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 39 LYS NZ :NH3+ 147:sc= 0.315 (180deg=-0.0513) USER MOD Set 1.2: A 43 THR OG1 : rot 58:sc= 0.754 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 176:sc= -1.27 (180deg=-1.31) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 150:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0.122 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -160:sc=-0.00802 (180deg=-0.839) USER MOD Single : A 72 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLU A 23 3.442 -6.237 12.556 1.00 0.00 N ATOM 60 CA GLU A 23 3.265 -5.165 11.560 1.00 0.00 C ATOM 61 C GLU A 23 2.344 -5.614 10.407 1.00 0.00 C ATOM 62 O GLU A 23 2.035 -6.801 10.268 1.00 0.00 O ATOM 63 CB GLU A 23 4.641 -4.740 11.002 1.00 0.00 C ATOM 64 CG GLU A 23 5.549 -4.005 12.004 1.00 0.00 C ATOM 65 CD GLU A 23 4.992 -2.646 12.491 1.00 0.00 C ATOM 66 OE1 GLU A 23 4.102 -2.055 11.831 1.00 0.00 O ATOM 67 OE2 GLU A 23 5.486 -2.129 13.524 1.00 0.00 O ATOM 0 HA GLU A 23 2.792 -4.316 12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.162 -5.629 10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.483 -4.095 10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.712 -4.648 12.869 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.522 -3.841 11.541 1.00 0.00 H new ATOM 74 N CYS A 24 1.906 -4.672 9.565 1.00 0.00 N ATOM 75 CA CYS A 24 1.096 -4.962 8.378 1.00 0.00 C ATOM 76 C CYS A 24 1.925 -5.693 7.298 1.00 0.00 C ATOM 77 O CYS A 24 3.007 -5.233 6.925 1.00 0.00 O ATOM 78 CB CYS A 24 0.494 -3.655 7.839 1.00 0.00 C ATOM 79 SG CYS A 24 -1.023 -3.897 6.878 1.00 0.00 S ATOM 0 H CYS A 24 2.105 -3.679 9.689 1.00 0.00 H new ATOM 0 HA CYS A 24 0.283 -5.633 8.658 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.282 -2.990 8.676 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.234 -3.154 7.214 1.00 0.00 H new ATOM 84 N THR A 25 1.429 -6.827 6.792 1.00 0.00 N ATOM 85 CA THR A 25 2.105 -7.694 5.802 1.00 0.00 C ATOM 86 C THR A 25 1.150 -8.170 4.696 1.00 0.00 C ATOM 87 O THR A 25 -0.068 -7.986 4.779 1.00 0.00 O ATOM 88 CB THR A 25 2.761 -8.916 6.479 1.00 0.00 C ATOM 89 OG1 THR A 25 1.811 -9.646 7.230 1.00 0.00 O ATOM 90 CG2 THR A 25 3.912 -8.530 7.412 1.00 0.00 C ATOM 0 H THR A 25 0.514 -7.185 7.066 1.00 0.00 H new ATOM 0 HA THR A 25 2.880 -7.082 5.341 1.00 0.00 H new ATOM 0 HB THR A 25 3.160 -9.526 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.248 -10.417 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.335 -9.429 7.860 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.683 -8.011 6.843 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.538 -7.874 8.199 1.00 0.00 H new ATOM 98 N VAL A 26 1.698 -8.776 3.634 1.00 0.00 N ATOM 99 CA VAL A 26 0.920 -9.336 2.512 1.00 0.00 C ATOM 100 C VAL A 26 0.132 -10.582 2.979 1.00 0.00 C ATOM 101 O VAL A 26 0.712 -11.443 3.649 1.00 0.00 O ATOM 102 CB VAL A 26 1.819 -9.714 1.313 1.00 0.00 C ATOM 103 CG1 VAL A 26 1.007 -9.939 0.039 1.00 0.00 C ATOM 104 CG2 VAL A 26 2.866 -8.636 0.992 1.00 0.00 C ATOM 0 H VAL A 26 2.705 -8.894 3.525 1.00 0.00 H new ATOM 0 HA VAL A 26 0.228 -8.561 2.181 1.00 0.00 H new ATOM 0 HB VAL A 26 2.316 -10.634 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.678 -10.203 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.295 -10.749 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.467 -9.026 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.468 -8.956 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.362 -7.701 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.511 -8.486 1.858 1.00 0.00 H new ATOM 114 N PRO A 27 -1.165 -10.714 2.639 1.00 0.00 N ATOM 115 CA PRO A 27 -1.993 -11.869 2.991 1.00 0.00 C ATOM 116 C PRO A 27 -1.569 -13.147 2.246 1.00 0.00 C ATOM 117 O PRO A 27 -0.949 -13.100 1.179 1.00 0.00 O ATOM 118 CB PRO A 27 -3.430 -11.453 2.644 1.00 0.00 C ATOM 119 CG PRO A 27 -3.262 -10.407 1.542 1.00 0.00 C ATOM 120 CD PRO A 27 -1.940 -9.740 1.897 1.00 0.00 C ATOM 0 HA PRO A 27 -1.888 -12.123 4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.019 -12.303 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.945 -11.039 3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.230 -10.865 0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.085 -9.692 1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.410 -9.429 0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.107 -8.843 2.494 1.00 0.00 H new ATOM 128 N ILE A 28 -1.940 -14.309 2.795 1.00 0.00 N ATOM 129 CA ILE A 28 -1.674 -15.626 2.191 1.00 0.00 C ATOM 130 C ILE A 28 -2.417 -15.744 0.849 1.00 0.00 C ATOM 131 O ILE A 28 -3.585 -15.364 0.724 1.00 0.00 O ATOM 132 CB ILE A 28 -2.045 -16.775 3.162 1.00 0.00 C ATOM 133 CG1 ILE A 28 -1.237 -16.652 4.481 1.00 0.00 C ATOM 134 CG2 ILE A 28 -1.789 -18.152 2.515 1.00 0.00 C ATOM 135 CD1 ILE A 28 -1.636 -17.654 5.573 1.00 0.00 C ATOM 0 H ILE A 28 -2.440 -14.365 3.682 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.605 -15.716 1.996 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.108 -16.693 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.178 -16.783 4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.358 -15.642 4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.058 -18.940 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.394 -18.248 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.734 -18.242 2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.019 -17.494 6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.685 -17.511 5.832 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.488 -18.670 5.207 1.00 0.00 H new ATOM 147 N GLY A 29 -1.725 -16.271 -0.163 1.00 0.00 N ATOM 148 CA GLY A 29 -2.236 -16.494 -1.521 1.00 0.00 C ATOM 149 C GLY A 29 -2.139 -15.288 -2.470 1.00 0.00 C ATOM 150 O GLY A 29 -2.344 -15.460 -3.675 1.00 0.00 O ATOM 0 