USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 378 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 Set 1.1: A 48 MET CE :methyl 161:sc=-0.00402 (180deg=-0.397) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 48:sc=0.000872 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 150:sc= -0.0169 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -41:sc= -0.027 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.911) USER MOD Single : A 58 CYS SG : rot 180:sc= 0.0746 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -33:sc= 0.698 USER MOD Single : A 66 MET CE :methyl 173:sc= 0 (180deg=-0.00352) USER MOD Single : A 72 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLU A 23 4.299 -7.462 13.211 1.00 0.00 N ATOM 60 CA GLU A 23 4.282 -6.967 11.824 1.00 0.00 C ATOM 61 C GLU A 23 2.893 -7.150 11.177 1.00 0.00 C ATOM 62 O GLU A 23 2.044 -7.867 11.714 1.00 0.00 O ATOM 63 CB GLU A 23 5.377 -7.682 11.002 1.00 0.00 C ATOM 64 CG GLU A 23 5.170 -9.198 10.854 1.00 0.00 C ATOM 65 CD GLU A 23 6.342 -9.840 10.086 1.00 0.00 C ATOM 66 OE1 GLU A 23 6.304 -9.873 8.833 1.00 0.00 O ATOM 67 OE2 GLU A 23 7.307 -10.323 10.729 1.00 0.00 O ATOM 0 HA GLU A 23 4.491 -5.897 11.835 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.420 -7.235 10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.343 -7.504 11.474 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.082 -9.655 11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.235 -9.392 10.328 1.00 0.00 H new ATOM 74 N CYS A 24 2.666 -6.555 10.000 1.00 0.00 N ATOM 75 CA CYS A 24 1.452 -6.750 9.197 1.00 0.00 C ATOM 76 C CYS A 24 1.800 -7.221 7.772 1.00 0.00 C ATOM 77 O CYS A 24 1.821 -6.445 6.812 1.00 0.00 O ATOM 78 CB CYS A 24 0.572 -5.491 9.239 1.00 0.00 C ATOM 79 SG CYS A 24 -1.114 -5.789 8.633 1.00 0.00 S ATOM 0 H CYS A 24 3.332 -5.913 9.571 1.00 0.00 H new ATOM 0 HA CYS A 24 0.856 -7.552 9.632 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.525 -5.121 10.263 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.036 -4.709 8.638 1.00 0.00 H new ATOM 84 N THR A 25 2.113 -8.515 7.645 1.00 0.00 N ATOM 85 CA THR A 25 2.284 -9.206 6.356 1.00 0.00 C ATOM 86 C THR A 25 0.943 -9.374 5.621 1.00 0.00 C ATOM 87 O THR A 25 -0.131 -9.284 6.224 1.00 0.00 O ATOM 88 CB THR A 25 2.995 -10.555 6.569 1.00 0.00 C ATOM 89 OG1 THR A 25 3.371 -11.096 5.325 1.00 0.00 O ATOM 90 CG2 THR A 25 2.159 -11.603 7.308 1.00 0.00 C ATOM 0 H THR A 25 2.258 -9.126 8.449 1.00 0.00 H new ATOM 0 HA THR A 25 2.913 -8.589 5.715 1.00 0.00 H new ATOM 0 HB THR A 25 3.857 -10.331 7.197 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.825 -11.953 5.465 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.737 -12.521 7.414 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.893 -11.226 8.295 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.251 -11.810 6.742 1.00 0.00 H new ATOM 98 N VAL A 26 0.989 -9.619 4.311 1.00 0.00 N ATOM 99 CA VAL A 26 -0.197 -9.821 3.459 1.00 0.00 C ATOM 100 C VAL A 26 -0.704 -11.275 3.587 1.00 0.00 C ATOM 101 O VAL A 26 0.108 -12.207 3.541 1.00 0.00 O ATOM 102 CB VAL A 26 0.115 -9.486 1.989 1.00 0.00 C ATOM 103 CG1 VAL A 26 -1.113 -9.511 1.078 1.00 0.00 C ATOM 104 CG2 VAL A 26 0.743 -8.088 1.862 1.00 0.00 C ATOM 0 H VAL A 26 1.867 -9.685 3.796 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.981 -9.144 3.798 1.00 0.00 H new ATOM 0 HB VAL A 26 0.806 -10.266 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.815 -9.265 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.559 -10.505 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.841 -8.780 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.953 -7.877 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.050 -7.341 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.671 -8.053 2.432 1.00 0.00 H new ATOM 114 N PRO A 27 -2.023 -11.503 3.750 1.00 0.00 N ATOM 115 CA PRO A 27 -2.619 -12.835 3.872 1.00 0.00 C ATOM 116 C PRO A 27 -2.681 -13.591 2.529 1.00 0.00 C ATOM 117 O PRO A 27 -2.380 -13.048 1.461 1.00 0.00 O ATOM 118 CB PRO A 27 -4.016 -12.576 4.449 1.00 0.00 C ATOM 119 CG PRO A 27 -4.388 -11.232 3.830 1.00 0.00 C ATOM 120 CD PRO A 27 -3.055 -10.484 3.819 1.00 0.00 C ATOM 0 HA PRO A 27 -2.019 -13.484 4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.721 -13.359 4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.003 -12.531 5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.795 -11.348 2.826 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.140 -10.709 4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.994 -9.809 2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.942 -9.875 4.716 1.00 0.00 H new ATOM 128 N ILE A 28 -3.095 -14.861 2.583 1.00 0.00 N ATOM 129 CA ILE A 28 -3.236 -15.762 1.424 1.00 0.00 C ATOM 130 C ILE A 28 -4.246 -15.195 0.406 1.00 0.00 C ATOM 131 O ILE A 28 -5.316 -14.704 0.777 1.00 0.00 O ATOM 132 CB ILE A 28 -3.641 -17.188 1.888 1.00 0.00 C ATOM 133 CG1 ILE A 28 -2.648 -17.752 2.938 1.00 0.00 C ATOM 134 CG2 ILE A 28 -3.732 -18.150 0.686 1.00 0.00 C ATOM 135 CD1 ILE A 28 -3.080 -19.082 3.573 1.00 0.00 C ATOM 0 H ILE A 28 -3.351 -15.310 3.463 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.270 -15.833 0.924 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.622 -17.107 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.676 -17.889 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.516 -17.013 3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.017 -19.142 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.480 -17.784 -0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.763 -18.204 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.328 -19.402 4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.036 -18.950 4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.183 -19.840 2.796 1.00 0.00 H new ATOM 147 N GLY A 29 -3.905 -15.287 -0.883 1.00 0.00 N ATOM 148 CA GLY A 29 -4.712 -14.850 -2.030 1.00 0.00 C ATOM 149 C GLY A 29 -3.977 -13.831 -2.904 1.00 0.00 C ATOM 150 O GLY A 29 -3.806 -14.047 -4.107 1.00 0.00 O ATOM 0 H GLY A 29 -3.013 -15.689 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.980 -15.717 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.643 -14.412 -1.670 1.00 0.00 H new ATOM 154 N TRP A 30 -3.527 -12.729 -2.298 1.00 0.00 N ATOM 155 CA TRP A 30 -2.699 -11.700 -2.940 1.00 0.00 C ATOM 156 C TRP A 30 -1.215 -12.102 -3.065 1.00 0.00 C ATOM 157 O TRP A 30 -0.796 -13.184 -2.644 1.00 0.00 O ATOM 158 CB TRP A 30 -2.876 -10.372 -2.198 1.00 0.00 C ATOM 159 CG TRP A 30 -4.276 -9.839 -2.212 1.00 0.00 C ATOM 160 CD1 TRP A 30 -5.006 -9.539 -3.311 1.00 0.00 C ATOM 161 CD2 TRP A 30 -5.131 -9.543 -1.076 1.00 0.00 C ATOM 162 NE1 TRP A 30 -6.247 -9.061 -2.926 1.00 0.00 N ATOM 163 CE2 TRP A 30 -6.373 -9.036 -1.553 1.00 0.00 C ATOM 164 CE3 TRP A 30 -4.961 -9.660 0.313 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -7.402 -8.647 -0.682 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -5.981 -9.262 1.202 1.00 0.00 C ATOM 167 CH2 TRP A 30 -7.199 -8.759 0.706 1.00 0.00 C ATOM 0 H TRP A 30 -3.733 -12.521 -1.321 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.044 -11.585 -3.967 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.560 -10.503 -1.163 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -2.213 -9.630 -2.642 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.672 -9.655 -4.332 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.976 -8.765 -3.575 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.038 -10.060 0.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.335 -8.267 -1.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -5.827 -9.343 2.268 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -7.978 -8.459 1.391 1.00 0.00 H new ATOM 178 N SER A 31 -0.416 -11.214 -3.661 1.00 0.00 N ATOM 179 CA SER A 31 1.006 -11.395 -3.989 1.00 0.00 C ATOM 180 C SER A 31 1.809 -10.121 -3.679 1.00 0.00 C ATOM 181 O SER A 31 1.889 -9.185 -4.477 1.00 0.00 O ATOM 182 CB SER A 31 1.178 -11.869 -5.444 1.00 0.00 C ATOM 183 OG SER A 31 0.409 -11.108 -6.370 1.00 0.00 O ATOM 0 H SER A 31 -0.760 -10.297 -3.945 1.00 0.00 H new ATOM 0 HA SER A 31 1.413 -12.182 -3.354 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.231 -11.809 -5.718 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.890 -12.918 -5.516 1.00 0.00 H new ATOM 0 HG SER A 31 0.542 -10.152 -6.198 1.00 0.00 H new ATOM 189 N GLU A 32 2.368 -10.055 -2.466 1.00 0.00 N ATOM 190 CA GLU A 32 3.136 -8.900 -1.973 1.00 0.00 C ATOM 191 C GLU A 32 4.464 -8.665 -2.740 1.00 0.00 C ATOM 192 O GLU A 32 5.032 -9.618 -3.293 1.00 0.00 O ATOM 193 CB GLU A 32 3.371 -9.064 -0.460 1.00 0.00 C ATOM 194 CG GLU A 32 4.397 -10.137 -0.061 1.00 0.00 C ATOM 195 CD GLU A 32 4.516 -10.306 1.468 1.00 0.00 C ATOM 196 OE1 GLU A 32 4.183 -9.361 2.226 1.00 0.00 O ATOM 197 OE2 GLU A 32 4.977 -11.386 1.912 1.00 0.00 O ATOM 0 H GLU A 32 2.300 -10.813 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 32 2.546 -8.003 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.697 -8.106 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.419 -9.303 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.112 -11.090 -0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.372 -9.872 -0.470 1.00 0.00 H new ATOM 204 N PRO A 33 4.998 -7.425 -2.769 1.00 0.00 N ATOM 205 CA PRO A 33 6.268 -7.121 -3.429 1.00 0.00 C ATOM 206 C PRO A 33 7.478 -7.661 -2.647 1.00 0.00 C ATOM 207 O PRO A 33 7.462 -7.752 -1.415 1.00 0.00 O ATOM 208 CB PRO A 33 6.307 -5.592 -3.539 1.00 0.00 C ATOM 209 CG PRO A 33 5.486 -5.129 -2.338 1.00 0.00 C ATOM 210 CD PRO A 33 4.403 -6.202 -2.247 1.00 0.00 C ATOM 0 HA PRO A 33 6.330 -7.603 -4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.328 -5.212 -3.498 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.875 -5.246 -4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.087 -5.080 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.063 -4.137 -2.494 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.075 -6.338 -1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.524 -5.918 -2.826 1.00 0.00 H new ATOM 218 N VAL A 34 8.557 -7.969 -3.375 1.00 0.00 N ATOM 219 CA VAL A 34 9.838 -8.474 -2.829 1.00 0.00 C ATOM 220 C VAL A 34 10.916 -7.370 -2.767 1.00 0.00 C ATOM 221 O VAL A 34 11.854 -7.462 -1.971 1.00 0.00 O ATOM 222 CB VAL A 34 10.302 -9.711 -3.637 1.00 0.00 C ATOM 223 CG1 VAL A 34 11.599 -10.338 -3.112 1.00 0.00 C ATOM 224 CG2 VAL A 34 9.234 -10.818 -3.612 1.00 0.00 C ATOM 0 H VAL A 34 8.572 -7.874 -4.390 1.00 0.00 H new ATOM 0 HA VAL A 34 9.677 -8.786 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 34 10.471 -9.333 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.862 -11.199 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.402 -9.602 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.456 -10.659 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.585 -11.675 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.050 -11.123 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.309 -10.442 -4.050 1.00 0.00 H new ATOM 234 N LYS A 35 10.757 -6.292 -3.551 1.00 0.00 N ATOM 235 CA LYS A 35 11.631 -5.104 -3.618 1.00 0.00 C ATOM 236 C LYS A 35 10.911 -3.839 -3.112 1.00 0.00 C ATOM 237 O LYS A 35 9.709 -3.865 -2.838 1.00 0.00 O ATOM 238 CB LYS A 35 12.152 -4.926 -5.061 1.00 0.00 C ATOM 239 CG LYS A 35 12.995 -6.108 -5.582 1.00 0.00 C ATOM 240 CD LYS A 35 12.223 -7.188 -6.365 1.00 0.00 C ATOM 241 CE LYS A 35 11.666 -6.721 -7.721 1.00 0.00 C ATOM 242 NZ LYS A 35 12.737 -6.483 -8.726 1.00 0.00 N ATOM 0 H LYS A 35 9.969 -6.219 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 35 12.483 -5.259 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.301 -4.781 