -13.246 -1.300 1.00 21.40 C ATOM 600 C GLN A 58 -17.972 -12.263 -2.451 1.00 4.10 C ATOM 601 O GLN A 58 -17.046 -11.451 -2.445 1.00 55.31 O ATOM 602 CB GLN A 58 -18.350 -12.484 0.012 1.00 64.01 C ATOM 603 CG GLN A 58 -18.917 -13.338 1.134 1.00 75.22 C ATOM 604 CD GLN A 58 -20.425 -13.478 1.055 1.00 61.42 C ATOM 605 OE1 GLN A 58 -20.943 -14.356 0.363 1.00 0.52 O ATOM 606 NE2 GLN A 58 -21.138 -12.612 1.765 1.00 33.31 N ATOM 0 H GLN A 58 -16.108 -13.681 -1.175 1.00 13.22 H new ATOM 0 HA GLN A 58 -19.044 -13.846 -1.498 1.00 21.40 H new ATOM 0 HB2 GLN A 58 -17.391 -12.073 0.329 1.00 64.01 H new ATOM 0 HB3 GLN A 58 -19.017 -11.640 -0.163 1.00 64.01 H new ATOM 0 HG2 GLN A 58 -18.462 -14.328 1.098 1.00 75.22 H new ATOM 0 HG3 GLN A 58 -18.646 -12.897 2.093 1.00 75.22 H new ATOM 0 HE21 GLN A 58 -20.667 -11.901 2.324 1.00 33.31 H new ATOM 0 HE22 GLN A 58 -22.157 -12.658 1.751 1.00 33.31 H new ATOM 615 N VAL A 59 -18.858 -12.342 -3.438 1.00 52.02 N ATOM 616 CA VAL A 59 -18.794 -11.458 -4.596 1.00 61.31 C ATOM 617 C VAL A 59 -18.956 -10.000 -4.184 1.00 15.41 C ATOM 618 O VAL A 59 -19.794 -9.670 -3.346 1.00 33.25 O ATOM 619 CB VAL A 59 -19.877 -11.811 -5.632 1.00 74.44 C ATOM 620 CG1 VAL A 59 -19.762 -13.269 -6.050 1.00 62.35 C ATOM 621 CG2 VAL A 59 -21.262 -11.516 -5.077 1.00 12.35 C ATOM 0 H VAL A 59 -19.629 -13.009 -3.459 1.00 52.02 H new ATOM 0 HA VAL A 59 -17.811 -11.598 -5.047 1.00 61.31 H new ATOM 0 HB VAL A 59 -19.725 -11.191 -6.516 1.00 74.44 H new ATOM 0 HG11 VAL A 59 -20.536 -13.500 -6.782 1.00 62.35 H new ATOM 0 HG12 VAL A 59 -18.781 -13.445 -6.491 1.00 62.35 H new ATOM 0 HG13 VAL A 59 -19.887 -13.909 -5.176 1.00 62.35 H new ATOM 0 HG21 VAL A 59 -22.015 -11.772 -5.823 1.00 12.35 H new ATOM 0 HG22 VAL A 59 -21.427 -12.108 -4.177 1.00 12.35 H new ATOM 0 HG23 VAL A 59 -21.338 -10.456 -4.833 1.00 12.35 H new ATOM 631 N GLY A 60 -18.149 -9.128 -4.780 1.00 65.13 N ATOM 632 CA GLY A 60 -18.219 -7.714 -4.463 1.00 2.24 C ATOM 633 C GLY A 60 -17.312 -7.333 -3.310 1.00 5.14 C ATOM 634 O GLY A 60 -17.713 -6.586 -2.417 1.00 64.23 O ATOM 0 H GLY A 60 -17.447 -9.376 -5.477 1.00 65.13 H new ATOM 0 HA2 GLY A 60 -17.945 -7.133 -5.344 1.00 2.24 H new ATOM 0 HA3 GLY A 60 -19.247 -7.451 -4.215 1.00 2.24 H new ATOM 638 N GLN A 61 -16.087 -7.848 -3.327 1.00 64.32 N ATOM 639 CA GLN A 61 -15.121 -7.559 -2.273 1.00 74.11 C ATOM 640 C GLN A 61 -13.774 -7.157 -2.864 1.00 71.21 C ATOM 641 O GLN A 61 -13.291 -7.776 -3.813 1.00 13.42 O ATOM 642 CB GLN A 61 -14.950 -8.776 -1.362 1.00 44.21 C ATOM 643 CG GLN A 61 -14.303 -8.449 -0.026 1.00 12.43 C ATOM 644 CD GLN A 61 -13.430 -9.575 0.491 1.00 3.33 C ATOM 645 OE1 GLN A 61 -12.300 -9.350 0.926 1.00 43.20 O ATOM 646 NE2 GLN A 61 -13.950 -10.796 0.447 1.00 4.31 N ATOM 0 H GLN A 61 -15.740 -8.468 -4.059 1.00 64.32 H new ATOM 0 HA GLN A 61 -15.502 -6.724 -1.684 1.00 74.11 H new ATOM 0 HB2 GLN A 61 -15.927 -9.226 -1.183 1.00 44.21 H new ATOM 0 HB3 GLN A 61 -14.345 -9.522 -1.876 1.00 44.21 H new ATOM 0 HG2 GLN A 61 -13.701 -7.546 -0.129 1.00 12.43 H new ATOM 0 HG3 GLN A 61 -15.081 -8.232 0.706 1.00 12.43 H new ATOM 0 HE21 GLN A 61 -14.891 -10.937 0.078 1.00 4.31 H new ATOM 0 HE22 GLN A 61 -13.409 -11.593 0.782 1.00 4.31 H new ATOM 655 N VAL A 62 -13.171 -6.117 -2.297 1.00 55.22 N ATOM 656 CA VAL A 62 -11.879 -5.632 -2.767 1.00 72.44 C ATOM 657 C VAL A 62 -10.734 -6.358 -2.071 1.00 3.05 C ATOM 658 O VAL A 62 -10.834 -6.713 -0.896 1.00 2.34 O ATOM 659 CB VAL A 62 -11.729 -4.117 -2.535 1.00 74.21 C ATOM 660 CG1 VAL A 62 -10.420 -3.613 -3.123 1.00 71.52 C ATOM 661 CG2 VAL A 62 -12.913 -3.368 -3.128 1.00 70.13 C ATOM 0 H VAL A 62 -13.557 -5.594 -1.511 1.00 55.22 H new ATOM 0 HA VAL A 62 -11.836 -5.833 -3.837 1.00 72.44 H new ATOM 0 HB VAL A 62 -11.712 -3.932 -1.461 1.00 74.21 H new ATOM 0 HG11 VAL A 62 -10.332 -2.541 -2.949 1.00 71.52 H new ATOM 0 HG12 VAL A 62 -9.585 -4.127 -2.647 1.00 71.52 H new ATOM 0 HG13 VAL A 62 -10.403 -3.809 -4.195 1.00 71.52 H new ATOM 0 HG21 VAL A 62 -12.791 -2.299 -2.955 1.00 70.13 H new ATOM 0 HG22 VAL A 62 -12.964 -3.559 -4.200 1.00 70.13 H new ATOM 0 HG23 VAL A 62 -13.834 -3.709 -2.654 1.00 70.13 H new ATOM 671 N ILE A 63 -9.646 -6.575 -2.802 1.00 40.02 N ATOM 672 CA ILE A 63 -8.480 -7.257 -2.254 1.00 15.04 C ATOM 673 C ILE A 63 -7.187 -6.612 -2.739 1.00 41.21 C ATOM 674 O ILE A 63 -7.211 -5.647 -3.502 1.00 60.22 O ATOM 675 CB ILE A 63 -8.471 -8.749 -2.634 1.00 23.42 C ATOM 676 CG1 ILE A 63 -8.493 -8.911 -4.155 1.00 44.42 C ATOM 677 CG2 ILE A 63 -9.656 -9.464 -2.003 1.00 31.51 C ATOM 678 CD1 ILE A 63 -7.802 -10.166 -4.640 1.00 4.02 C ATOM 0 H ILE A 63 -9.548 -6.288 -3.776 1.00 40.02 H new ATOM 0 HA ILE A 63 -8.543 -7.167 -1.170 1.00 15.04 H new ATOM 0 HB ILE A 63 -7.555 -9.200 -2.253 1.00 23.42 H new ATOM 0 HG12 ILE A 63 -9.528 -8.921 -4.496 1.00 44.42 H new ATOM 0 HG13 ILE A 63 -8.016 -8.044 -4.611 1.00 44.42 H new ATOM 0 HG21 ILE A 63 -9.635 -10.518 -2.281 1.00 31.51 H new ATOM 0 HG22 ILE A 63 -9.600 -9.374 -0.918 1.00 31.51 H new ATOM 0 HG23 ILE A 63 -10.583 -9.013 -2.357 1.00 31.51 H new ATOM 0 HD11 ILE A 63 -7.857 -10.214 -5.728 1.00 4.02 H new ATOM 0 HD12 ILE A 63 -6.757 -10.149 -4.330 1.00 4.02 H new ATOM 0 HD13 ILE A 63 -8.293 -11.040 -4.213 1.00 4.02 H new ATOM 690 N ASN A 64 -6.058 -7.153 -2.292 1.00 52.30 N ATOM 691 CA ASN A 64 -4.753 -6.630 -2.682 1.00 35.50 C ATOM 692 C ASN A 64 -4.066 -7.567 -3.671 1.00 20.23 C ATOM 693 O ASN A 64 -4.109 -8.788 -3.519 1.00 30.14 O ATOM 694 CB ASN A 64 -3.870 -6.435 -1.448 1.00 63.04 C ATOM 695 CG ASN A 