H GLY A 29 -0.755 -16.567 -0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.691 -17.327 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.281 -16.797 -1.452 1.00 0.00 H new ATOM 154 N TRP A 30 -1.815 -14.085 -1.978 1.00 0.00 N ATOM 155 CA TRP A 30 -1.544 -12.908 -2.811 1.00 0.00 C ATOM 156 C TRP A 30 -0.183 -12.986 -3.534 1.00 0.00 C ATOM 157 O TRP A 30 0.639 -13.866 -3.258 1.00 0.00 O ATOM 158 CB TRP A 30 -1.635 -11.656 -1.928 1.00 0.00 C ATOM 159 CG TRP A 30 -2.493 -10.559 -2.475 1.00 0.00 C ATOM 160 CD1 TRP A 30 -3.837 -10.613 -2.625 1.00 0.00 C ATOM 161 CD2 TRP A 30 -2.090 -9.239 -2.944 1.00 0.00 C ATOM 162 NE1 TRP A 30 -4.289 -9.424 -3.168 1.00 0.00 N ATOM 163 CE2 TRP A 30 -3.252 -8.541 -3.387 1.00 0.00 C ATOM 164 CE3 TRP A 30 -0.857 -8.562 -3.028 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -3.193 -7.236 -3.899 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -0.782 -7.254 -3.544 1.00 0.00 C ATOM 167 CH2 TRP A 30 -1.946 -6.590 -3.977 1.00 0.00 C ATOM 0 H TRP A 30 -1.733 -13.901 -0.978 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.292 -12.865 -3.602 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.021 -11.946 -0.951 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.629 -11.266 -1.771 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.460 -11.455 -2.361 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -5.267 -9.225 -3.380 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.044 -9.054 -2.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.091 -6.735 -4.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.175 -6.757 -3.608 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.881 -5.586 -4.369 1.00 0.00 H new ATOM 178 N SER A 31 0.077 -12.036 -4.437 1.00 0.00 N ATOM 179 CA SER A 31 1.333 -11.909 -5.194 1.00 0.00 C ATOM 180 C SER A 31 2.146 -10.714 -4.685 1.00 0.00 C ATOM 181 O SER A 31 1.947 -9.578 -5.114 1.00 0.00 O ATOM 182 CB SER A 31 1.035 -11.819 -6.694 1.00 0.00 C ATOM 183 OG SER A 31 2.228 -11.888 -7.461 1.00 0.00 O ATOM 0 H SER A 31 -0.600 -11.310 -4.671 1.00 0.00 H new ATOM 0 HA SER A 31 1.944 -12.798 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.366 -12.630 -6.984 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.515 -10.885 -6.909 1.00 0.00 H new ATOM 0 HG SER A 31 2.008 -11.830 -8.414 1.00 0.00 H new ATOM 189 N GLU A 32 3.033 -10.964 -3.719 1.00 0.00 N ATOM 190 CA GLU A 32 3.854 -9.947 -3.040 1.00 0.00 C ATOM 191 C GLU A 32 4.721 -9.106 -4.015 1.00 0.00 C ATOM 192 O GLU A 32 5.589 -9.664 -4.696 1.00 0.00 O ATOM 193 CB GLU A 32 4.664 -10.586 -1.892 1.00 0.00 C ATOM 194 CG GLU A 32 5.685 -11.688 -2.246 1.00 0.00 C ATOM 195 CD GLU A 32 7.104 -11.183 -2.601 1.00 0.00 C ATOM 196 OE1 GLU A 32 7.585 -10.192 -1.999 1.00 0.00 O ATOM 197 OE2 GLU A 32 7.785 -11.838 -3.429 1.00 0.00 O ATOM 0 H GLU A 32 3.208 -11.908 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 32 3.175 -9.220 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.200 -9.788 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.955 -11.005 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.762 -12.374 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.299 -12.261 -3.089 1.00 0.00 H new ATOM 204 N PRO A 33 4.491 -7.780 -4.145 1.00 0.00 N ATOM 205 CA PRO A 33 5.238 -6.917 -5.061 1.00 0.00 C ATOM 206 C PRO A 33 6.627 -6.556 -4.500 1.00 0.00 C ATOM 207 O PRO A 33 6.785 -5.601 -3.736 1.00 0.00 O ATOM 208 CB PRO A 33 4.339 -5.696 -5.285 1.00 0.00 C ATOM 209 CG PRO A 33 3.597 -5.568 -3.957 1.00 0.00 C ATOM 210 CD PRO A 33 3.422 -7.016 -3.506 1.00 0.00 C ATOM 0 HA PRO A 33 5.457 -7.412 -6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.921 -4.802 -5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.653 -5.848 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.168 -4.988 -3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.637 -5.067 -4.080 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.484 -7.095 -2.421 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.444 -7.398 -3.798 1.00 0.00 H new ATOM 218 N VAL A 34 7.654 -7.322 -4.884 1.00 0.00 N ATOM 219 CA VAL A 34 9.067 -7.068 -4.521 1.00 0.00 C ATOM 220 C VAL A 34 9.660 -5.837 -5.234 1.00 0.00 C ATOM 221 O VAL A 34 10.593 -5.209 -4.728 1.00 0.00 O ATOM 222 CB VAL A 34 9.912 -8.339 -4.762 1.00 0.00 C ATOM 223 CG1 VAL A 34 10.064 -8.697 -6.248 1.00 0.00 C ATOM 224 CG2 VAL A 34 11.304 -8.244 -4.127 1.00 0.00 C ATOM 0 H VAL A 34 7.533 -8.151 -5.465 1.00 0.00 H new ATOM 0 HA VAL A 34 9.095 -6.828 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 34 9.349 -9.136 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.668 -9.599 -6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.080 -8.871 -6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.552 -7.875 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.858 -9.162 -4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.841 -7.397 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 34 11.204 -8.106 -3.050 1.00 0.00 H new ATOM 234 N LYS A 35 9.102 -5.461 -6.393 1.00 0.00 N ATOM 235 CA LYS A 35 9.437 -4.243 -7.154 1.00 0.00 C ATOM 236 C LYS A 35 9.118 -2.966 -6.357 1.00 0.00 C ATOM 237 O LYS A 35 8.225 -2.952 -5.508 1.00 0.00 O ATOM 238 CB LYS A 35 8.658 -4.253 -8.484 1.00 0.00 C ATOM 239 CG LYS A 35 8.980 -5.409 -9.453 1.00 0.00 C ATOM 240 CD LYS A 35 10.349 -5.317 -10.154 1.00 0.00 C ATOM 241 CE LYS A 35 11.489 -5.958 -9.348 1.00 0.00 C ATOM 242 NZ LYS A 35 12.780 -5.876 -10.082 1.00 0.00 N ATOM 0 H LYS A 35 8.376 -6.017 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 35 10.509 -4.240 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.592 -4.283 -8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.847 -3.311 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.935 -6.348 