USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=16 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 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+ -116:sc= 0.7 (180deg=-0.0542) USER MOD Single : A 38 CYS SG : rot -40:sc= -0.0149 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 42:sc= 0.1 USER MOD Single : A 48 MET CE :methyl -106:sc= -1.64 (180deg=-9.36!) USER MOD Single : A 50 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.29) USER MOD Single : A 53 LYS NZ :NH3+ -137:sc= 0.237 (180deg=0) USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -173:sc= 0.32 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 177:sc= -0.395 (180deg=-0.432) USER MOD Single : A 72 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLU A 23 4.680 -3.698 11.621 1.00 0.00 N ATOM 60 CA GLU A 23 4.619 -5.133 11.952 1.00 0.00 C ATOM 61 C GLU A 23 3.591 -5.936 11.123 1.00 0.00 C ATOM 62 O GLU A 23 3.671 -7.168 11.082 1.00 0.00 O ATOM 63 CB GLU A 23 4.310 -5.311 13.450 1.00 0.00 C ATOM 64 CG GLU A 23 5.427 -4.770 14.354 1.00 0.00 C ATOM 65 CD GLU A 23 5.164 -5.120 15.832 1.00 0.00 C ATOM 66 OE1 GLU A 23 4.401 -4.388 16.511 1.00 0.00 O ATOM 67 OE2 GLU A 23 5.722 -6.129 16.332 1.00 0.00 O ATOM 0 HA GLU A 23 5.600 -5.536 11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.377 -4.800 13.687 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.157 -6.369 13.662 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.385 -5.187 14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.499 -3.688 14.241 1.00 0.00 H new ATOM 74 N CYS A 24 2.626 -5.278 10.463 1.00 0.00 N ATOM 75 CA CYS A 24 1.578 -5.958 9.687 1.00 0.00 C ATOM 76 C CYS A 24 2.122 -6.634 8.407 1.00 0.00 C ATOM 77 O CYS A 24 3.071 -6.150 7.778 1.00 0.00 O ATOM 78 CB CYS A 24 0.443 -4.977 9.343 1.00 0.00 C ATOM 79 SG CYS A 24 -1.128 -5.819 8.982 1.00 0.00 S ATOM 0 H CYS A 24 2.550 -4.261 10.452 1.00 0.00 H new ATOM 0 HA CYS A 24 1.184 -6.756 10.317 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.298 -4.289 10.176 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.735 -4.377 8.481 1.00 0.00 H new ATOM 84 N THR A 25 1.479 -7.727 7.988 1.00 0.00 N ATOM 85 CA THR A 25 1.842 -8.564 6.827 1.00 0.00 C ATOM 86 C THR A 25 0.634 -8.855 5.922 1.00 0.00 C ATOM 87 O THR A 25 -0.518 -8.610 6.290 1.00 0.00 O ATOM 88 CB THR A 25 2.485 -9.890 7.284 1.00 0.00 C ATOM 89 OG1 THR A 25 1.636 -10.577 8.182 1.00 0.00 O ATOM 90 CG2 THR A 25 3.830 -9.675 7.980 1.00 0.00 C ATOM 0 H THR A 25 0.649 -8.075 8.469 1.00 0.00 H new ATOM 0 HA THR A 25 2.567 -7.996 6.245 1.00 0.00 H new ATOM 0 HB THR A 25 2.642 -10.476 6.379 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.062 -11.415 8.458 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.241 -10.638 8.282 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.521 -9.185 7.294 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.688 -9.049 8.861 1.00 0.00 H new ATOM 98 N VAL A 26 0.892 -9.363 4.711 1.00 0.00 N ATOM 99 CA VAL A 26 -0.144 -9.742 3.728 1.00 0.00 C ATOM 100 C VAL A 26 -0.940 -10.991 4.166 1.00 0.00 C ATOM 101 O VAL A 26 -0.408 -11.819 4.915 1.00 0.00 O ATOM 102 CB VAL A 26 0.474 -9.957 2.327 1.00 0.00 C ATOM 103 CG1 VAL A 26 1.120 -8.659 1.830 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.517 -11.080 2.259 1.00 0.00 C ATOM 0 H VAL A 26 1.841 -9.527 4.376 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.848 -8.911 3.677 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.358 -10.258 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.552 -8.822 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.364 -7.876 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.904 -8.354 2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.898 -11.162 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.340 -10.854 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.055 -12.023 2.550 1.00 0.00 H new ATOM 114 N PRO A 27 -2.192 -11.178 3.695 1.00 0.00 N ATOM 115 CA PRO A 27 -2.961 -12.397 3.943 1.00 0.00 C ATOM 116 C PRO A 27 -2.352 -13.613 3.222 1.00 0.00 C ATOM 117 O PRO A 27 -1.649 -13.485 2.215 1.00 0.00 O ATOM 118 CB PRO A 27 -4.386 -12.088 3.469 1.00 0.00 C ATOM 119 CG PRO A 27 -4.204 -10.996 2.416 1.00 0.00 C ATOM 120 CD PRO A 27 -2.966 -10.245 2.887 1.00 0.00 C ATOM 0 HA PRO A 27 -2.952 -12.670 4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.866 -12.971 3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.014 -11.747 4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.062 -11.418 1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.074 -10.341 2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.381 -9.891 2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.244 -9.367 3.470 1.00 0.00 H new ATOM 128 N ILE A 28 -2.634 -14.815 3.734 1.00 0.00 N ATOM 129 CA ILE A 28 -2.120 -16.083 3.191 1.00 0.00 C ATOM 130 C ILE A 28 -2.720 -16.342 1.797 1.00 0.00 C ATOM 131 O ILE A 28 -3.918 -16.155 1.570 1.00 0.00 O ATOM 132 CB ILE A 28 -2.390 -17.255 4.169 1.00 0.00 C ATOM 133 CG1 ILE A 28 -1.745 -16.970 5.551 1.00 0.00 C ATOM 134 CG2 ILE A 28 -1.851 -18.582 3.599 1.00 0.00 C ATOM 135 CD1 ILE A 28 -2.070 -18.003 6.637 1.00 0.00 C ATOM 0 H ILE A 28 -3.234 -14.940 4.549 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.038 -16.008 3.079 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.469 -17.346 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.663 -16.921 5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.072 -15.988 5.893 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.052 -19.389 4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.343 -18.797 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.776 -18.500 3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.576 -17.721 7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.148 -18.038 6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.717 -18.985 6.322 1.00 0.00 H new ATOM 147 N GLY A 29 -1.874 -16.774 0.859 1.00 0.00 N ATOM 148 CA GLY A 29 -2.242 -17.114 -0.522 1.00 0.00 C ATOM 149 C GLY A 29 -2.396 -15.925 -1.484 1.00 0.00 C ATOM 150 O GLY A 29 -2.690 -16.138 -2.663 1.00 0.00 O ATOM 0 H GLY A 29 -0.879 -16.902 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.485 -17.787 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.182 -17.666 -0.503 1.00 0.00 H new ATOM 154 N TRP A 30 -2.209 -14.682 -1.020 1.00 0.00 N ATOM 155 CA TRP A 30 -2.243 -13.470 -1.849 1.00 0.00 C ATOM 156 C TRP A 30 -0.996 -13.329 -2.750 1.00 0.00 C ATOM 157 O TRP A 30 -0.047 -14.113 -2.650 1.00 0.00 O ATOM 158 CB TRP A 30 -2.419 -12.261 -0.918 1.00 0.00 C ATOM 159 CG TRP A 30 -3.357 -11.203 -1.409 1.00 0.00 C ATOM 160 CD1 TRP A 30 -4.706 -11.303 -1.411 1.00 0.00 C ATOM 161 CD2 TRP A 30 -3.056 -9.871 -1.921 1.00 0.00 C ATOM 162 NE1 TRP A 30 -5.259 -10.137 -1.905 1.00 0.00 N ATOM 163 CE2 TRP A 30 -4.287 -9.212 -2.217 1.00 0.00 C ATOM 164 CE3 TRP A 30 -1.870 -9.141 -2.128 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -4.340 -7.895 -2.693 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -1.906 -7.817 -2.612 1.00 0.00 C ATOM 167 CH2 TRP A 30 -3.138 -7.192 -2.884 1.00 0.00 C ATOM 0 H TRP A 30 -2.026 -14.487 -0.036 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.084 -13.533 -2.539 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.774 -12.617 0.049 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.442 -11.807 -0.751 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.266 -12.164 -1.077 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.260 -9.981 -2.024 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.918 -9.602 -1.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.289 -7.428 -2.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.984 -7.279 -2.775 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.159 -6.172 -3.239 1.00 0.00 H new ATOM 178 N SER A 31 -0.978 -12.312 -3.619 1.00 0.00 N ATOM 179 CA SER A 31 0.117 -12.028 -4.562 1.00 0.00 C ATOM 180 C SER A 31 0.575 -10.570 -4.450 1.00 0.00 C ATOM 181 O SER A 31 0.001 -9.659 -5.050 1.00 0.00 O ATOM 182 CB SER A 31 -0.299 -12.404 -5.988 1.00 0.00 C ATOM 183 OG SER A 31 0.827 -12.376 -6.852 1.00 0.00 O ATOM 0 H SER A 31 -1.745 -11.643 -3.690 1.00 0.00 H new ATOM 0 HA SER A 31 0.977 -12.645 -4.301 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.746 -13.398 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.059 -11.711 -6.347 1.00 0.00 H new ATOM 0 HG SER A 31 0.549 -12.619 -7.760 1.00 0.00 H new ATOM 189 N GLU A 32 1.583 -10.338 -3.605 1.00 0.00 N ATOM 190 CA GLU A 32 2.159 -9.013 -3.327 1.00 0.00 C ATOM 191 C GLU A 32 2.806 -8.339 -4.566 1.00 0.00 C ATOM 192 O GLU A 32 3.325 -9.033 -5.449 1.00 0.00 O ATOM 193 CB GLU A 32 3.118 -9.089 -2.117 1.00 0.00 C ATOM 194 CG GLU A 32 4.127 -10.254 -2.044 1.00 0.00 C ATOM 195 CD GLU A 32 5.370 -10.086 -2.941 1.00 0.00 C ATOM 196 OE1 GLU A 32 6.220 -9.214 -2.640 1.00 0.00 O ATOM 197 OE2 GLU A 32 5.553 -10.885 -3.891 1.00 0.00 O ATOM 0 H GLU A 32 2.036 -11.085 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 32 1.332 -8.353 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.685 -8.158 -2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.509 -9.122 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.454 -10.369 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.617 -11.176 -2.322 1.00 0.00 H new ATOM 204 N PRO A 33 2.781 -6.989 -4.660 1.00 0.00 N ATOM 205 CA PRO A 33 3.338 -6.239 -5.794 1.00 0.00 C ATOM 206 C PRO A 33 4.880 -6.258 -5.841 1.00 0.00 C ATOM 207 O PRO A 33 5.559 -6.653 -4.891 1.00 0.00 O ATOM 208 CB PRO A 33 2.783 -4.814 -5.650 1.00 0.00 C ATOM 209 CG PRO A 33 2.568 -4.679 -4.152 1.00 0.00 C ATOM 210 CD PRO A 33 2.134 -6.076 -3.727 1.00 0.00 C ATOM 0 HA PRO A 33 3.045 -6.697 -6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.484 -4.068 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.853 -4.685 -6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.480 -4.370 -3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.806 -3.935 -3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.436 -6.285 -2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.050 -6.178 -3.767 1.00 0.00 H new ATOM 218 N VAL A 34 5.443 -5.787 -6.960 1.00 0.00 N ATOM 219 CA VAL A 34 6.875 -5.846 -7.302 1.00 0.00 C ATOM 220 C VAL A 34 7.477 -4.442 -7.210 1.00 0.00 C ATOM 221 O VAL A 34 7.381 -3.634 -8.138 1.00 0.00 O ATOM 222 CB VAL A 34 7.106 -6.503 -8.681 1.00 0.00 C ATOM 223 CG1 VAL A 34 8.604 -6.665 -8.976 1.00 0.00 C ATOM 224 CG2 VAL A 34 6.474 -7.902 -8.749 1.00 0.00 C ATOM 0 H VAL A 34 4.890 -5.333 -7.687 1.00 0.00 H new ATOM 0 HA VAL A 34 7.389 -6.484 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 34 6.642 -5.843 -9.414 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.734 -7.130 -9.953 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.083 -5.686 -8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.059 -7.294 -8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.655 -8.336 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.918 -8.539 -7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.400 -7.825 -8.579 1.00 0.00 H new ATOM 234 N LYS A 35 8.063 -4.147 -6.047 1.00 0.00 N ATOM 235 CA LYS A 35 8.636 -2.849 -5.643 1.00 0.00 C ATOM 236 C LYS A 35 10.168 -2.891 -5.500 1.00 0.00 C ATOM 237 O LYS A 