64 -4.040 -5.062 -0.827 1.00 33.55 C ATOM 696 OD1 ASN A 64 -3.334 -4.117 -1.178 1.00 24.55 O ATOM 697 ND2 ASN A 64 -4.982 -4.947 0.103 1.00 61.02 N ATOM 0 H ASN A 64 -6.020 -7.953 -1.660 1.00 52.30 H new ATOM 0 HA ASN A 64 -4.905 -5.666 -3.168 1.00 35.50 H new ATOM 0 HB2 ASN A 64 -4.111 -7.198 -0.708 1.00 63.04 H new ATOM 0 HB3 ASN A 64 -2.826 -6.579 -1.725 1.00 63.04 H new ATOM 0 HD21 ASN A 64 -5.143 -4.048 0.557 1.00 61.02 H new ATOM 0 HD22 ASN A 64 -5.544 -5.758 0.363 1.00 61.02 H new ATOM 704 N VAL A 65 -3.431 -6.987 -4.684 1.00 53.32 N ATOM 705 CA VAL A 65 -2.733 -7.769 -5.697 1.00 43.43 C ATOM 706 C VAL A 65 -1.467 -7.058 -6.164 1.00 55.14 C ATOM 707 O VAL A 65 -1.339 -5.837 -6.065 1.00 64.53 O ATOM 708 CB VAL A 65 -3.634 -8.042 -6.916 1.00 14.02 C ATOM 709 CG1 VAL A 65 -4.625 -9.155 -6.608 1.00 42.34 C ATOM 710 CG2 VAL A 65 -4.360 -6.773 -7.337 1.00 4.33 C ATOM 0 H VAL A 65 -3.386 -5.978 -4.825 1.00 53.32 H new ATOM 0 HA VAL A 65 -2.464 -8.718 -5.234 1.00 43.43 H new ATOM 0 HB VAL A 65 -3.005 -8.366 -7.746 1.00 14.02 H new ATOM 0 HG11 VAL A 65 -5.253 -9.334 -7.480 1.00 42.34 H new ATOM 0 HG12 VAL A 65 -4.082 -10.067 -6.358 1.00 42.34 H new ATOM 0 HG13 VAL A 65 -5.250 -8.862 -5.765 1.00 42.34 H new ATOM 0 HG21 VAL A 65 -4.992 -6.984 -8.200 1.00 4.33 H new ATOM 0 HG22 VAL A 65 -4.978 -6.417 -6.513 1.00 4.33 H new ATOM 0 HG23 VAL A 65 -3.631 -6.007 -7.601 1.00 4.33 H new ATOM 720 N PRO A 66 -0.509 -7.838 -6.687 1.00 14.31 N ATOM 721 CA PRO A 66 0.763 -7.304 -7.181 1.00 63.33 C ATOM 722 C PRO A 66 0.593 -6.489 -8.459 1.00 23.32 C ATOM 723 O PRO A 66 0.312 -7.038 -9.525 1.00 22.03 O ATOM 724 CB PRO A 66 1.592 -8.562 -7.455 1.00 43.45 C ATOM 725 CG PRO A 66 0.586 -9.632 -7.705 1.00 43.42 C ATOM 726 CD PRO A 66 -0.595 -9.300 -6.836 1.00 32.20 C ATOM 0 HA PRO A 66 1.223 -6.620 -6.468 1.00 63.33 H new ATOM 0 HB2 PRO A 66 2.246 -8.425 -8.316 1.00 43.45 H new ATOM 0 HB3 PRO A 66 2.230 -8.809 -6.606 1.00 43.45 H new ATOM 0 HG2 PRO A 66 0.301 -9.662 -8.757 1.00 43.42 H new ATOM 0 HG3 PRO A 66 0.990 -10.613 -7.456 1.00 43.42 H new ATOM 0 HD2 PRO A 66 -1.533 -9.602 -7.301 1.00 32.20 H new ATOM 0 HD3 PRO A 66 -0.540 -9.806 -5.872 1.00 32.20 H new ATOM 734 N CYS A 67 0.766 -5.177 -8.345 1.00 52.41 N ATOM 735 CA CYS A 67 0.632 -4.285 -9.491 1.00 35.13 C ATOM 736 C CYS A 67 1.638 -4.644 -10.580 1.00 41.10 C ATOM 737 O CYS A 67 2.750 -5.085 -10.290 1.00 22.12 O ATOM 738 CB CYS A 67 0.829 -2.831 -9.058 1.00 14.03 C ATOM 739 SG CYS A 67 -0.130 -1.628 -10.033 1.00 74.14 S ATOM 0 H CYS A 67 0.999 -4.707 -7.470 1.00 52.41 H new ATOM 0 HA CYS A 67 -0.373 -4.403 -9.896 1.00 35.13 H new ATOM 0 HB2 CYS A 67 0.552 -2.735 -8.008 1.00 14.03 H new ATOM 0 HB3 CYS A 67 1.887 -2.581 -9.132 1.00 14.03 H new TER 744 CYS A 67