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.202 -5.450 -10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.284 -5.803 -11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.587 -4.269 -10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.583 -5.457 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.250 -7.001 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.531 -6.317 -9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.695 -6.375 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.018 -4.879 -10.256 1.00 0.00 H new ATOM 256 N GLY A 36 9.826 -1.873 -6.660 1.00 0.00 N ATOM 257 CA GLY A 36 9.641 -0.572 -6.001 1.00 0.00 C ATOM 258 C GLY A 36 10.169 -0.506 -4.560 1.00 0.00 C ATOM 259 O GLY A 36 9.604 0.208 -3.731 1.00 0.00 O ATOM 0 H GLY A 36 10.552 -1.865 -7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.141 0.195 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.578 -0.329 -5.996 1.00 0.00 H new ATOM 263 N LEU A 37 11.237 -1.246 -4.240 1.00 0.00 N ATOM 264 CA LEU A 37 11.889 -1.298 -2.920 1.00 0.00 C ATOM 265 C LEU A 37 12.720 -0.023 -2.615 1.00 0.00 C ATOM 266 O LEU A 37 13.937 -0.070 -2.420 1.00 0.00 O ATOM 267 CB LEU A 37 12.721 -2.596 -2.856 1.00 0.00 C ATOM 268 CG LEU A 37 13.158 -3.010 -1.435 1.00 0.00 C ATOM 269 CD1 LEU A 37 11.993 -3.592 -0.630 1.00 0.00 C ATOM 270 CD2 LEU A 37 14.252 -4.077 -1.514 1.00 0.00 C ATOM 0 H LEU A 37 11.693 -1.853 -4.922 1.00 0.00 H new ATOM 0 HA LEU A 37 11.134 -1.317 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.139 -3.407 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.610 -2.473 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 37 13.524 -2.111 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.341 -3.871 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.203 -2.846 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.604 -4.474 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.554 -4.363 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.870 -4.952 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.112 -3.677 -2.051 1.00 0.00 H new ATOM 282 N CYS A 38 12.057 1.135 -2.600 1.00 0.00 N ATOM 283 CA CYS A 38 12.622 2.461 -2.314 1.00 0.00 C ATOM 284 C CYS A 38 11.596 3.414 -1.658 1.00 0.00 C ATOM 285 O CYS A 38 10.414 3.084 -1.529 1.00 0.00 O ATOM 286 CB CYS A 38 13.207 3.038 -3.618 1.00 0.00 C ATOM 287 SG CYS A 38 11.910 3.323 -4.863 1.00 0.00 S ATOM 0 H CYS A 38 11.057 1.178 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 38 13.420 2.356 -1.578 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.720 3.976 -3.404 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.953 2.351 -4.019 1.00 0.00 H new ATOM 0 HG CYS A 38 12.445 3.811 -5.943 1.00 0.00 H new ATOM 293 N LYS A 39 12.055 4.606 -1.241 1.00 0.00 N ATOM 294 CA LYS A 39 11.266 5.676 -0.594 1.00 0.00 C ATOM 295 C LYS A 39 11.567 7.045 -1.231 1.00 0.00 C ATOM 296 O LYS A 39 12.314 7.856 -0.676 1.00 0.00 O ATOM 297 CB LYS A 39 11.531 5.677 0.932 1.00 0.00 C ATOM 298 CG LYS A 39 10.875 4.515 1.704 1.00 0.00 C ATOM 299 CD LYS A 39 9.699 4.918 2.614 1.00 0.00 C ATOM 300 CE LYS A 39 8.410 5.291 1.863 1.00 0.00 C ATOM 301 NZ LYS A 39 8.374 6.712 1.420 1.00 0.00 N ATOM 0 H LYS A 39 13.035 4.866 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 39 10.205 5.480 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.608 5.644 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.173 6.619 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.522 3.775 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.636 4.029 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.483 4.094 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.005 5.765 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.306 4.644 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.553 5.098 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.852 6.783 0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.899 7.289 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.345 7.058 1.284 1.00 0.00 H new ATOM 315 N ALA A 40 10.983 7.309 -2.399 1.00 0.00 N ATOM 316 CA ALA A 40 10.965 8.648 -2.999 1.00 0.00 C ATOM 317 C ALA A 40 10.005 9.609 -2.260 1.00 0.00 C ATOM 318 O ALA A 40 9.298 9.228 -1.321 1.00 0.00 O ATOM 319 CB ALA A 40 10.600 8.531 -4.484 1.00 0.00 C ATOM 0 H ALA A 40 10.508 6.601 -2.959 1.00 0.00 H new ATOM 0 HA ALA A 40 11.961 9.080 -2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.585 9.524 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.339 7.913 -4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.615 8.074 -4.582 1.00 0.00 H new ATOM 325 N ARG A 41 9.949 10.865 -2.724 1.00 0.00 N ATOM 326 CA ARG A 41 8.988 11.903 -2.296 1.00 0.00 C ATOM 327 C ARG A 41 7.533 11.598 -2.706 1.00 0.00 C ATOM 328 O ARG A 41 6.601 12.236 -2.217 1.00 0.00 O ATOM 329 CB ARG A 41 9.420 13.266 -2.871 1.00 0.00 C ATOM 330 CG ARG A 41 10.733 13.832 -2.299 1.00 0.00 C ATOM 331 CD ARG A 41 12.035 13.348 -2.960 1.00 0.00 C ATOM 332 NE ARG A 41 12.618 12.170 -2.282 1.00 0.00 N ATOM 333 CZ ARG A 41 13.718 11.520 -2.623 1.00 0.00 C ATOM 334 NH1 ARG A 41 14.418 11.854 -3.670 1.00 0.00 N ATOM 335 NH2 ARG A 41 14.132 10.505 -1.923 1.00 0.00 N ATOM 0 H ARG A 41 10.596 11.204 -3.436 1.00 0.00 H new ATOM 0 HA ARG A 41 9.003 11.921 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.525 13.170 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.623 13.987 -2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.697 14.919 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.777 13.586 -1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.837 13.100 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.762 14.160 -2.957 1.00 0.00 H new ATOM 0 HE ARG A 41 12.118 11.822 -1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.122 12.637 -4.253 