35 10.767 -3.969 -5.552 1.00 0.00 O ATOM 238 CB LYS A 35 7.897 -2.378 -4.372 1.00 0.00 C ATOM 239 CG LYS A 35 8.106 -3.236 -3.103 1.00 0.00 C ATOM 240 CD LYS A 35 9.277 -2.799 -2.201 1.00 0.00 C ATOM 241 CE LYS A 35 9.016 -1.417 -1.581 1.00 0.00 C ATOM 242 NZ LYS A 35 10.241 -0.819 -0.989 1.00 0.00 N ATOM 0 H LYS A 35 8.159 -4.848 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 35 8.479 -2.111 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.211 -1.358 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.830 -2.343 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.188 -3.216 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.268 -4.270 -3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.423 -3.534 -1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.198 -2.771 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.622 -0.748 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.250 -1.507 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.115 -0.714 0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.055 -1.438 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.412 0.115 -1.414 1.00 0.00 H new ATOM 256 N GLY A 36 10.804 -1.735 -5.293 1.00 0.00 N ATOM 257 CA GLY A 36 12.243 -1.623 -4.994 1.00 0.00 C ATOM 258 C GLY A 36 12.914 -0.305 -5.408 1.00 0.00 C ATOM 259 O GLY A 36 13.984 0.017 -4.887 1.00 0.00 O ATOM 0 H GLY A 36 10.330 -0.833 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.383 -1.758 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.762 -2.444 -5.489 1.00 0.00 H new ATOM 263 N LEU A 37 12.315 0.475 -6.316 1.00 0.00 N ATOM 264 CA LEU A 37 12.821 1.778 -6.776 1.00 0.00 C ATOM 265 C LEU A 37 12.463 2.898 -5.768 1.00 0.00 C ATOM 266 O LEU A 37 11.791 3.882 -6.084 1.00 0.00 O ATOM 267 CB LEU A 37 12.343 2.062 -8.220 1.00 0.00 C ATOM 268 CG LEU A 37 13.136 1.316 -9.317 1.00 0.00 C ATOM 269 CD1 LEU A 37 12.846 -0.187 -9.384 1.00 0.00 C ATOM 270 CD2 LEU A 37 12.800 1.908 -10.688 1.00 0.00 C ATOM 0 H LEU A 37 11.438 0.211 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 37 13.910 1.752 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.291 1.789 -8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.410 3.134 -8.407 1.00 0.00 H new ATOM 0 HG LEU A 37 14.186 1.443 -9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.441 -0.637 -10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.103 -0.650 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.787 -0.344 -9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.361 1.380 -11.460 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.732 1.802 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.068 2.964 -10.704 1.00 0.00 H new ATOM 282 N CYS A 38 12.978 2.767 -4.543 1.00 0.00 N ATOM 283 CA CYS A 38 12.794 3.689 -3.412 1.00 0.00 C ATOM 284 C CYS A 38 13.539 5.043 -3.567 1.00 0.00 C ATOM 285 O CYS A 38 13.515 5.882 -2.662 1.00 0.00 O ATOM 286 CB CYS A 38 13.209 2.930 -2.139 1.00 0.00 C ATOM 287 SG CYS A 38 12.540 3.723 -0.645 1.00 0.00 S ATOM 0 H CYS A 38 13.568 1.972 -4.297 1.00 0.00 H new ATOM 0 HA CYS A 38 11.747 3.986 -3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.855 1.901 -2.196 1.00 0.00 H new ATOM 0 HB3 CYS A 38 14.296 2.890 -2.076 1.00 0.00 H new ATOM 0 HG CYS A 38 12.626 5.015 -0.764 1.00 0.00 H new ATOM 293 N LYS A 39 14.207 5.277 -4.706 1.00 0.00 N ATOM 294 CA LYS A 39 14.931 6.516 -5.057 1.00 0.00 C ATOM 295 C LYS A 39 14.019 7.747 -5.218 1.00 0.00 C ATOM 296 O LYS A 39 14.497 8.875 -5.093 1.00 0.00 O ATOM 297 CB LYS A 39 15.748 6.284 -6.346 1.00 0.00 C ATOM 298 CG LYS A 39 16.861 5.224 -6.212 1.00 0.00 C ATOM 299 CD LYS A 39 18.062 5.662 -5.351 1.00 0.00 C ATOM 300 CE LYS A 39 18.929 6.756 -5.996 1.00 0.00 C ATOM 301 NZ LYS A 39 19.724 6.244 -7.146 1.00 0.00 N ATOM 0 H LYS A 39 14.262 4.576 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 39 15.591 6.743 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.069 5.981 -7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.197 7.229 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.433 4.319 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.220 4.965 -7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.695 6.023 -4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.686 4.792 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.289 7.571 -6.334 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.604 7.170 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.292 7.017 -7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.355 5.484 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.081 5.872 -7.874 1.00 0.00 H new ATOM 315 N ALA A 40 12.723 7.548 -5.477 1.00 0.00 N ATOM 316 CA ALA A 40 11.704 8.602 -5.472 1.00 0.00 C ATOM 317 C ALA A 40 11.434 9.168 -4.056 1.00 0.00 C ATOM 318 O ALA A 40 11.835 8.589 -3.042 1.00 0.00 O ATOM 319 CB ALA A 40 10.422 8.029 -6.098 1.00 0.00 C ATOM 0 H ALA A 40 12.344 6.628 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 40 12.068 9.446 -6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.647 8.795 -6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.627 7.710 -7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.082 7.175 -5.513 1.00 0.00 H new ATOM 325 N ARG A 41 10.694 10.285 -3.984 1.00 0.00 N ATOM 326 CA ARG A 41 10.265 10.972 -2.744 1.00 0.00 C ATOM 327 C ARG A 41 8.741 10.966 -2.528 1.00 0.00 C ATOM 328 O ARG A 41 8.212 11.750 -1.739 1.00 0.00 O ATOM 329 CB ARG A 41 10.907 12.371 -2.678 1.00 0.00 C ATOM 330 CG ARG A 41 10.501 13.328 -3.811 1.00 0.00 C ATOM 331 CD ARG A 41 11.147 14.700 -3.588 1.00 0.00 C ATOM 332 NE ARG A 41 10.887 15.618 -4.714 1.00 0.00 N ATOM 333 CZ ARG A 