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.753 -4.018 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.782 -5.713 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.485 -6.583 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.884 -8.039 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.396 -7.542 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.974 -7.471 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.095 -5.803 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.310 -6.170 -9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.384 -5.748 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.267 -7.364 -8.884 1.00 0.00 H new ATOM 256 N GLY A 36 11.646 -2.731 -2.988 1.00 0.00 N ATOM 257 CA GLY A 36 11.134 -1.438 -2.511 1.00 0.00 C ATOM 258 C GLY A 36 12.215 -0.354 -2.474 1.00 0.00 C ATOM 259 O GLY A 36 12.851 -0.156 -1.437 1.00 0.00 O ATOM 0 H GLY A 36 12.639 -2.705 -3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.320 -1.112 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.716 -1.563 -1.512 1.00 0.00 H new ATOM 263 N LEU A 37 12.443 0.331 -3.602 1.00 0.00 N ATOM 264 CA LEU A 37 13.497 1.345 -3.777 1.00 0.00 C ATOM 265 C LEU A 37 12.940 2.614 -4.454 1.00 0.00 C ATOM 266 O LEU A 37 13.194 2.911 -5.624 1.00 0.00 O ATOM 267 CB LEU A 37 14.699 0.697 -4.499 1.00 0.00 C ATOM 268 CG LEU A 37 16.066 1.338 -4.184 1.00 0.00 C ATOM 269 CD1 LEU A 37 17.175 0.502 -4.827 1.00 0.00 C ATOM 270 CD2 LEU A 37 16.223 2.776 -4.684 1.00 0.00 C ATOM 0 H LEU A 37 11.884 0.193 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 37 13.863 1.695 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.739 -0.359 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.529 0.748 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 37 16.134 1.364 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.143 0.951 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.146 -0.511 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.027 0.470 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.213 3.147 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.104 2.800 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.464 3.407 -4.222 1.00 0.00 H new ATOM 282 N CYS A 38 12.152 3.370 -3.691 1.00 0.00 N ATOM 283 CA CYS A 38 11.541 4.640 -4.096 1.00 0.00 C ATOM 284 C CYS A 38 12.562 5.798 -4.041 1.00 0.00 C ATOM 285 O CYS A 38 12.818 6.359 -2.972 1.00 0.00 O ATOM 286 CB CYS A 38 10.319 4.916 -3.201 1.00 0.00 C ATOM 287 SG CYS A 38 9.109 3.565 -3.348 1.00 0.00 S ATOM 0 H CYS A 38 11.911 3.106 -2.736 1.00 0.00 H new ATOM 0 HA CYS A 38 11.212 4.567 -5.132 1.00 0.00 H new ATOM 0 HB2 CYS A 38 10.636 5.018 -2.163 1.00 0.00 H new ATOM 0 HB3 CYS A 38 9.856 5.860 -3.487 1.00 0.00 H new ATOM 0 HG CYS A 38 8.458 3.442 -2.230 1.00 0.00 H new ATOM 293 N LYS A 39 13.165 6.147 -5.189 1.00 0.00 N ATOM 294 CA LYS A 39 14.129 7.259 -5.333 1.00 0.00 C ATOM 295 C LYS A 39 13.516 8.625 -4.989 1.00 0.00 C ATOM 296 O LYS A 39 13.996 9.303 -4.079 1.00 0.00 O ATOM 297 CB LYS A 39 14.731 7.263 -6.753 1.00 0.00 C ATOM 298 CG LYS A 39 15.787 6.167 -6.983 1.00 0.00 C ATOM 299 CD LYS A 39 17.111 6.471 -6.262 1.00 0.00 C ATOM 300 CE LYS A 39 18.179 5.438 -6.638 1.00 0.00 C ATOM 301 NZ LYS A 39 19.480 5.738 -5.982 1.00 0.00 N ATOM 0 H LYS A 39 12.994 5.654 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 39 14.927 7.090 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.927 7.138 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.184 8.236 -6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.397 5.211 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.973 6.064 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.455 7.471 -6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.954 6.464 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.844 4.443 -6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.310 5.425 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.181 5.021 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.811 6.678 -6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.359 5.726 -4.949 1.00 0.00 H new ATOM 315 N ALA A 40 12.478 9.039 -5.720 1.00 0.00 N ATOM 316 CA ALA A 40 11.722 10.264 -5.442 1.00 0.00 C ATOM 317 C ALA A 40 10.789 10.112 -4.218 1.00 0.00 C ATOM 318 O ALA A 40 10.513 9.003 -3.752 1.00 0.00 O ATOM 319 CB ALA A 40 10.937 10.652 -6.705 1.00 0.00 C ATOM 0 H ALA A 40 12.134 8.527 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 40 12.421 11.060 -5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.369 11.562 -6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.632 10.823 -7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.253 9.846 -6.970 1.00 0.00 H new ATOM 325 N ARG A 41 10.249 11.237 -3.729 1.00 0.00 N ATOM 326 CA ARG A 41 9.306 11.326 -2.590 1.00 0.00 C ATOM 327 C ARG A 41 7.867 10.881 -2.917 1.00 0.00 C ATOM 328 O ARG A 41 6.982 10.965 -2.064 1.00 0.00 O ATOM 329 CB ARG A 41 9.340 12.764 -2.025 1.00 0.00 C ATOM 330 CG ARG A 41 10.717 13.209 -1.490 1.00 0.00 C ATOM 331 CD ARG A 41 11.178 12.383 -0.280 1.00 0.00 C ATOM 332 NE ARG A 41 12.482 12.845 0.235 1.00 0.00 N ATOM 333 CZ ARG A 41 13.109 12.405 1.313 1.00 0.00 C ATOM 334 NH1 ARG A 41 12.600 11.485 2.084 1.00 0.00 N ATOM 335 NH2 ARG A 41 14.275 12.884 1.643 1.00 0.00 N ATOM 0 H ARG A 41 10.462 12.151 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 41 9.643 10.614 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.028 13.456 -2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.609 12.842 -1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.457 13.123 -2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.671 14.261 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.431 12.449 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.250 11.333 -0.563 1.00 0.00 H new ATOM 0 HE ARG A 41 12.948 13.581 -0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.690 11.081 1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.112 11.169 2.908 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.712 13.605 1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.751 12.538 2.476 1.00 0.00 H new ATOM 349 N PHE A 42 7.618 10.418 -4.142 1.00 0.00 N ATOM 350 CA PHE A 42 6.304 10.072 -4.689 1.00 0.00 C ATOM 351 C PHE A 42 6.000 8.576 -4.490 1.00 0.00 C ATOM 352 O PHE A 42 6.330 7.734 -5.329 1.00 0.00 O ATOM 353 CB PHE A 42 6.232 10.512 -6.165 1.00 0.00 C ATOM 354 CG PHE A 42 6.821 11.885 -6.461 1.00 0.00 C ATOM 355 CD1 PHE A 42 6.499 12.998 -5.658 1.00 0.00 C ATOM 356 CD2 PHE A 42 7.742 12.036 -7.517 1.00 0.00 C ATOM 357 CE1 PHE A 42 7.111 14.242 -5.894 1.00 0.00 C ATOM 358 CE2 PHE A 42 8.352 13.280 -7.753 1.00 0.00 C ATOM 359 CZ PHE A 42 8.045 14.378 -6.935 1.00 0.00 C ATOM 0 H PHE A 42 8.368 10.266 -4.817 1.00 0.00 H new ATOM 0 HA PHE A 42 5.525 10.609 -4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.752 9.772 -6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.188 10.507 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.780 12.895 -4.859 1.00 0.00 H new ATOM 0 HD2 PHE A 42 7.980 11.192 -8.148 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.863 15.092 -5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.057 13.391 -8.564 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.527 15.329 -7.106 1.00 0.00 H new ATOM 369 N THR A 43 5.379 8.246 -3.358 1.00 0.00 N ATOM 370 CA THR A 43 5.004 6.873 -2.952 1.00 0.00 C ATOM 371 C THR A 43 3.497 6.769 -2.681 1.00 0.00 C ATOM 372 O THR A 43 2.847 7.777 -2.386 1.00 0.00 O ATOM 373 CB THR A 43 5.786 6.419 -1.699 1.00 0.00 C ATOM 374 OG1 THR A 43 7.100 6.948 -1.666 1.00 0.00 O ATOM 375 CG2 THR A 43 5.940 4.900 -1.657 1.00 0.00 C ATOM 0 H THR A 43 5.109 8.946 -2.667 1.00 0.00 H new ATOM 0 HA THR A 43 5.263 6.215 -3.781 1.00 0.00 H new ATOM 0 HB THR A 43 5.204 6.784 -0.852 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.558 6.637 -0.857 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.495 4.615 -0.763 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.954 4.435 -1.636 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.481 4.565 -2.542 1.00 0.00 H new ATOM 383 N ARG A 44 2.930 5.557 -2.768 1.00 0.00 N ATOM 384 CA ARG A 44 1.489 5.290 -2.600 1.00 0.00 C ATOM 385 C ARG A 44 1.236 4.068 -1.703 1.00 0.00 C ATOM 386 O ARG A 44 2.100 3.198 -1.561 1.00 0.00 O ATOM 387 CB ARG A 44 0.890 5.183 -4.016 1.00 0.00 C ATOM 388 CG ARG A 44 -0.642 5.284 -4.086 1.00 0.00 C ATOM 389 CD ARG A 44 -1.119 5.600 -5.513 1.00 0.00 C ATOM 390 NE ARG A 44 -0.815 6.986 -5.940 1.00 0.00 N ATOM 391 CZ ARG A 44 0.026 7.384 -6.883 1.00 0.00 C ATOM 392 NH1 ARG A 44 0.772 6.550 -7.550 1.00 0.00 N ATOM 393 NH2 ARG A 44 0.138 8.647 -7.180 1.00 0.00 N ATOM 0 H ARG A 44 3.471 4.714 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 44 0.988 6.099 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.319 5.971 -4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.196 4.232 -4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.086 4.346 -3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.988 6.061 -3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.651 4.902 -6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.195 5.436 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.315 7.725 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.721 5.550 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.407 6.897 -8.269 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.424 9.339 -6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.788 8.944 -7.908 1.00 0.00 H new ATOM 407 N TYR A 45 0.061 4.023 -1.074 1.00 0.00 N ATOM 408 CA TYR A 45 -0.256 3.115 0.036 1.00 0.00 C ATOM 409 C TYR A 45 -1.643 2.489 -0.163 1.00 0.00 C ATOM 410 O TYR A 45 -2.596 3.202 -0.485 1.00 0.00 O ATOM 411 CB TYR A 45 -0.199 3.892 1.366 1.00 0.00 C ATOM 412 CG TYR A 45 1.028 4.769 1.583 1.00 0.00 C ATOM 413 CD1 TYR A 45 2.310 4.191 1.681 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.890 6.168 1.701 1.00 0.00 C ATOM 415 CE1 TYR A 45 3.444 4.996 1.899 1.00 0.00 C ATOM 416 CE2 TYR A 45 2.022 6.979 1.911 1.00 0.00 C ATOM 417 CZ TYR A 45 3.303 6.395 2.015 1.00 0.00 C ATOM 418 OH TYR A 45 4.389 7.186 2.240 1.00 0.00 O ATOM 0 H TYR A 45 -0.718 4.631 -1.326 1.00 0.00 H new ATOM 0 HA TYR A 45 0.478 2.310 0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.086 4.522 1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.256 3.174 2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.423 3.121 1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.089 6.619 1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.421 4.543 1.977 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.910 8.050 1.993 1.00 0.00 H new ATOM 0 HH TYR A 45 4.106 8.123 2.291 1.00 0.00 H new ATOM 428 N TYR A 46 -1.770 1.172 0.031 1.00 0.00 N ATOM 429 CA TYR A 46 -2.988 0.408 -0.284 1.00 0.00 C ATOM 430 C TYR A 46 -3.350 -0.587 0.818 1.00 0.00 C ATOM 431 O TYR A 46 -2.489 -1.322 1.301 1.00 0.00 O ATOM 432 CB TYR A 46 -2.804 -0.366 -1.597 1.00 0.00 C ATOM 433 CG TYR A 46 -2.468 0.459 -2.826 1.00 0.00 C ATOM 434 CD1 TYR A 46 -3.222 1.604 -3.150 1.00 0.00 C ATOM 435 CD2 TYR A 46 -1.409 0.057 -3.662 1.00 0.00 C ATOM 436 CE1 TYR A 46 -2.915 2.346 -4.304 1.00 0.00 C ATOM 437 CE2 TYR A 46 -1.120 0.780 -4.833 1.00 0.00 C ATOM 438 CZ TYR A 46 -1.885 1.915 -5.164 1.00 0.00 C ATOM 439 OH TYR A 46 -1.652 2.581 -6.323 1.00 0.00 O ATOM 0 H TYR A 46 -1.021 0.596 0.416 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.797 1.133 -0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.012 -1.101 -1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.721 -0.920 -1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.037 1.912 -2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.817 -0.809 -3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.468 3.245 -4.531 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.313 0.465 -5.478 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.506 2.827 -6.736 1.00 0.00 H new ATOM 449 N CYS A 47 -4.625 -0.627 1.217 1.00 0.00 N ATOM 450 CA CYS A 47 -5.114 -1.622 2.170 1.00 0.00 C ATOM 451 C CYS A 47 -5.216 -3.016 1.530 1.00 0.00 C ATOM 452 O CYS A 47 -5.790 -3.167 0.448 1.00 0.00 O ATOM 453 CB CYS A 47 -6.464 -1.188 2.745 1.00 0.00 C ATOM 454 SG CYS A 47 -7.031 -2.307 4.054 1.00 0.00 S ATOM 0 H CYS A 47 -5.339 0.024 0.891 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.392 -1.689 2.984 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.381 -0.176 3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.206 -1.157 1.947 1.00 0.00 H new ATOM 459 N MET A 48 -4.689 -4.031 2.221 1.00 0.00 N ATOM 460 CA MET A 48 -4.916 -5.446 1.898 1.00 0.00 C ATOM 461 C MET A 48 -6.105 -5.985 2.717 1.00 0.00 C ATOM 462 O MET A 48 -7.254 -5.860 2.287 1.00 0.00 O ATOM 463 CB MET A 48 -3.616 -6.245 2.096 1.00 0.00 C ATOM 464 CG MET A 48 -2.585 -5.959 0.998 1.00 0.00 C ATOM 465 SD MET A 48 -2.993 -6.670 -0.621 1.00 0.00 S ATOM 466 CE MET A 48 -1.370 -6.570 -1.421 1.00 0.00 C ATOM 0 H MET A 48 -4.085 -3.893 3.031 1.00 0.00 H new ATOM 0 HA MET A 48 -5.188 -5.558 0.848 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.186 -6.001 3.067 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.845 -7.311 2.108 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.478 -4.880 0.890 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.617 -6.345 1.317 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.341 -7.250 -2.272 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.196 -5.551 -1.766 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.595 -6.849 -0.707 1.00 0.00 H new ATOM 476 N GLY A 49 -5.852 -6.541 3.910 1.00 0.00 N ATOM 477 CA GLY A 49 -6.875 -7.128 4.790 1.00 0.00 C ATOM 478 C GLY A 49 -7.368 -6.199 5.905 1.00 0.00 C ATOM 479 O GLY A 49 -8.557 -6.174 6.223 1.00 0.00 O ATOM 0 H GLY A 49 -4.911 -6.597 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.728 -7.429 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.470 -8.033 5.242 1.00 0.00 H new ATOM 483 N ASN A 50 -6.441 -5.457 6.517 1.00 0.00 N ATOM 484 CA ASN A 50 -6.670 -4.603 7.688 1.00 0.00 C ATOM 485 C ASN A 50 -5.783 -3.349 7.636 1.00 0.00 C ATOM 486 O ASN A 50 -6.291 -2.228 7.641 1.00 0.00 O ATOM 487 CB ASN A 50 -6.425 -5.453 8.953 1.00 0.00 C ATOM 488 CG ASN A 50 -6.587 -4.666 10.244 1.00 0.00 C ATOM 489 OD1 ASN A 50 -7.683 -4.444 10.732 1.00 0.00 O ATOM 490 ND2 ASN A 50 -5.505 -4.232 10.852 1.00 0.00 N ATOM 0 H ASN A 50 -5.472 -5.433 6.199 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.697 -4.238 7.702 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.119 -6.294 8.958 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.419 -5.870 8.913 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.585 -3.713 11.726 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.586 -4.414 10.449 1.00 0.00 H new ATOM 497 N CYS A 51 -4.463 -3.550 7.578 1.00 0.00 N ATOM 498 CA CYS A 51 -3.463 -2.488 7.413 1.00 0.00 C ATOM 499 C CYS A 51 -3.273 -2.094 5.934 1.00 0.00 C ATOM 500 O CYS A 51 -3.694 -2.819 5.025 1.00 0.00 O ATOM 501 CB CYS A 51 -2.138 -2.982 8.019 1.00 0.00 C ATOM 502 SG CYS A 51 -1.399 -4.407 7.165 1.00 0.00 S ATOM 0 H CYS A 51 -4.049 -4.480 7.646 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.808 -1.591 7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.422 -2.160 8.013 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.308 -3.249 9.062 1.00 0.00 H new ATOM 507 N CYS A 52 -2.561 -0.985 5.692 1.00 0.00 N ATOM 508 CA CYS A 52 -2.093 -0.573 4.368 1.00 0.00 C ATOM 509 C CYS A 52 -0.563 -0.434 4.292 1.00 0.00 C ATOM 510 O CYS A 52 0.019 0.511 4.833 1.00 0.00 O ATOM 511 CB CYS A 52 -2.839 0.673 3.860 1.00 0.00 C ATOM 512 SG CYS A 52 -3.051 2.119 4.927 1.00 0.00 S ATOM 0 H CYS A 52 -2.290 -0.336 6.431 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.342 -1.382 3.681 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.325 1.011 2.960 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.834 0.350 3.556 1.00 0.00 H new ATOM 517 N LYS A 53 0.091 -1.401 3.629 1.00 0.00 N ATOM 518 CA LYS A 53 1.535 -1.379 3.326 1.00 0.00 C ATOM 519 C LYS A 53 1.878 -0.380 2.201 1.00 0.00 C ATOM 520 O LYS A 53 1.000 0.252 1.604 1.00 0.00 O ATOM 521 CB LYS A 53 2.030 -2.804 2.979 1.00 0.00 C ATOM 522 CG LYS A 53 3.394 -3.114 3.623 1.00 0.00 C ATOM 523 CD LYS A 53 4.164 -4.252 2.936 1.00 0.00 C ATOM 524 CE LYS A 53 3.576 -5.649 3.184 1.00 0.00 C ATOM 525 NZ LYS A 53 4.539 -6.694 2.742 1.00 0.00 N ATOM 0 H LYS A 53 -0.377 -2.238 3.281 1.00 0.00 H new ATOM 0 HA LYS A 53 2.056 -1.035 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.295 -3.535 3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.108 -2.907 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.006 -2.212 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.239 -3.374 4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.186 -4.065 1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.197 -4.238 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.351 -5.775 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.636 -5.758 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.043 -7.602 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.952 -6.421 1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.296 -6.790 3.449 1.00 0.00 H new ATOM 539 N VAL A 54 3.172 -0.258 1.905 1.00 0.00 N ATOM 540 CA VAL A 54 3.740 0.514 0.791 1.00 0.00 C ATOM 541 C VAL A 54 3.852 -0.327 -0.488 1.00 0.00 C ATOM 542 O VAL A 54 4.312 -1.471 -0.446 1.00 0.00 O ATOM 543 CB VAL A 54 5.092 1.117 1.227 1.00 0.00 C ATOM 544 