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.262 11.333 -3.907 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.607 10.203 -1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.982 10.011 -2.195 1.00 0.00 H new ATOM 349 N PHE A 42 7.346 10.614 -3.585 1.00 0.00 N ATOM 350 CA PHE A 42 6.093 10.130 -4.163 1.00 0.00 C ATOM 351 C PHE A 42 5.996 8.609 -3.941 1.00 0.00 C ATOM 352 O PHE A 42 6.707 7.829 -4.570 1.00 0.00 O ATOM 353 CB PHE A 42 6.006 10.552 -5.644 1.00 0.00 C ATOM 354 CG PHE A 42 7.261 10.332 -6.483 1.00 0.00 C ATOM 355 CD1 PHE A 42 8.266 11.319 -6.519 1.00 0.00 C ATOM 356 CD2 PHE A 42 7.429 9.149 -7.228 1.00 0.00 C ATOM 357 CE1 PHE A 42 9.436 11.116 -7.273 1.00 0.00 C ATOM 358 CE2 PHE A 42 8.598 8.945 -7.983 1.00 0.00 C ATOM 359 CZ PHE A 42 9.603 9.927 -8.003 1.00 0.00 C ATOM 0 H PHE A 42 8.142 10.087 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 42 5.230 10.578 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.184 10.006 -6.108 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.749 11.610 -5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.137 12.237 -5.964 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.656 8.394 -7.220 1.00 0.00 H new ATOM 0 HE1 PHE A 42 10.206 11.874 -7.291 1.00 0.00 H new ATOM 0 HE2 PHE A 42 8.723 8.033 -8.548 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.503 9.768 -8.579 1.00 0.00 H new ATOM 369 N THR A 43 5.150 8.201 -2.993 1.00 0.00 N ATOM 370 CA THR A 43 4.943 6.808 -2.538 1.00 0.00 C ATOM 371 C THR A 43 3.444 6.457 -2.556 1.00 0.00 C ATOM 372 O THR A 43 2.607 7.362 -2.494 1.00 0.00 O ATOM 373 CB THR A 43 5.501 6.644 -1.109 1.00 0.00 C ATOM 374 OG1 THR A 43 6.825 7.126 -0.983 1.00 0.00 O ATOM 375 CG2 THR A 43 5.576 5.194 -0.651 1.00 0.00 C ATOM 0 H THR A 43 4.556 8.861 -2.491 1.00 0.00 H new ATOM 0 HA THR A 43 5.468 6.133 -3.213 1.00 0.00 H new ATOM 0 HB THR A 43 4.797 7.215 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.856 8.070 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.977 5.153 0.362 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.578 4.756 -0.664 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.227 4.634 -1.322 1.00 0.00 H new ATOM 383 N ARG A 44 3.076 5.165 -2.604 1.00 0.00 N ATOM 384 CA ARG A 44 1.688 4.683 -2.435 1.00 0.00 C ATOM 385 C ARG A 44 1.500 3.846 -1.167 1.00 0.00 C ATOM 386 O ARG A 44 2.449 3.314 -0.594 1.00 0.00 O ATOM 387 CB ARG A 44 1.230 3.879 -3.664 1.00 0.00 C ATOM 388 CG ARG A 44 0.716 4.732 -4.822 1.00 0.00 C ATOM 389 CD ARG A 44 1.845 5.309 -5.681 1.00 0.00 C ATOM 390 NE ARG A 44 1.309 5.828 -6.948 1.00 0.00 N ATOM 391 CZ ARG A 44 1.925 6.596 -7.828 1.00 0.00 C ATOM 392 NH1 ARG A 44 3.160 6.982 -7.664 1.00 0.00 N ATOM 393 NH2 ARG A 44 1.307 6.988 -8.904 1.00 0.00 N ATOM 0 H ARG A 44 3.744 4.411 -2.764 1.00 0.00 H new ATOM 0 HA ARG A 44 1.068 5.573 -2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.064 3.273 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.442 3.190 -3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.061 4.128 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.113 5.549 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.352 6.107 -5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.589 4.538 -5.882 1.00 0.00 H new ATOM 0 HE ARG A 44 0.350 5.564 -7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.680 6.690 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.606 7.575 -8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.342 6.702 -9.071 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.787 7.581 -9.581 1.00 0.00 H new ATOM 407 N TYR A 45 0.239 3.701 -0.764 1.00 0.00 N ATOM 408 CA TYR A 45 -0.183 2.959 0.429 1.00 0.00 C ATOM 409 C TYR A 45 -1.555 2.303 0.185 1.00 0.00 C ATOM 410 O TYR A 45 -2.490 2.981 -0.243 1.00 0.00 O ATOM 411 CB TYR A 45 -0.214 3.903 1.650 1.00 0.00 C ATOM 412 CG TYR A 45 1.064 4.694 1.903 1.00 0.00 C ATOM 413 CD1 TYR A 45 2.137 4.105 2.601 1.00 0.00 C ATOM 414 CD2 TYR A 45 1.190 6.012 1.419 1.00 0.00 C ATOM 415 CE1 TYR A 45 3.337 4.818 2.789 1.00 0.00 C ATOM 416 CE2 TYR A 45 2.392 6.727 1.598 1.00 0.00 C ATOM 417 CZ TYR A 45 3.473 6.126 2.280 1.00 0.00 C ATOM 418 OH TYR A 45 4.643 6.802 2.457 1.00 0.00 O ATOM 0 H TYR A 45 -0.545 4.109 -1.274 1.00 0.00 H new ATOM 0 HA TYR A 45 0.533 2.164 0.637 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.036 4.607 1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.436 3.312 2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.039 3.103 2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.360 6.477 0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.156 4.361 3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.486 7.732 1.214 1.00 0.00 H new ATOM 0 HH TYR A 45 4.574 7.689 2.046 1.00 0.00 H new ATOM 428 N TYR A 46 -1.684 0.993 0.427 1.00 0.00 N ATOM 429 CA TYR A 46 -2.896 0.199 0.140 1.00 0.00 C ATOM 430 C TYR A 46 -3.295 -0.678 1.333 1.00 0.00 C ATOM 431 O TYR A 46 -2.434 -1.286 1.975 1.00 0.00 O ATOM 432 CB TYR A 46 -2.690 -0.694 -1.096 1.00 0.00 C ATOM 433 CG TYR A 46 -2.737 0.011 -2.442 1.00 0.00 C ATOM 434 CD1 TYR A 46 -1.611 0.702 -2.932 1.00 0.00 C ATOM 435 CD2 TYR A 46 -3.903 -0.072 -3.230 1.00 0.00 C ATOM 436 CE1 TYR A 46 -1.659 1.331 -4.192 1.00 0.00 C ATOM 437 CE2 TYR A 46 -3.948 0.546 -4.493 1.00 0.00 C ATOM 438 CZ TYR A 46 -2.836 1.269 -4.969 1.00 0.00 C ATOM 439 OH TYR A 46 -2.908 1.914 -6.165 1.00 0.00 O ATOM 0 H TYR A 46 -0.933 0.438 0.838 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.699 0.910 -0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.725 -1.193 -1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.453 -1.472 -1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.709 0.750 -2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.764 -0.611 -2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.795 