41 11.269 16.880 -4.812 1.00 0.00 C ATOM 334 NH1 ARG A 41 11.919 17.483 -3.855 1.00 0.00 N ATOM 335 NH2 ARG A 41 11.005 17.570 -5.884 1.00 0.00 N ATOM 0 H ARG A 41 10.361 10.760 -4.823 1.00 0.00 H new ATOM 0 HA ARG A 41 10.634 10.399 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.645 12.830 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.991 12.257 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.813 12.921 -4.773 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.416 13.428 -3.844 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.763 15.137 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.223 14.579 -3.459 1.00 0.00 H new ATOM 0 HE ARG A 41 10.357 15.239 -5.499 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.148 16.980 -2.998 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.199 18.458 -3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.499 17.138 -6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.304 18.543 -5.951 1.00 0.00 H new ATOM 349 N PHE A 42 8.040 10.083 -3.239 1.00 0.00 N ATOM 350 CA PHE A 42 6.593 9.887 -3.237 1.00 0.00 C ATOM 351 C PHE A 42 6.274 8.382 -3.252 1.00 0.00 C ATOM 352 O PHE A 42 6.731 7.634 -4.119 1.00 0.00 O ATOM 353 CB PHE A 42 5.957 10.646 -4.418 1.00 0.00 C ATOM 354 CG PHE A 42 6.571 10.396 -5.788 1.00 0.00 C ATOM 355 CD1 PHE A 42 7.645 11.190 -6.237 1.00 0.00 C ATOM 356 CD2 PHE A 42 6.062 9.384 -6.625 1.00 0.00 C ATOM 357 CE1 PHE A 42 8.211 10.969 -7.506 1.00 0.00 C ATOM 358 CE2 PHE A 42 6.631 9.159 -7.891 1.00 0.00 C ATOM 359 CZ PHE A 42 7.704 9.952 -8.332 1.00 0.00 C ATOM 0 H PHE A 42 8.505 9.439 -3.879 1.00 0.00 H new ATOM 0 HA PHE A 42 6.158 10.299 -2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.900 10.384 -4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.012 11.714 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.036 11.973 -5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.232 8.779 -6.293 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.034 11.580 -7.845 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.243 8.376 -8.525 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.139 9.780 -9.306 1.00 0.00 H new ATOM 369 N THR A 43 5.512 7.936 -2.256 1.00 0.00 N ATOM 370 CA THR A 43 5.076 6.541 -2.039 1.00 0.00 C ATOM 371 C THR A 43 3.597 6.507 -1.628 1.00 0.00 C ATOM 372 O THR A 43 3.037 7.536 -1.238 1.00 0.00 O ATOM 373 CB THR A 43 5.952 5.856 -0.963 1.00 0.00 C ATOM 374 OG1 THR A 43 7.312 6.230 -1.078 1.00 0.00 O ATOM 375 CG2 THR A 43 5.931 4.335 -1.080 1.00 0.00 C ATOM 0 H THR A 43 5.158 8.565 -1.535 1.00 0.00 H new ATOM 0 HA THR A 43 5.193 5.992 -2.974 1.00 0.00 H new ATOM 0 HB THR A 43 5.527 6.179 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.835 5.780 -0.382 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.561 3.902 -0.303 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.909 3.975 -0.962 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.308 4.040 -2.059 1.00 0.00 H new ATOM 383 N ARG A 44 2.948 5.336 -1.702 1.00 0.00 N ATOM 384 CA ARG A 44 1.528 5.141 -1.358 1.00 0.00 C ATOM 385 C ARG A 44 1.294 3.913 -0.474 1.00 0.00 C ATOM 386 O ARG A 44 2.203 3.120 -0.220 1.00 0.00 O ATOM 387 CB ARG A 44 0.688 5.138 -2.648 1.00 0.00 C ATOM 388 CG ARG A 44 0.870 3.848 -3.462 1.00 0.00 C ATOM 389 CD ARG A 44 0.330 3.958 -4.890 1.00 0.00 C ATOM 390 NE ARG A 44 1.086 4.919 -5.717 1.00 0.00 N ATOM 391 CZ ARG A 44 0.732 5.376 -6.904 1.00 0.00 C ATOM 392 NH1 ARG A 44 -0.412 5.069 -7.450 1.00 0.00 N ATOM 393 NH2 ARG A 44 1.527 6.164 -7.571 1.00 0.00 N ATOM 0 H ARG A 44 3.404 4.477 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 44 1.198 5.978 -0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.365 5.258 -2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.967 5.994 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.930 3.595 -3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.365 3.029 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.362 2.976 -5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.717 4.261 -4.855 1.00 0.00 H new ATOM 0 HE ARG A 44 1.967 5.263 -5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.064 4.458 -6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.654 5.440 -8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.429 6.431 -7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.247 6.514 -8.488 1.00 0.00 H new ATOM 407 N TYR A 45 0.062 3.781 0.011 1.00 0.00 N ATOM 408 CA TYR A 45 -0.311 2.910 1.129 1.00 0.00 C ATOM 409 C TYR A 45 -1.617 2.160 0.812 1.00 0.00 C ATOM 410 O TYR A 45 -2.680 2.776 0.735 1.00 0.00 O ATOM 411 CB TYR A 45 -0.434 3.745 2.423 1.00 0.00 C ATOM 412 CG TYR A 45 0.727 4.669 2.799 1.00 0.00 C ATOM 413 CD1 TYR A 45 2.069 4.240 2.738 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.455 5.971 3.267 1.00 0.00 C ATOM 415 CE1 TYR A 45 3.116 5.086 3.152 1.00 0.00 C ATOM 416 CE2 TYR A 45 1.496 6.828 3.675 1.00 0.00 C ATOM 417 CZ TYR A 45 2.833 6.382 3.627 1.00 0.00 C ATOM 418 OH TYR A 45 3.850 7.180 4.055 1.00 0.00 O ATOM 0 H TYR A 45 -0.732 4.293 -0.374 1.00 0.00 H new ATOM 0 HA TYR A 45 0.467 2.162 1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.333 4.356 2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.592 3.054 3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.297 3.251 2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.567 6.317 3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.138 4.741 3.105 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.271 7.825 4.024 1.00 0.00 H new ATOM 0 HH TYR A 45 3.488 8.042 4.350 1.00 0.00 H new ATOM 428 N TYR A 46 -1.559 0.843 0.598 1.00 0.00 N ATOM 429 CA TYR A 46 -2.724 0.007 0.267 1.00 0.00 C ATOM 430 C TYR A 46 -3.255 -0.723 1.509 1.00 0.00 C ATOM 431 O TYR A 46 -2.473 -1.294 2.272 1.00 0.00 O ATOM 432 CB TYR A 46 -2.357 -1.008 -0.823 1.00 0.00 C ATOM 433 CG TYR A 46 -2.069 -0.396 -2.183 1.00 0.00 C ATOM 434 CD1 TYR A 46 -3.119 -0.199 -3.103 1.00 0.00 C ATOM 435 CD2 TYR A 46 -0.753 -0.039 -2.538 1.00 0.00 C ATOM 436 CE1 TYR A 46 -2.855 0.364 -4.365 1.00 0.00 C ATOM 437 CE2 TYR A 46 -0.485 0.514 -3.807 1.00 0.00 C ATOM 438 CZ TYR A 46 -1.541 0.741 -4.714 1.00 0.00 C ATOM 439 OH TYR A 46 -1.297 1.328 -5.917 1.00 0.00 O ATOM 0 H TYR A 46 -0.688 0.315 0.650 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.512 0.662 -0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.481 -1.570 -0.499 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.174 -1.723 -0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.128 -0.481 -2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.053 -0.190 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.661 0.508 -5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.528 0.764 -4.084 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.001 1.982 -6.111 1.00 0.00 H new ATOM 449 N CYS A 47 -4.576 -0.726 1.718 1.00 0.00 N ATOM 450 CA CYS A 47 -5.204 -1.537 2.770 1.00 0.00 C ATOM 451 C CYS A 47 -5.114 -3.037 2.436 1.00 0.00 C ATOM 452 O CYS A 47 -5.514 -3.467 1.351 1.00 0.00 O ATOM 453 CB CYS A 47 -6.658 -1.115 3.026 1.00 0.00 C ATOM 454 SG CYS A 47 -7.424 -2.096 4.353 1.00 0.00 S ATOM 0 H CYS A 47 -5.235 -0.173 1.170 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.650 -1.359 3.691 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.688 -0.058 3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.236 -1.230 2.109 1.00 0.00 H new ATOM 459 N MET A 48 -4.617 -3.830 3.387 1.00 0.00 N ATOM 460 CA MET A 48 -4.507 -5.290 3.337 1.00 0.00 C ATOM 461 C MET A 48 -5.417 -5.917 4.405 1.00 0.00 C ATOM 462 O MET A 48 -4.986 -6.256 5.509 1.00 0.00 O ATOM 463 CB MET A 48 -3.032 -5.713 3.477 1.00 0.00 C ATOM 464 CG MET A 48 -2.160 -5.241 2.300 1.00 0.00 C ATOM 465 SD MET A 48 -2.674 -5.817 0.650 1.00 0.00 S ATOM 466 CE MET A 48 -2.240 -7.577 0.745 1.00 0.00 C ATOM 0 H MET A 48 -4.260 -3.449 4.263 1.00 0.00 H new ATOM 0 HA MET A 48 -4.849 -5.660 2.370 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.630 -5.309 4.406 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.976 -6.799 3.552 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.148 -4.151 2.296 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.136 -5.571 2.476 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.347 -7.764 0.148 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.047 -7.849 1.783 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.065 -8.177 0.361 1.00 0.00 H new ATOM 476 N GLY A 49 -6.710 -6.038 4.084 1.00 0.00 N ATOM 477 CA GLY A 49 -7.743 -6.644 4.935 1.00 0.00 C ATOM 478 C GLY A 49 -8.261 -5.722 6.041 1.00 0.00 C ATOM 479 O GLY A 49 -9.447 -5.387 6.073 1.00 0.00 O ATOM 0 H GLY A 49 -7.080 -5.705 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.581 -6.949 4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.339 -7.548 5.390 1.00 0.00 H new ATOM 483 N ASN A 50 -7.374 -5.322 6.957 1.00 0.00 N ATOM 484 CA ASN A 50 -7.671 -4.454 8.103 1.00 0.00 C ATOM 485 C ASN A 50 -6.641 -3.322 8.272 1.00 0.00 C ATOM 486 O ASN A 50 -7.031 -2.156 8.306 1.00 0.00 O ATOM 487 CB ASN A 50 -7.880 -5.309 9.372 1.00 0.00 C ATOM 488 CG ASN A 50 -6.707 -6.206 9.743 1.00 0.00 C ATOM 489 OD1 ASN A 50 -5.761 -5.795 10.395 1.00 0.00 O ATOM 490 ND2 ASN A 50 -6.724 -7.457 9.340 1.00 0.00 N ATOM 0 H ASN A 50 -6.394 -5.603 6.921 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.608 -3.932 7.911 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.089 -4.644 10.210 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.764 -5.931 9.231 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.949 -8.078 9.573 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.512 -7.806 8.795 1.00 0.00 H new ATOM 497 N CYS A 51 -5.348 -3.650 8.346 1.00 0.00 N ATOM 498 CA CYS A 51 -4.242 -2.684 8.333 1.00 0.00 C ATOM 499 C CYS A 51 -3.989 -2.139 6.911 1.00 0.00 C ATOM 500 O CYS A 51 -4.569 -2.633 5.942 1.00 0.00 O ATOM 501 CB CYS A 51 -2.990 -3.381 8.900 1.00 0.00 C ATOM 502 SG CYS A 51 -2.193 -4.567 7.776 1.00 0.00 S ATOM 0 H CYS A 51 -5.032 -4.617 8.418 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.496 -1.823 8.952 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.261 -2.618 9.175 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.267 -3.902 9.816 1.00 0.00 H new ATOM 507 N CYS A 52 -3.060 -1.192 6.754 1.00 0.00 N ATOM 508 CA CYS A 52 -2.449 -0.880 5.454 1.00 0.00 C ATOM 509 C CYS A 52 -0.940 -1.178 5.451 1.00 0.00 C ATOM 510 O CYS A 52 -0.318 -1.299 6.511 1.00 0.00 O ATOM 511 CB CYS A 52 -2.747 0.567 4.994 1.00 0.00 C ATOM 512 SG CYS A 52 -3.899 1.602 5.929 1.00 0.00 S ATOM 0 H CYS A 52 -2.709 -0.619 7.522 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.915 -1.541 4.723 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.795 1.096 4.956 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.121 0.510 3.972 1.00 0.00 H new ATOM 517 N LYS A 53 -0.352 -1.265 4.251 1.00 0.00 N ATOM 518 CA LYS A 53 1.092 -1.440 4.018 1.00 0.00 C ATOM 519 C LYS A 53 1.618 -0.494 2.936 1.00 0.00 C ATOM 520 O LYS A 53 0.872 -0.095 2.038 1.00 0.00 O ATOM 521 CB LYS A 53 1.381 -2.899 3.619 1.00 0.00 C ATOM 522 CG LYS A 53 2.568 -3.500 4.390 1.00 0.00 C ATOM 523 CD LYS A 53 3.228 -4.608 3.554 1.00 0.00 C ATOM 524 CE LYS A 53 3.979 -5.691 4.335 1.00 0.00 C ATOM 525 NZ LYS A 53 4.853 -5.158 5.417 1.00 0.00 N