CG1 VAL A 54 6.213 0.100 1.488 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.583 2.142 0.212 1.00 0.00 C ATOM 0 H VAL A 54 3.892 -0.717 2.462 1.00 0.00 H new ATOM 0 HA VAL A 54 3.065 1.333 0.542 1.00 0.00 H new ATOM 0 HB VAL A 54 4.875 1.586 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.119 0.626 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.909 -0.581 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.408 -0.468 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.537 2.552 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.711 1.661 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.853 2.947 0.125 1.00 0.00 H new ATOM 555 N TYR A 55 3.432 0.238 -1.626 1.00 0.00 N ATOM 556 CA TYR A 55 3.484 -0.388 -2.956 1.00 0.00 C ATOM 557 C TYR A 55 3.963 0.619 -4.027 1.00 0.00 C ATOM 558 O TYR A 55 4.121 1.812 -3.753 1.00 0.00 O ATOM 559 CB TYR A 55 2.101 -0.986 -3.285 1.00 0.00 C ATOM 560 CG TYR A 55 1.597 -1.992 -2.258 1.00 0.00 C ATOM 561 CD1 TYR A 55 1.964 -3.349 -2.354 1.00 0.00 C ATOM 562 CD2 TYR A 55 0.805 -1.560 -1.176 1.00 0.00 C ATOM 563 CE1 TYR A 55 1.561 -4.264 -1.359 1.00 0.00 C ATOM 564 CE2 TYR A 55 0.391 -2.475 -0.191 1.00 0.00 C ATOM 565 CZ TYR A 55 0.778 -3.826 -0.272 1.00 0.00 C ATOM 566 OH TYR A 55 0.431 -4.688 0.720 1.00 0.00 O ATOM 0 H TYR A 55 3.032 1.176 -1.649 1.00 0.00 H new ATOM 0 HA TYR A 55 4.215 -1.197 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.377 -0.175 -3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.150 -1.472 -4.260 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.555 -3.689 -3.191 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.515 -0.522 -1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.853 -5.301 -1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.226 -2.140 0.630 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.108 -4.217 1.389 1.00 0.00 H new ATOM 576 N GLU A 56 4.212 0.149 -5.254 1.00 0.00 N ATOM 577 CA GLU A 56 4.781 0.942 -6.359 1.00 0.00 C ATOM 578 C GLU A 56 3.912 0.853 -7.628 1.00 0.00 C ATOM 579 O GLU A 56 3.866 -0.183 -8.298 1.00 0.00 O ATOM 580 CB GLU A 56 6.226 0.498 -6.658 1.00 0.00 C ATOM 581 CG GLU A 56 7.212 0.835 -5.531 1.00 0.00 C ATOM 582 CD GLU A 56 8.658 0.506 -5.951 1.00 0.00 C ATOM 583 OE1 GLU A 56 9.270 1.300 -6.707 1.00 0.00 O ATOM 584 OE2 GLU A 56 9.194 -0.548 -5.533 1.00 0.00 O ATOM 0 H GLU A 56 4.020 -0.818 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 56 4.795 1.985 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.239 -0.578 -6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.562 0.975 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.134 1.892 -5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.952 0.272 -4.634 1.00 0.00 H new ATOM 591 N GLY A 57 3.214 1.948 -7.956 1.00 0.00 N ATOM 592 CA GLY A 57 2.276 2.049 -9.084 1.00 0.00 C ATOM 593 C GLY A 57 0.894 1.442 -8.795 1.00 0.00 C ATOM 594 O GLY A 57 0.700 0.748 -7.794 1.00 0.00 O ATOM 0 H GLY A 57 3.288 2.817 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.153 3.099 -9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.709 1.549 -9.951 1.00 0.00 H new ATOM 598 N CYS A 58 -0.080 1.709 -9.673 1.00 0.00 N ATOM 599 CA CYS A 58 -1.466 1.255 -9.517 1.00 0.00 C ATOM 600 C CYS A 58 -1.598 -0.277 -9.427 1.00 0.00 C ATOM 601 O CYS A 58 -1.064 -1.027 -10.251 1.00 0.00 O ATOM 602 CB CYS A 58 -2.366 1.869 -10.602 1.00 0.00 C ATOM 603 SG CYS A 58 -1.686 1.657 -12.277 1.00 0.00 S ATOM 0 H CYS A 58 0.075 2.253 -10.522 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.817 1.621 -8.552 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.353 1.409 -10.554 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.499 2.932 -10.400 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.492 2.194 -13.144 1.00 0.00 H new ATOM 609 N TYR A 59 -2.323 -0.730 -8.400 1.00 0.00 N ATOM 610 CA TYR A 59 -2.492 -2.142 -8.038 1.00 0.00 C ATOM 611 C TYR A 59 -3.939 -2.498 -7.637 1.00 0.00 C ATOM 612 O TYR A 59 -4.451 -3.545 -8.039 1.00 0.00 O ATOM 613 CB TYR A 59 -1.490 -2.467 -6.916 1.00 0.00 C ATOM 614 CG TYR A 59 -1.628 -3.864 -6.350 1.00 0.00 C ATOM 615 CD1 TYR A 59 -1.354 -4.982 -7.163 1.00 0.00 C ATOM 616 CD2 TYR A 59 -2.081 -4.045 -5.029 1.00 0.00 C ATOM 617 CE1 TYR A 59 -1.563 -6.283 -6.668 1.00 0.00 C ATOM 618 CE2 TYR A 59 -2.315 -5.345 -4.541 1.00 0.00 C ATOM 619 CZ TYR A 59 -2.055 -6.469 -5.358 1.00 0.00 C ATOM 620 OH TYR A 59 -2.282 -7.727 -4.887 1.00 0.00 O ATOM 0 H TYR A 59 -2.827 -0.101 -7.775 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.289 -2.757 -8.915 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.478 -2.340 -7.300 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.618 -1.745 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.983 -4.840 -8.167 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.248 -3.189 -4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.347 -7.139 -7.290 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.694 -5.484 -3.539 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.619 -7.676 -3.968 1.00 0.00 H new ATOM 630 N THR A 60 -4.614 -1.623 -6.881 1.00 0.00 N ATOM 631 CA THR A 60 -6.009 -1.822 -6.415 1.00 0.00 C ATOM 632 C THR A 60 -6.843 -0.527 -6.344 1.00 0.00 C ATOM 633 O THR A 60 -8.072 -0.567 -6.439 1.00 0.00 O ATOM 634 CB THR A 60 -6.002 -2.563 -5.061 1.00 0.00 C ATOM 635 OG1 THR A 60 -7.296 -2.990 -4.687 1.00 0.00 O ATOM 636 CG2 THR A 60 -5.443 -1.729 -3.905 1.00 0.00 C ATOM 0 H THR A 60 -4.208 -0.742 -6.567 1.00 0.00 H new ATOM 0 HA THR A 60 -6.508 -2.432 -7.168 1.00 0.00 H new ATOM 0 HB THR A 60 -5.346 -3.417 -5.229 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.251 -3.456 -3.826 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.470 -2.316 -2.987 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.414 -1.446 -4.125 