1.861 -4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.838 0.466 -5.100 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.790 1.763 -6.565 1.00 0.00 H new ATOM 449 N CYS A 47 -4.599 -0.744 1.632 1.00 0.00 N ATOM 450 CA CYS A 47 -5.157 -1.573 2.706 1.00 0.00 C ATOM 451 C CYS A 47 -5.292 -3.044 2.280 1.00 0.00 C ATOM 452 O CYS A 47 -6.047 -3.372 1.362 1.00 0.00 O ATOM 453 CB CYS A 47 -6.485 -0.999 3.218 1.00 0.00 C ATOM 454 SG CYS A 47 -7.063 -1.859 4.709 1.00 0.00 S ATOM 0 H CYS A 47 -5.307 -0.213 1.125 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.452 -1.551 3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.362 0.062 3.435 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.241 -1.079 2.437 1.00 0.00 H new ATOM 459 N MET A 48 -4.546 -3.926 2.950 1.00 0.00 N ATOM 460 CA MET A 48 -4.487 -5.368 2.662 1.00 0.00 C ATOM 461 C MET A 48 -5.521 -6.210 3.435 1.00 0.00 C ATOM 462 O MET A 48 -5.718 -7.384 3.116 1.00 0.00 O ATOM 463 CB MET A 48 -3.067 -5.880 2.948 1.00 0.00 C ATOM 464 CG MET A 48 -1.995 -5.181 2.099 1.00 0.00 C ATOM 465 SD MET A 48 -2.257 -5.204 0.298 1.00 0.00 S ATOM 466 CE MET A 48 -1.991 -6.961 -0.060 1.00 0.00 C ATOM 0 H MET A 48 -3.948 -3.653 3.730 1.00 0.00 H new ATOM 0 HA MET A 48 -4.741 -5.488 1.609 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.839 -5.733 4.004 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.029 -6.953 2.760 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.925 -4.142 2.422 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.032 -5.646 2.311 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.186 -7.151 -1.115 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.960 -7.228 0.172 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.667 -7.563 0.548 1.00 0.00 H new ATOM 476 N GLY A 49 -6.199 -5.626 4.428 1.00 0.00 N ATOM 477 CA GLY A 49 -7.267 -6.274 5.201 1.00 0.00 C ATOM 478 C GLY A 49 -7.785 -5.372 6.320 1.00 0.00 C ATOM 479 O GLY A 49 -8.724 -4.603 6.114 1.00 0.00 O ATOM 0 H GLY A 49 -6.017 -4.667 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.089 -6.536 4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.893 -7.205 5.628 1.00 0.00 H new ATOM 483 N ASN A 50 -7.152 -5.435 7.497 1.00 0.00 N ATOM 484 CA ASN A 50 -7.409 -4.500 8.602 1.00 0.00 C ATOM 485 C ASN A 50 -6.563 -3.214 8.508 1.00 0.00 C ATOM 486 O ASN A 50 -7.010 -2.149 8.932 1.00 0.00 O ATOM 487 CB ASN A 50 -7.148 -5.211 9.943 1.00 0.00 C ATOM 488 CG ASN A 50 -8.140 -6.331 10.216 1.00 0.00 C ATOM 489 OD1 ASN A 50 -9.347 -6.138 10.233 1.00 0.00 O ATOM 490 ND2 ASN A 50 -7.671 -7.537 10.453 1.00 0.00 N ATOM 0 H ASN A 50 -6.445 -6.138 7.712 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.452 -4.192 8.534 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.137 -5.619 9.943 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.198 -4.482 10.752 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.313 -8.305 10.649 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.665 -7.705 10.440 1.00 0.00 H new ATOM 497 N CYS A 51 -5.352 -3.316 7.954 1.00 0.00 N ATOM 498 CA CYS A 51 -4.310 -2.285 7.928 1.00 0.00 C ATOM 499 C CYS A 51 -3.824 -2.003 6.498 1.00 0.00 C ATOM 500 O CYS A 51 -4.050 -2.812 5.591 1.00 0.00 O ATOM 501 CB CYS A 51 -3.151 -2.776 8.814 1.00 0.00 C ATOM 502 SG CYS A 51 -2.407 -4.363 8.310 1.00 0.00 S ATOM 0 H CYS A 51 -5.055 -4.171 7.484 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.712 -1.345 8.306 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.372 -2.014 8.821 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.513 -2.871 9.838 1.00 0.00 H new ATOM 507 N CYS A 52 -3.089 -0.902 6.307 1.00 0.00 N ATOM 508 CA CYS A 52 -2.345 -0.634 5.075 1.00 0.00 C ATOM 509 C CYS A 52 -0.822 -0.629 5.263 1.00 0.00 C ATOM 510 O CYS A 52 -0.301 -0.344 6.346 1.00 0.00 O ATOM 511 CB CYS A 52 -2.860 0.634 4.369 1.00 0.00 C ATOM 512 SG CYS A 52 -3.031 2.190 5.268 1.00 0.00 S ATOM 0 H CYS A 52 -2.994 -0.168 7.009 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.541 -1.477 4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.195 0.823 3.526 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.840 0.394 3.955 1.00 0.00 H new ATOM 517 N LYS A 53 -0.119 -0.947 4.168 1.00 0.00 N ATOM 518 CA LYS A 53 1.349 -0.995 4.051 1.00 0.00 C ATOM 519 C LYS A 53 1.827 -0.092 2.906 1.00 0.00 C ATOM 520 O LYS A 53 1.029 0.318 2.061 1.00 0.00 O ATOM 521 CB LYS A 53 1.784 -2.459 3.824 1.00 0.00 C ATOM 522 CG LYS A 53 3.180 -2.780 4.385 1.00 0.00 C ATOM 523 CD LYS A 53 3.798 -4.031 3.742 1.00 0.00 C ATOM 524 CE LYS A 53 4.336 -3.719 2.336 1.00 0.00 C ATOM 525 NZ LYS A 53 5.172 -4.824 1.801 1.00 0.00 N ATOM 0 H LYS A 53 -0.581 -1.191 3.292 1.00 0.00 H new ATOM 0 HA LYS A 53 1.804 -0.626 4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.054 -3.122 4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.774 -2.671 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.839 -1.928 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.110 -2.926 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.607 -4.405 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.049 -4.821 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.500 -3.537 1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.925 -2.802 2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.514 -4.572 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.984 -4.981 2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.604 -5.693 1.745 1.00 0.00 H new ATOM 539 N VAL A 54 3.129 0.197 2.863 1.00 0.00 N ATOM 540 CA VAL A 54 3.787 0.896 1.746 1.00 0.00 C ATOM 541 C VAL A 54 3.853 0.018 0.491 1.00 0.00 C ATOM 542 O VAL A 54 4.202 -1.161 0.568 1.00 0.00 O ATOM 543 CB VAL A 54 5.180 1.403 2.171 1.00 0.00 C ATOM 544 CG1 VAL A 54 6.276 0.333 2.256 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.673 