ATOM 0 H LYS A 53 -0.886 -1.214 3.383 1.00 0.00 H new ATOM 0 HA LYS A 53 1.608 -1.198 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.492 -3.504 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.587 -2.945 2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.296 -2.722 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.226 -3.906 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.456 -5.091 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.926 -4.142 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.255 -6.378 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.589 -6.269 3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.764 -5.660 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.016 -4.142 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.391 -5.299 6.338 1.00 0.00 H new ATOM 539 N VAL A 54 2.912 -0.179 2.986 1.00 0.00 N ATOM 540 CA VAL A 54 3.611 0.644 1.983 1.00 0.00 C ATOM 541 C VAL A 54 4.037 -0.166 0.752 1.00 0.00 C ATOM 542 O VAL A 54 4.661 -1.220 0.882 1.00 0.00 O ATOM 543 CB VAL A 54 4.792 1.401 2.628 1.00 0.00 C ATOM 544 CG1 VAL A 54 5.960 0.518 3.085 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.348 2.461 1.678 1.00 0.00 C ATOM 0 H VAL A 54 3.523 -0.493 3.740 1.00 0.00 H new ATOM 0 HA VAL A 54 2.903 1.387 1.615 1.00 0.00 H new ATOM 0 HB VAL A 54 4.358 1.850 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.738 1.142 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.607 -0.197 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.366 -0.020 2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.179 2.979 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.698 1.982 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.564 3.179 1.435 1.00 0.00 H new ATOM 555 N TYR A 55 3.712 0.342 -0.442 1.00 0.00 N ATOM 556 CA TYR A 55 4.145 -0.194 -1.741 1.00 0.00 C ATOM 557 C TYR A 55 4.382 0.933 -2.770 1.00 0.00 C ATOM 558 O TYR A 55 4.063 2.099 -2.531 1.00 0.00 O ATOM 559 CB TYR A 55 3.121 -1.228 -2.251 1.00 0.00 C ATOM 560 CG TYR A 55 3.049 -2.515 -1.441 1.00 0.00 C ATOM 561 CD1 TYR A 55 4.140 -3.407 -1.465 1.00 0.00 C ATOM 562 CD2 TYR A 55 1.902 -2.838 -0.687 1.00 0.00 C ATOM 563 CE1 TYR A 55 4.085 -4.621 -0.753 1.00 0.00 C ATOM 564 CE2 TYR A 55 1.833 -4.064 0.007 1.00 0.00 C ATOM 565 CZ TYR A 55 2.923 -4.961 -0.037 1.00 0.00 C ATOM 566 OH TYR A 55 2.859 -6.165 0.591 1.00 0.00 O ATOM 0 H TYR A 55 3.119 1.167 -0.536 1.00 0.00 H new ATOM 0 HA TYR A 55 5.102 -0.698 -1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.134 -0.766 -2.259 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.364 -1.479 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.024 -3.158 -2.033 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.075 -2.145 -0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.933 -5.289 -0.757 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.948 -4.317 0.571 1.00 0.00 H new ATOM 0 HH TYR A 55 3.759 -6.441 0.862 1.00 0.00 H new ATOM 576 N GLU A 56 4.966 0.591 -3.922 1.00 0.00 N ATOM 577 CA GLU A 56 5.473 1.540 -4.930 1.00 0.00 C ATOM 578 C GLU A 56 4.859 1.289 -6.324 1.00 0.00 C ATOM 579 O GLU A 56 4.363 0.197 -6.617 1.00 0.00 O ATOM 580 CB GLU A 56 7.007 1.421 -5.007 1.00 0.00 C ATOM 581 CG GLU A 56 7.739 1.770 -3.694 1.00 0.00 C ATOM 582 CD GLU A 56 9.230 1.372 -3.698 1.00 0.00 C ATOM 583 OE1 GLU A 56 9.735 0.836 -4.712 1.00 0.00 O ATOM 584 OE2 GLU A 56 9.880 1.519 -2.636 1.00 0.00 O ATOM 0 H GLU A 56 5.106 -0.383 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 56 5.184 2.545 -4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.266 0.402 -5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.371 2.077 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.657 2.842 -3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.239 1.270 -2.864 1.00 0.00 H new ATOM 591 N GLY A 57 4.931 2.296 -7.205 1.00 0.00 N ATOM 592 CA GLY A 57 4.361 2.269 -8.560 1.00 0.00 C ATOM 593 C GLY A 57 2.824 2.319 -8.602 1.00 0.00 C ATOM 594 O GLY A 57 2.146 2.344 -7.571 1.00 0.00 O ATOM 0 H GLY A 57 5.400 3.176 -6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.756 3.114 -9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.697 1.363 -9.065 1.00 0.00 H new ATOM 598 N CYS A 58 2.257 2.346 -9.812 1.00 0.00 N ATOM 599 CA CYS A 58 0.808 2.302 -10.038 1.00 0.00 C ATOM 600 C CYS A 58 0.278 0.854 -9.978 1.00 0.00 C ATOM 601 O CYS A 58 0.060 0.210 -11.009 1.00 0.00 O ATOM 602 CB CYS A 58 0.479 2.991 -11.372 1.00 0.00 C ATOM 603 SG CYS A 58 -1.320 3.218 -11.530 1.00 0.00 S ATOM 0 H CYS A 58 2.799 2.400 -10.675 1.00 0.00 H new ATOM 0 HA CYS A 58 0.300 2.845 -9.241 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.982 3.957 -11.425 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.852 2.391 -12.202 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.586 3.803 -12.660 1.00 0.00 H new ATOM 609 N TYR A 59 0.059 0.328 -8.769 1.00 0.00 N ATOM 610 CA TYR A 59 -0.603 -0.965 -8.570 1.00 0.00 C ATOM 611 C TYR A 59 -2.135 -0.796 -8.589 1.00 0.00 C ATOM 612 O TYR A 59 -2.807 -0.783 -7.555 1.00 0.00 O ATOM 613 CB TYR A 59 -0.063 -1.654 -7.305 1.00 0.00 C ATOM 614 CG TYR A 59 -0.644 -3.032 -7.016 1.00 0.00 C ATOM 615 CD1 TYR A 59 -0.909 -3.945 -8.059 1.00 0.00 C ATOM 616 CD2 TYR A 59 -0.918 -3.401 -5.684 1.00 0.00 C ATOM 617 CE1 TYR A 59 -1.454 -5.209 -7.774 1.00 0.00 C ATOM 618 CE2 TYR A 59 -1.450 -4.672 -5.393 1.00 0.00 C ATOM 619 CZ TYR A 59 -1.726 -5.580 -6.441 1.00 0.00 C ATOM 620 OH TYR A 59 -2.258 -6.806 -6.184 1.00 0.00 O ATOM 0 H TYR A 59 0.336 0.786 -7.901 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.368 -1.633 -9.399 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.019 -1.746 -7.395 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.258 -1.009 -6.448 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.692 -3.671 -9.081 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.719 -2.705 -4.882 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.665 -5.898 -8.578 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.647 -4.953 -4.369 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.491 -6.869 -5.234 1.00 0.00 H new ATOM 630 N THR A 60 -2.695 -0.630 -9.795 1.00 0.00 N ATOM 631 CA THR A 60 -4.149 -0.521 -10.046 1.00 0.00 C ATOM 632 C THR A 60 -4.793 0.688 -9.330 1.00 0.00 C ATOM 633 O THR A 60 -5.954 0.670 -8.918 1.00 0.00 O ATOM 634 CB THR A 60 -4.845 -1.875 -9.755 1.00 0.00 C ATOM 635 OG1 THR A 60 -4.080 -2.954 -10.272 1.00 0.00 O ATOM 636 CG2 THR A 60 -6.216 -2.017 -10.423 1.00 0.00 C ATOM 0 H THR A 60 -2.140 -0.565 -10.648 1.00 0.00 H new ATOM 0 HA THR A 60 -4.300 -0.308 -11.104 1.00 0.00 H new ATOM 0 HB THR A 60 -4.947 -1.898 -8.670 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.534 -3.800 -10.077 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.643 -2.989 -10.175 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.878 -1.228 -10.066 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.104 -1.935 -11.504 1.00 0.00 H new ATOM 644 N GLY A 61 -4.026 1.775 -9.175 1.00 0.00 N ATOM 645 CA GLY A 61 -4.444 3.040 -8.559 1.00 0.00 C ATOM 646 C GLY A 61 -4.534 2.970 -7.032 1.00 0.00 C ATOM 647 O GLY A 61 -3.575 3.319 -6.341 1.00 0.00 O ATOM 0 H GLY A 61 -3.056 1.797 -9.489 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.739 3.823 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.416 3.328 -8.960 1.00 0.00 H new ATOM 651 N GLY A 62 -5.676 2.515 -6.506 1.00 0.00 N ATOM 652 CA GLY A 62 -5.993 2.441 -5.074 1.00 0.00 C ATOM 653 C GLY A 62 -5.946 3.798 -4.360 1.00 0.00 C ATOM 654 O GLY A 62 -6.556 4.768 -4.822 1.00 0.00 O ATOM 0 H GLY A 62 -6.438 2.173 -7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.987 2.011 -4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.291 1.762 -4.590 1.00 0.00 H new ATOM 658 N TYR A 63 -5.263 3.858 -3.212 1.00 0.00 N ATOM 659 CA TYR A 63 -5.176 5.044 -2.350 1.00 0.00 C ATOM 660 C TYR A 63 -3.853 5.805 -2.543 1.00 0.00 C ATOM 661 O TYR A 63 -2.873 5.257 -3.057 1.00 0.00 O ATOM 662 CB TYR A 63 -5.334 4.610 -0.883 1.00 0.00 C ATOM 663 CG TYR A 63 -6.532 3.717 -0.604 1.00 0.00 C ATOM 664 CD1 TYR A 63 -7.836 4.169 -0.884 1.00 0.00 C ATOM 665 CD2 TYR A 63 -6.333 2.415 -0.105 1.00 0.00 C ATOM 666 CE1 TYR A 63 -8.936 3.315 -0.685 1.00 0.00 C ATOM 667 CE2 TYR A 63 -7.433 1.558 0.100 1.00 0.00 C ATOM 668 CZ TYR A 63 -8.739 2.006 -0.196 1.00 0.00 C ATOM 669 OH TYR A 63 -9.807 1.180 -0.027 1.00 0.00 O ATOM 0 H TYR A 63 -4.741 3.062 -2.846 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.978 5.728 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.429 4.086 -0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.412 5.502 -0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.992 5.172 -1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.334 2.072 0.121 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.934 3.662 -0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.277 0.560 0.483 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.500 0.315 0.316 1.00 0.00 H new ATOM 679 N SER A 64 -3.807 7.055 -2.069 1.00 0.00 N ATOM 680 CA SER A 64 -2.643 7.958 -2.185 1.00 0.00 C ATOM 681 C SER A 64 -2.211 8.600 -0.856 1.00 0.00 C ATOM 682 O SER A 64 -1.236 9.356 -0.836 1.00 0.00 O ATOM 683 CB SER A 64 -2.930 9.054 -3.224 1.00 0.00 C ATOM 684 OG SER A 64 -3.299 8.504 -4.481 1.00 0.00 O ATOM 0 H SER A 64 -4.594 7.483 -1.581 1.00 0.00 H new ATOM 0 HA SER A 64 -1.809 7.334 -2.506 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.730 9.699 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.046 9.680 -3.346 1.00 0.00 H new ATOM 0 HG SER A 64 -3.476 9.229 -5.116 1.00 0.00 H new ATOM 690 N ARG A 65 -2.906 8.313 0.257 1.00 0.00 N ATOM 691 CA ARG A 65 -2.623 8.836 1.608 1.00 0.00 C ATOM 692 C ARG A 65 -2.880 7.806 2.709 1.00 0.00 C ATOM 693 O ARG A 65 -3.629 6.844 2.534 1.00 0.00 O ATOM 694 CB ARG A 65 -3.463 10.098 1.890 1.00 0.00 C ATOM 695 CG ARG A 65 -3.071 11.307 1.028 1.00 0.00 C ATOM 696 CD ARG A 65 -3.646 12.578 1.658 1.00 0.00 C ATOM 697 NE ARG A 65 -3.426 13.759 0.802 1.00 0.00 N ATOM 698 CZ ARG A 65 -3.805 15.002 1.046 1.00 0.00 C ATOM 699 NH1 ARG A 65 -4.425 15.335 2.143 1.00 0.00 N ATOM 700 NH2 ARG A 65 -3.567 15.947 0.182 1.00 0.00 N ATOM 0 H ARG A 65 -3.711 7.687 0.242 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.561 9.082 1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.515 9.868 1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.360 10.364 2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.986 11.381 0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.451 11.185 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.714 12.447 1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.184 12.743 2.631 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.927 13.599 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.633 14.626 2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.703 16.304 2.298 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.085 15.731 -0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.863 16.903 0.378 1.00 0.00 H new ATOM 714 N MET A 66 -2.306 8.075 3.879 1.00 0.00 N ATOM 715 CA MET A 66 -2.437 7.286 5.112 1.00 0.00 C ATOM 716 C MET A 66 -3.887 7.299 5.633 1.00 0.00 C ATOM 717 O MET A 66 -4.446 6.262 5.985 1.00 0.00 O ATOM 718 CB MET A 66 -1.448 