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.047 -0.830 -3.779 1.00 0.00 H new ATOM 644 N GLY A 61 -6.189 0.636 -6.243 1.00 0.00 N ATOM 645 CA GLY A 61 -6.806 1.964 -6.150 1.00 0.00 C ATOM 646 C GLY A 61 -5.784 3.090 -6.342 1.00 0.00 C ATOM 647 O GLY A 61 -4.694 2.866 -6.876 1.00 0.00 O ATOM 0 H GLY A 61 -5.170 0.679 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.589 2.053 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.286 2.073 -5.177 1.00 0.00 H new ATOM 651 N GLY A 62 -6.133 4.308 -5.916 1.00 0.00 N ATOM 652 CA GLY A 62 -5.297 5.506 -6.059 1.00 0.00 C ATOM 653 C GLY A 62 -5.563 6.577 -4.999 1.00 0.00 C ATOM 654 O GLY A 62 -5.920 7.708 -5.330 1.00 0.00 O ATOM 0 H GLY A 62 -7.023 4.493 -5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.248 5.213 -6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.462 5.937 -7.046 1.00 0.00 H new ATOM 658 N TYR A 63 -5.399 6.222 -3.722 1.00 0.00 N ATOM 659 CA TYR A 63 -5.721 7.095 -2.580 1.00 0.00 C ATOM 660 C TYR A 63 -4.764 8.285 -2.405 1.00 0.00 C ATOM 661 O TYR A 63 -5.162 9.340 -1.917 1.00 0.00 O ATOM 662 CB TYR A 63 -5.716 6.273 -1.282 1.00 0.00 C ATOM 663 CG TYR A 63 -6.687 5.108 -1.217 1.00 0.00 C ATOM 664 CD1 TYR A 63 -8.056 5.306 -1.488 1.00 0.00 C ATOM 665 CD2 TYR A 63 -6.226 3.832 -0.835 1.00 0.00 C ATOM 666 CE1 TYR A 63 -8.961 4.231 -1.388 1.00 0.00 C ATOM 667 CE2 TYR A 63 -7.130 2.759 -0.716 1.00 0.00 C ATOM 668 CZ TYR A 63 -8.501 2.955 -0.995 1.00 0.00 C ATOM 669 OH TYR A 63 -9.367 1.911 -0.885 1.00 0.00 O ATOM 0 H TYR A 63 -5.035 5.311 -3.444 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.707 7.508 -2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.709 5.887 -1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.932 6.945 -0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.412 6.285 -1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.176 3.677 -0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.007 4.383 -1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.775 1.786 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.878 1.109 -0.605 1.00 0.00 H new ATOM 679 N SER A 64 -3.487 8.103 -2.762 1.00 0.00 N ATOM 680 CA SER A 64 -2.329 8.996 -2.551 1.00 0.00 C ATOM 681 C SER A 64 -2.024 9.440 -1.102 1.00 0.00 C ATOM 682 O SER A 64 -1.001 10.089 -0.870 1.00 0.00 O ATOM 683 CB SER A 64 -2.385 10.184 -3.521 1.00 0.00 C ATOM 684 OG SER A 64 -3.304 11.184 -3.106 1.00 0.00 O ATOM 0 H SER A 64 -3.207 7.252 -3.250 1.00 0.00 H new ATOM 0 HA SER A 64 -1.469 8.365 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.391 10.623 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.665 9.827 -4.512 1.00 0.00 H new ATOM 0 HG SER A 64 -4.063 10.762 -2.652 1.00 0.00 H new ATOM 690 N ARG A 65 -2.850 9.061 -0.114 1.00 0.00 N ATOM 691 CA ARG A 65 -2.736 9.427 1.310 1.00 0.00 C ATOM 692 C ARG A 65 -2.853 8.215 2.228 1.00 0.00 C ATOM 693 O ARG A 65 -3.772 7.405 2.104 1.00 0.00 O ATOM 694 CB ARG A 65 -3.822 10.457 1.682 1.00 0.00 C ATOM 695 CG ARG A 65 -3.709 11.799 0.947 1.00 0.00 C ATOM 696 CD ARG A 65 -2.437 12.565 1.335 1.00 0.00 C ATOM 697 NE ARG A 65 -2.419 13.889 0.685 1.00 0.00 N ATOM 698 CZ ARG A 65 -1.662 14.931 0.980 1.00 0.00 C ATOM 699 NH1 ARG A 65 -0.760 14.889 1.921 1.00 0.00 N ATOM 700 NH2 ARG A 65 -1.801 16.048 0.327 1.00 0.00 N ATOM 0 H ARG A 65 -3.656 8.462 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.746 9.860 1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.801 10.025 1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.777 10.641 2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.712 11.624 -0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.583 12.410 1.173 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.391 12.683 2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.556 11.995 1.039 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.072 14.016 -0.088 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.621 14.032 2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.193 15.713 2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.496 16.121 -0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.215 16.850 0.558 1.00 0.00 H new ATOM 714 N MET A 66 -1.961 8.150 3.214 1.00 0.00 N ATOM 715 CA MET A 66 -1.955 7.125 4.263 1.00 0.00 C ATOM 716 C MET A 66 -3.209 7.176 5.157 1.00 0.00 C ATOM 717 O MET A 66 -3.720 6.140 5.577 1.00 0.00 O ATOM 718 CB MET A 66 -0.662 7.282 5.072 1.00 0.00 C ATOM 719 CG MET A 66 -0.464 6.123 6.059 1.00 0.00 C ATOM 720 SD MET A 66 1.204 5.985 6.760 1.00 0.00 S ATOM 721 CE MET A 66 2.014 5.073 5.419 1.00 0.00 C ATOM 0 H MET A 66 -1.202 8.824 3.311 1.00 0.00 H new ATOM 0 HA MET A 66 -1.985 6.139 3.799 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.189 7.330 4.392 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.687 8.225 5.618 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.176 6.236 6.876 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.707 5.189 5.552 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.083 5.004 5.620 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.592 4.070 5.354 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.855 5.595 4.476 1.00 0.00 H new ATOM 731 N GLY A 67 -3.763 8.373 5.390 1.00 0.00 N ATOM 732 CA GLY A 67 -5.019 8.548 6.132 1.00 0.00 C ATOM 733 C GLY A 67 -6.259 8.061 5.373 1.00 0.00 C ATOM 734 O GLY A 67 -7.273 7.739 5.992 1.00 0.00 O ATOM 0 H GLY A 67 -3.352 9.249 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.949 8.011 7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.144 9.604 6.373 1.00 0.00 H new ATOM 738 N GLU A 68 -6.201 7.981 4.039 1.00 0.00 N ATOM 739 CA GLU A 68 -7.279 7.434 3.208 1.00 0.00 C ATOM 740 C GLU A 68 -7.216 5.903 3.104 1.00 0.00 C ATOM 741 O GLU A 68 -8.255 5.252 3.231 1.00 0.00 O ATOM 742 CB GLU A 68 -7.303 8.103 1.826 1.00 0.00 C ATOM 743 CG GLU A 68 -7.895 9.518 1.920 1.00 0.00 C