2.484 1.216 1.00 0.00 C ATOM 0 H VAL A 54 3.772 -0.051 3.615 1.00 0.00 H new ATOM 0 HA VAL A 54 3.183 1.765 1.486 1.00 0.00 H new ATOM 0 HB VAL A 54 5.020 1.781 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.214 0.796 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.989 -0.424 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.405 -0.134 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.657 2.828 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.739 2.076 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.976 3.322 1.223 1.00 0.00 H new ATOM 555 N TYR A 55 3.537 0.607 -0.663 1.00 0.00 N ATOM 556 CA TYR A 55 3.641 0.008 -1.997 1.00 0.00 C ATOM 557 C TYR A 55 4.066 1.066 -3.032 1.00 0.00 C ATOM 558 O TYR A 55 4.224 2.247 -2.713 1.00 0.00 O ATOM 559 CB TYR A 55 2.302 -0.661 -2.372 1.00 0.00 C ATOM 560 CG TYR A 55 1.936 -1.840 -1.485 1.00 0.00 C ATOM 561 CD1 TYR A 55 2.634 -3.054 -1.624 1.00 0.00 C ATOM 562 CD2 TYR A 55 0.951 -1.711 -0.486 1.00 0.00 C ATOM 563 CE1 TYR A 55 2.360 -4.136 -0.765 1.00 0.00 C ATOM 564 CE2 TYR A 55 0.667 -2.792 0.371 1.00 0.00 C ATOM 565 CZ TYR A 55 1.381 -4.001 0.241 1.00 0.00 C ATOM 566 OH TYR A 55 1.173 -5.013 1.125 1.00 0.00 O ATOM 0 H TYR A 55 3.184 1.563 -0.696 1.00 0.00 H new ATOM 0 HA TYR A 55 4.412 -0.762 -1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.507 0.083 -2.318 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.353 -0.999 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.384 -3.157 -2.394 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.413 -0.781 -0.377 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.898 -5.066 -0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.098 -2.695 1.128 1.00 0.00 H new ATOM 0 HH TYR A 55 0.870 -4.643 1.980 1.00 0.00 H new ATOM 576 N GLU A 56 4.255 0.656 -4.287 1.00 0.00 N ATOM 577 CA GLU A 56 4.571 1.554 -5.405 1.00 0.00 C ATOM 578 C GLU A 56 3.767 1.218 -6.669 1.00 0.00 C ATOM 579 O GLU A 56 3.299 0.090 -6.855 1.00 0.00 O ATOM 580 CB GLU A 56 6.084 1.525 -5.695 1.00 0.00 C ATOM 581 CG GLU A 56 6.945 2.267 -4.658 1.00 0.00 C ATOM 582 CD GLU A 56 6.810 3.808 -4.713 1.00 0.00 C ATOM 583 OE1 GLU A 56 5.848 4.342 -5.322 1.00 0.00 O ATOM 584 OE2 GLU A 56 7.699 4.493 -4.156 1.00 0.00 O ATOM 0 H GLU A 56 4.192 -0.324 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 56 4.282 2.562 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.412 0.487 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.262 1.963 -6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.670 1.924 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.990 1.999 -4.810 1.00 0.00 H new ATOM 591 N GLY A 57 3.614 2.218 -7.545 1.00 0.00 N ATOM 592 CA GLY A 57 2.722 2.179 -8.707 1.00 0.00 C ATOM 593 C GLY A 57 1.227 2.173 -8.347 1.00 0.00 C ATOM 594 O GLY A 57 0.834 2.128 -7.177 1.00 0.00 O ATOM 0 H GLY A 57 4.121 3.099 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.929 3.041 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.947 1.290 -9.296 1.00 0.00 H new ATOM 598 N CYS A 58 0.376 2.223 -9.372 1.00 0.00 N ATOM 599 CA CYS A 58 -1.082 2.164 -9.245 1.00 0.00 C ATOM 600 C CYS A 58 -1.572 0.707 -9.358 1.00 0.00 C ATOM 601 O CYS A 58 -1.925 0.246 -10.447 1.00 0.00 O ATOM 602 CB CYS A 58 -1.717 3.093 -10.293 1.00 0.00 C ATOM 603 SG CYS A 58 -1.239 4.817 -9.958 1.00 0.00 S ATOM 0 H CYS A 58 0.689 2.308 -10.339 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.391 2.516 -8.261 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.393 2.804 -11.293 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.802 2.996 -10.269 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.777 5.597 -10.848 1.00 0.00 H new ATOM 609 N TYR A 59 -1.570 -0.034 -8.244 1.00 0.00 N ATOM 610 CA TYR A 59 -1.975 -1.446 -8.169 1.00 0.00 C ATOM 611 C TYR A 59 -3.498 -1.603 -8.367 1.00 0.00 C ATOM 612 O TYR A 59 -4.272 -1.615 -7.408 1.00 0.00 O ATOM 613 CB TYR A 59 -1.465 -2.070 -6.852 1.00 0.00 C ATOM 614 CG TYR A 59 -1.227 -3.573 -6.918 1.00 0.00 C ATOM 615 CD1 TYR A 59 -2.266 -4.461 -7.273 1.00 0.00 C ATOM 616 CD2 TYR A 59 0.058 -4.087 -6.644 1.00 0.00 C ATOM 617 CE1 TYR A 59 -2.015 -5.841 -7.391 1.00 0.00 C ATOM 618 CE2 TYR A 59 0.309 -5.468 -6.745 1.00 0.00 C ATOM 619 CZ TYR A 59 -0.723 -6.351 -7.133 1.00 0.00 C ATOM 620 OH TYR A 59 -0.468 -7.682 -7.265 1.00 0.00 O ATOM 0 H TYR A 59 -1.278 0.342 -7.342 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.512 -1.998 -8.987 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.534 -1.579 -6.568 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.188 -1.863 -6.063 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.260 -4.079 -7.455 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.854 -3.417 -6.355 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.811 -6.511 -7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.293 -5.854 -6.525 1.00 0.00 H new ATOM 0 HH TYR A 59 0.472 -7.858 -7.050 1.00 0.00 H new ATOM 630 N THR A 60 -3.941 -1.667 -9.629 1.00 0.00 N ATOM 631 CA THR A 60 -5.359 -1.709 -10.069 1.00 0.00 C ATOM 632 C THR A 60 -6.180 -0.456 -9.672 1.00 0.00 C ATOM 633 O THR A 60 -7.391 -0.384 -9.890 1.00 0.00 O ATOM 634 CB THR A 60 -6.037 -3.033 -9.635 1.00 0.00 C ATOM 635 OG1 THR A 60 -5.138 -4.128 -9.712 1.00 0.00 O ATOM 636 CG2 THR A 60 -7.213 -3.427 -10.530 1.00 0.00 C ATOM 0 H THR A 60 -3.295 -1.693 -10.418 1.00 0.00 H new ATOM 0 HA THR A 60 -5.342 -1.686 -11.159 1.00 0.00 H new ATOM 0 HB THR A 60 -6.372 -2.839 -8.616 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.596 -4.947 -9.430 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.644 -4.362 -10.173 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.971 -2.644 -10.501 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.863 -3.556 -11.554 1.00 0.00 H new ATOM 644 N GLY A 61 -5.516 0.566 -9.124 1.00 0.00 N ATOM 645 CA GLY A 61 -6.086 1.795 -8.563 1.00 0.00 C ATOM 646 C GLY A 61 -6.553 1.639 -7.107 1.00 0.00 C ATOM 647 O GLY A 61 -6.996 0.566 -6.685 1.00 0.00 O ATOM 0 H GLY A 61 -4.498 0.556 -9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.342 2.589 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.931 2.109 -9.177 1.00 0.00 H new ATOM 651 N GLY A 62 -6.485 2.728 -6.337 1.00 0.00 N ATOM 652 CA GLY A 62 -6.895 2.777 -4.929 1.00 0.00 C ATOM 653 C GLY A 62 -6.635 4.141 -4.291 1.00 0.00 C ATOM 654 O GLY A 62 -7.488 5.027 -4.368 1.00 0.00 O ATOM 0 H GLY A 62 -6.135 3.622 -6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.957 2.541 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.358 2.010 -4.371 1.00 0.00 H new ATOM 658 N TYR A 63 -5.456 4.316 -3.683 1.00 0.00 N ATOM 659 CA TYR A 63 -5.088 5.516 -2.915 1.00 0.00 C ATOM 660 C TYR A 63 -3.670 6.026 -3.231 1.00 0.00 C ATOM 661 O TYR A 63 -2.787 5.265 -3.636 1.00 0.00 O ATOM 662 CB TYR A 63 -5.207 5.224 -1.406 1.00 0.00 C ATOM 663 CG TYR A 63 -6.492 4.541 -0.971 1.00 0.00 C ATOM 664 CD1 TYR A 63 -7.719 5.230 -1.045 1.00 0.00 C ATOM 665 CD2 TYR A 63 -6.464 3.204 -0.527 1.00 0.00 C ATOM 666 CE1 TYR A 63 -8.916 4.581 -0.688 1.00 0.00 C ATOM 667 CE2 TYR A 63 -7.660 2.550 -0.169 1.00 0.00 C ATOM 668 CZ TYR A 63 -8.891 3.237 -0.258 1.00 0.00 C ATOM 669 OH TYR A 63 -10.057 2.605 0.050 1.00 0.00 O ATOM 0 H TYR A 63 -4.715 3.615 -3.710 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.782 6.303 -3.209 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.365 4.600 -1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.115 6.165 -0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.741 6.258 -1.376 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.523 2.679 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.855 5.112 -0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.635 1.526 0.173 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.867 1.685 0.328 1.00 0.00 H new ATOM 679 N SER A 64 -3.445 7.317 -2.956 1.00 0.00 N ATOM 680 CA SER A 64 -2.163 8.034 -3.124 1.00 0.00 C ATOM 681 C SER A 64 -1.663 8.691 -1.823 1.00 0.00 C ATOM 682 O SER A 64 -0.661 9.409 -1.831 1.00 0.00 O ATOM 683 CB SER A 64 -2.291 9.082 -4.241 1.00 0.00 C ATOM 684 OG SER A 64 -2.674 8.473 -5.467 1.00 0.00 O ATOM 0 H SER A 64 -4.181 7.923 -2.594 1.00 0.00 H new ATOM 0 HA SER A 64 -1.416 7.290 -3.400 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.028 9.833 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.341 9.601 -4.369 1.00 0.00 H new ATOM 0 HG SER A 64 -2.751 9.159 -6.163 1.00 0.00 H new ATOM 690 N ARG A 65 -2.354 8.454 -0.695 1.00 0.00 N ATOM 691 CA ARG A 65 -2.061 8.979 0.651 1.00 0.00 C ATOM 692 C ARG A 65 -2.255 7.897 1.716 1.00 0.00 C ATOM 693 O ARG A 65 -3.252 7.174 1.702 1.00 0.00 O ATOM 694 CB ARG A 65 -3.001 10.165 0.960 1.00 0.00 C ATOM 695 CG ARG A 65 -2.682 11.476 0.226 1.00 0.00 C ATOM 696 CD ARG A 65 -1.398 12.136 0.751 1.00 0.00 C ATOM 697 NE ARG A 65 -1.252 13.519 0.251 1.00 0.00 N ATOM 698 CZ ARG A 65 -1.809 14.620 0.732 1.00 0.00 C ATOM 699 NH1 ARG A 65 -2.609 14.606 1.761 1.00 0.00 N ATOM 700 NH2 ARG A 65 -1.574 15.775 0.178 1.00 0.00 N ATOM 0 H ARG A 65 -3.180 7.856 -0.698 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.022 9.307 0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.021 9.870 0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.975 10.355 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.577 11.277 -0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.517 12.167 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.411 12.142 1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.534 11.545 0.446 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.649 13.640 -0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.826 13.725 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.018 15.476 2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.957 15.836 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.007 16.619 0.554 1.00 0.00 H new ATOM 714 N MET A 66 -1.351 7.857 2.693 1.00 0.00 N ATOM 715 CA MET A 66 -1.441 7.000 3.885 1.00 0.00 C ATOM 716 C MET A 66 -2.714 7.284 4.711 1.00 0.00 C ATOM 717 O MET A 66 -3.342 6.366 5.238 1.00 0.00 O ATOM 718 CB MET A 66 -0.156 7.202 4.708 1.00 0.00 C ATOM 719 CG MET A 66 -0.101 6.377 6.001 1.00 0.00 C ATOM 720 SD MET A 66 -0.007 4.578 5.775 1.00 0.00 S ATOM 721 CE MET A 66 1.775 4.332 5.998 1.00 0.00 C ATOM 0 H MET A 66 -0.510 8.434 2.682 1.00 0.00 H new ATOM 0 HA MET A 66 -1.524 5.956 3.583 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.703 6.944 4.089 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.061 8.258 4.960 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.764 6.699 6.580 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.986 6.606 6.595 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.069 3.380 5.555 1.00 0.00 H new ATOM 0 HE2 MET A 66 2.318 5.142 5.511 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.011 4.326 7.062 1.00 0.00 H new ATOM 731 N GLY A 67 -3.148 8.548 4.777 1.00 0.00 N ATOM 732 CA GLY A 67 -4.369 8.950 5.491 1.00 0.00 C ATOM 733 C GLY A 67 -5.668 8.426 4.868 1.00 0.00 C ATOM 734 O GLY A 67 -6.668 8.276 5.573 1.00 0.00 O ATOM 0 H GLY A 67 -2.660 9.327 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.306 8.598 6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.412 10.039 5.529 1.00 0.00 H new ATOM 738 N GLU A 68 -5.679 8.128 3.565 1.00 0.00 N ATOM 739 CA GLU A 68 -6.829 7.539 2.867 1.00 0.00 C ATOM 740 C GLU A 68 -6.920 6.023 3.089 1.00 0.00 C ATOM 741 O GLU A 68 -7.995 5.520 3.422 1.00 0.00 O ATOM 742 CB GLU A 68 -6.774 7.854 1.364 1.00 0.00 C ATOM 743 CG GLU A 68 -6.988 9.341 1.040 1.00 0.00 C ATOM 744 CD GLU