ATOM 744 CD GLU A 68 -8.048 10.190 0.541 1.00 0.00 C ATOM 745 OE1 GLU A 68 -8.760 9.638 -0.334 1.00 0.00 O ATOM 746 OE2 GLU A 68 -7.504 11.303 0.345 1.00 0.00 O ATOM 0 H GLU A 68 -5.395 8.298 3.500 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.221 7.667 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.292 8.152 1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.893 7.501 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.869 9.469 2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.255 10.134 2.551 1.00 0.00 H new ATOM 753 N CYS A 69 -6.028 5.300 2.960 1.00 0.00 N ATOM 754 CA CYS A 69 -5.902 3.834 2.996 1.00 0.00 C ATOM 755 C CYS A 69 -6.261 3.230 4.370 1.00 0.00 C ATOM 756 O CYS A 69 -6.688 2.077 4.445 1.00 0.00 O ATOM 757 CB CYS A 69 -4.515 3.397 2.502 1.00 0.00 C ATOM 758 SG CYS A 69 -3.069 3.651 3.573 1.00 0.00 S ATOM 0 H CYS A 69 -5.149 5.797 2.819 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.643 3.429 2.307 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.569 2.333 2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.323 3.917 1.563 1.00 0.00 H new ATOM 763 N ALA A 70 -6.158 4.024 5.441 1.00 0.00 N ATOM 764 CA ALA A 70 -6.627 3.711 6.784 1.00 0.00 C ATOM 765 C ALA A 70 -8.161 3.808 6.894 1.00 0.00 C ATOM 766 O ALA A 70 -8.802 2.805 7.195 1.00 0.00 O ATOM 767 CB ALA A 70 -5.917 4.644 7.773 1.00 0.00 C ATOM 0 H ALA A 70 -5.724 4.945 5.386 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.381 2.677 7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.255 4.425 8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.840 4.491 7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.151 5.680 7.528 1.00 0.00 H new ATOM 773 N ARG A 71 -8.773 4.980 6.642 1.00 0.00 N ATOM 774 CA ARG A 71 -10.222 5.212 6.871 1.00 0.00 C ATOM 775 C ARG A 71 -11.155 4.313 6.047 1.00 0.00 C ATOM 776 O ARG A 71 -12.262 4.008 6.492 1.00 0.00 O ATOM 777 CB ARG A 71 -10.577 6.703 6.697 1.00 0.00 C ATOM 778 CG ARG A 71 -10.714 7.137 5.226 1.00 0.00 C ATOM 779 CD ARG A 71 -10.835 8.655 5.043 1.00 0.00 C ATOM 780 NE ARG A 71 -9.615 9.364 5.474 1.00 0.00 N ATOM 781 CZ ARG A 71 -9.352 10.652 5.349 1.00 0.00 C ATOM 782 NH1 ARG A 71 -10.159 11.468 4.734 1.00 0.00 N ATOM 783 NH2 ARG A 71 -8.259 11.147 5.850 1.00 0.00 N ATOM 0 H ARG A 71 -8.283 5.795 6.274 1.00 0.00 H new ATOM 0 HA ARG A 71 -10.400 4.922 7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -11.513 6.908 7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.808 7.309 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.848 6.780 4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.592 6.656 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.033 8.879 3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.688 9.022 5.614 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.894 8.796 5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.027 11.118 4.329 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.923 12.457 4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.602 10.540 6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.058 12.142 5.752 1.00 0.00 H new ATOM 797 N ASN A 72 -10.712 3.870 4.866 1.00 0.00 N ATOM 798 CA ASN A 72 -11.424 2.897 4.026 1.00 0.00 C ATOM 799 C ASN A 72 -11.359 1.448 4.567 1.00 0.00 C ATOM 800 O ASN A 72 -12.053 0.573 4.044 1.00 0.00 O ATOM 801 CB ASN A 72 -10.881 2.986 2.586 1.00 0.00 C ATOM 802 CG ASN A 72 -11.422 4.200 1.848 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.540 4.207 1.353 1.00 0.00 O ATOM 804 ND2 ASN A 72 -10.661 5.264 1.752 1.00 0.00 N ATOM 0 H ASN A 72 -9.831 4.183 4.458 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.482 3.157 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.792 3.032 2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.149 2.081 2.041 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.003 6.093 1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.728 5.262 2.164 1.00 0.00 H new ATOM 811 N CYS A 73 -10.558 1.186 5.607 1.00 0.00 N ATOM 812 CA CYS A 73 -10.296 -0.142 6.172 1.00 0.00 C ATOM 813 C CYS A 73 -10.493 -0.230 7.708 1.00 0.00 C ATOM 814 O CYS A 73 -10.638 0.795 8.381 1.00 0.00 O ATOM 815 CB CYS A 73 -8.888 -0.556 5.715 1.00 0.00 C ATOM 816 SG CYS A 73 -8.957 -1.765 4.366 1.00 0.00 S ATOM 0 H CYS A 73 -10.054 1.925 6.098 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.039 -0.847 5.798 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.337 0.325 5.387 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.341 -0.980 6.557 1.00 0.00 H new ATOM 821 N PRO A 74 -10.529 -1.450 8.288 1.00 0.00 N ATOM 822 CA PRO A 74 -10.752 -1.650 9.726 1.00 0.00 C ATOM 823 C PRO A 74 -9.514 -1.384 10.612 1.00 0.00 C ATOM 824 O PRO A 74 -9.652 -1.332 11.839 1.00 0.00 O ATOM 825 CB PRO A 74 -11.237 -3.099 9.852 1.00 0.00 C ATOM 826 CG PRO A 74 -10.568 -3.808 8.680 1.00 0.00 C ATOM 827 CD PRO A 74 -10.528 -2.735 7.595 1.00 0.00 C ATOM 0 HA PRO A 74 -11.477 -0.925 10.095 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.944 -3.538 10.806 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.323 -3.164 9.792 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.568 -4.156 8.938 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.137 -4.681 8.361 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.638 -2.842 6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.389 -2.820 6.932 1.00 0.00 H new ATOM 835 N GLY A 75 -8.325 -1.196 10.019 1.00 0.00 N ATOM 836 CA GLY A 75 -7.051 -0.917 10.707 1.00 0.00 C ATOM 837 C GLY A 75 -6.774 0.576 10.894 1.00 0.00 C ATOM 838 O GLY A 75 -6.987 1.087 12.016 1.00 0.00 O ATOM 839 OXT GLY A 75 -6.318 1.220 9.923 1.00 0.00 O ATOM 0 H GLY A 75 -8.219 -1.235 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.060 -1.402 11.683 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.235 -1.362 10.138 1.00 0.00 H new