A 68 -8.370 9.871 1.477 1.00 0.00 C ATOM 745 OE1 GLU A 68 -9.395 9.179 1.266 1.00 0.00 O ATOM 746 OE2 GLU A 68 -8.437 10.998 2.022 1.00 0.00 O ATOM 0 H GLU A 68 -4.878 8.291 2.955 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.727 7.990 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.807 7.540 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.534 7.265 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.211 9.927 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.872 9.492 -0.033 1.00 0.00 H new ATOM 753 N CYS A 69 -5.809 5.287 2.959 1.00 0.00 N ATOM 754 CA CYS A 69 -5.806 3.834 3.179 1.00 0.00 C ATOM 755 C CYS A 69 -6.140 3.444 4.630 1.00 0.00 C ATOM 756 O CYS A 69 -6.666 2.358 4.867 1.00 0.00 O ATOM 757 CB CYS A 69 -4.476 3.230 2.716 1.00 0.00 C ATOM 758 SG CYS A 69 -3.001 3.540 3.730 1.00 0.00 S ATOM 0 H CYS A 69 -4.900 5.673 2.703 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.608 3.412 2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.608 2.151 2.639 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.274 3.599 1.710 1.00 0.00 H new ATOM 763 N ALA A 70 -5.889 4.343 5.586 1.00 0.00 N ATOM 764 CA ALA A 70 -6.289 4.230 6.982 1.00 0.00 C ATOM 765 C ALA A 70 -7.800 4.456 7.165 1.00 0.00 C ATOM 766 O ALA A 70 -8.492 3.542 7.605 1.00 0.00 O ATOM 767 CB ALA A 70 -5.452 5.225 7.796 1.00 0.00 C ATOM 0 H ALA A 70 -5.379 5.205 5.394 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.101 3.218 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.732 5.161 8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.394 4.985 7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.634 6.236 7.433 1.00 0.00 H new ATOM 773 N ARG A 71 -8.341 5.642 6.825 1.00 0.00 N ATOM 774 CA ARG A 71 -9.754 6.001 7.100 1.00 0.00 C ATOM 775 C ARG A 71 -10.793 5.102 6.414 1.00 0.00 C ATOM 776 O ARG A 71 -11.897 4.939 6.935 1.00 0.00 O ATOM 777 CB ARG A 71 -10.009 7.490 6.799 1.00 0.00 C ATOM 778 CG ARG A 71 -10.093 7.821 5.298 1.00 0.00 C ATOM 779 CD ARG A 71 -10.189 9.328 5.034 1.00 0.00 C ATOM 780 NE ARG A 71 -8.954 10.028 5.435 1.00 0.00 N ATOM 781 CZ ARG A 71 -8.759 11.332 5.503 1.00 0.00 C ATOM 782 NH1 ARG A 71 -9.676 12.191 5.160 1.00 0.00 N ATOM 783 NH2 ARG A 71 -7.626 11.800 5.943 1.00 0.00 N ATOM 0 H ARG A 71 -7.816 6.379 6.353 1.00 0.00 H new ATOM 0 HA ARG A 71 -9.896 5.822 8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.939 7.793 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.211 8.082 7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.214 7.422 4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -10.962 7.324 4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.379 9.501 3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.036 9.741 5.581 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.161 9.438 5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.582 11.863 4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.488 13.191 5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.888 11.159 6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.476 12.808 5.995 1.00 0.00 H new ATOM 797 N ASN A 72 -10.445 4.502 5.273 1.00 0.00 N ATOM 798 CA ASN A 72 -11.278 3.525 4.561 1.00 0.00 C ATOM 799 C ASN A 72 -11.217 2.098 5.163 1.00 0.00 C ATOM 800 O ASN A 72 -11.961 1.218 4.722 1.00 0.00 O ATOM 801 CB ASN A 72 -10.889 3.538 3.072 1.00 0.00 C ATOM 802 CG ASN A 72 -11.373 4.795 2.364 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.529 4.915 1.979 1.00 0.00 O ATOM 804 ND2 ASN A 72 -10.522 5.779 2.188 1.00 0.00 N ATOM 0 H ASN A 72 -9.557 4.685 4.807 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.320 3.824 4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.805 3.466 2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.310 2.661 2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.825 6.640 1.732 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.558 5.683 2.507 1.00 0.00 H new ATOM 811 N CYS A 73 -10.371 1.865 6.171 1.00 0.00 N ATOM 812 CA CYS A 73 -10.158 0.581 6.852 1.00 0.00 C ATOM 813 C CYS A 73 -10.339 0.671 8.389 1.00 0.00 C ATOM 814 O CYS A 73 -10.425 1.771 8.944 1.00 0.00 O ATOM 815 CB CYS A 73 -8.783 0.051 6.408 1.00 0.00 C ATOM 816 SG CYS A 73 -8.938 -1.155 5.058 1.00 0.00 S ATOM 0 H CYS A 73 -9.784 2.606 6.556 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.927 -0.135 6.561 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.159 0.883 6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.280 -0.413 7.256 1.00 0.00 H new ATOM 821 N PRO A 74 -10.447 -0.470 9.107 1.00 0.00 N ATOM 822 CA PRO A 74 -10.701 -0.478 10.554 1.00 0.00 C ATOM 823 C PRO A 74 -9.461 -0.150 11.412 1.00 0.00 C ATOM 824 O PRO A 74 -9.608 0.130 12.606 1.00 0.00 O ATOM 825 CB PRO A 74 -11.237 -1.883 10.851 1.00 0.00 C ATOM 826 CG PRO A 74 -10.532 -2.746 9.808 1.00 0.00 C ATOM 827 CD PRO A 74 -10.487 -1.831 8.584 1.00 0.00 C ATOM 0 HA PRO A 74 -11.407 0.309 10.819 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.998 -2.200 11.866 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.321 -1.931 10.749 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.533 -3.037 10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.082 -3.665 9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.610 -2.040 7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.362 -1.981 7.951 1.00 0.00 H new ATOM 835 N GLY A 75 -8.257 -0.172 10.824 1.00 0.00 N ATOM 836 CA GLY A 75 -6.962 0.118 11.466 1.00 0.00 C ATOM 837 C GLY A 75 -6.395 1.484 11.075 1.00 0.00 C ATOM 838 O GLY A 75 -5.660 1.550 10.065 1.00 0.00 O ATOM 839 OXT GLY A 75 -6.672 2.470 11.793 1.00 0.00 O ATOM 0 H GLY A 75 -8.152 -0.404 9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.082 0.077 12.549 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.246 -0.658 11.195 1.00 0.00 H new