7.873 6.142 1.00 0.00 C ATOM 719 CG MET A 66 -0.580 6.893 6.938 1.00 0.00 C ATOM 720 SD MET A 66 -1.357 5.373 7.539 1.00 0.00 S ATOM 721 CE MET A 66 -0.625 4.251 6.321 1.00 0.00 C ATOM 0 H MET A 66 -1.705 8.890 4.004 1.00 0.00 H new ATOM 0 HA MET A 66 -2.198 6.239 4.924 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.783 8.558 5.615 1.00 0.00 H new ATOM 0 HB3 MET A 66 -2.020 8.468 6.854 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.267 6.611 6.312 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.177 7.426 7.799 1.00 0.00 H new ATOM 0 HE1 MET A 66 -0.932 3.228 6.538 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.964 4.527 5.322 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.462 4.322 6.368 1.00 0.00 H new ATOM 731 N GLY A 67 -4.537 8.467 5.602 1.00 0.00 N ATOM 732 CA GLY A 67 -5.947 8.617 5.980 1.00 0.00 C ATOM 733 C GLY A 67 -6.932 7.962 5.003 1.00 0.00 C ATOM 734 O GLY A 67 -8.031 7.593 5.411 1.00 0.00 O ATOM 0 H GLY A 67 -4.097 9.341 5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.094 8.186 6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.180 9.679 6.057 1.00 0.00 H new ATOM 738 N GLU A 68 -6.567 7.797 3.728 1.00 0.00 N ATOM 739 CA GLU A 68 -7.378 7.096 2.719 1.00 0.00 C ATOM 740 C GLU A 68 -7.355 5.571 2.918 1.00 0.00 C ATOM 741 O GLU A 68 -8.411 4.936 2.930 1.00 0.00 O ATOM 742 CB GLU A 68 -6.905 7.455 1.301 1.00 0.00 C ATOM 743 CG GLU A 68 -7.296 8.875 0.862 1.00 0.00 C ATOM 744 CD GLU A 68 -8.813 9.083 0.648 1.00 0.00 C ATOM 745 OE1 GLU A 68 -9.577 8.097 0.521 1.00 0.00 O ATOM 746 OE2 GLU A 68 -9.248 10.259 0.590 1.00 0.00 O ATOM 0 H GLU A 68 -5.685 8.152 3.358 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.408 7.428 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.821 7.355 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.323 6.738 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.947 9.583 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.775 9.112 -0.066 1.00 0.00 H new ATOM 753 N CYS A 69 -6.174 4.976 3.128 1.00 0.00 N ATOM 754 CA CYS A 69 -6.043 3.540 3.410 1.00 0.00 C ATOM 755 C CYS A 69 -6.776 3.127 4.704 1.00 0.00 C ATOM 756 O CYS A 69 -7.308 2.019 4.788 1.00 0.00 O ATOM 757 CB CYS A 69 -4.560 3.158 3.407 1.00 0.00 C ATOM 758 SG CYS A 69 -3.645 3.372 4.952 1.00 0.00 S ATOM 0 H CYS A 69 -5.284 5.474 3.107 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.539 2.976 2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.482 2.112 3.111 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.062 3.746 2.636 1.00 0.00 H new ATOM 763 N ALA A 70 -6.850 4.031 5.686 1.00 0.00 N ATOM 764 CA ALA A 70 -7.508 3.846 6.972 1.00 0.00 C ATOM 765 C ALA A 70 -9.032 4.055 6.905 1.00 0.00 C ATOM 766 O ALA A 70 -9.770 3.163 7.317 1.00 0.00 O ATOM 767 CB ALA A 70 -6.851 4.802 7.976 1.00 0.00 C ATOM 0 H ALA A 70 -6.430 4.956 5.595 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.380 2.811 7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.324 4.686 8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.789 4.570 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.973 5.830 7.633 1.00 0.00 H new ATOM 773 N ARG A 71 -9.538 5.191 6.388 1.00 0.00 N ATOM 774 CA ARG A 71 -10.991 5.508 6.392 1.00 0.00 C ATOM 775 C ARG A 71 -11.866 4.478 5.666 1.00 0.00 C ATOM 776 O ARG A 71 -13.033 4.303 6.014 1.00 0.00 O ATOM 777 CB ARG A 71 -11.249 6.932 5.860 1.00 0.00 C ATOM 778 CG ARG A 71 -11.083 7.068 4.334 1.00 0.00 C ATOM 779 CD ARG A 71 -11.197 8.515 3.841 1.00 0.00 C ATOM 780 NE ARG A 71 -10.120 9.368 4.379 1.00 0.00 N ATOM 781 CZ ARG A 71 -9.962 10.665 4.183 1.00 0.00 C ATOM 782 NH1 ARG A 71 -10.726 11.338 3.371 1.00 0.00 N ATOM 783 NH2 ARG A 71 -9.030 11.320 4.812 1.00 0.00 N ATOM 0 H ARG A 71 -8.962 5.914 5.957 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.296 5.458 7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.260 7.234 6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.565 7.623 6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.112 6.667 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.840 6.461 3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.162 8.531 2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.164 8.923 4.135 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.423 8.907 4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.473 10.864 2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.577 12.339 3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.414 10.832 5.463 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.915 12.321 4.654 1.00 0.00 H new ATOM 797 N ASN A 72 -11.299 3.792 4.672 1.00 0.00 N ATOM 798 CA ASN A 72 -11.951 2.727 3.904 1.00 0.00 C ATOM 799 C ASN A 72 -11.883 1.336 4.580 1.00 0.00 C ATOM 800 O ASN A 72 -12.510 0.396 4.086 1.00 0.00 O ATOM 801 CB ASN A 72 -11.326 2.706 2.497 1.00 0.00 C ATOM 802 CG ASN A 72 -11.731 3.920 1.674 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.839 4.009 1.161 1.00 0.00 O ATOM 804 ND2 ASN A 72 -10.866 4.896 1.529 1.00 0.00 N ATOM 0 H ASN A 72 -10.341 3.968 4.368 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.017 2.948 3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.240 2.673 2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.632 1.798 1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.118 5.725 0.991 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.942 4.826 1.955 1.00 0.00 H new ATOM 811 N CYS A 73 -11.155 1.191 5.695 1.00 0.00 N ATOM 812 CA CYS A 73 -10.876 -0.087 6.364 1.00 0.00 C ATOM 813 C CYS A 73 -11.170 -0.088 7.888 1.00 0.00 C ATOM 814 O CYS A 73 -11.326 0.973 8.499 1.00 0.00 O ATOM 815 CB CYS A 73 -9.428 -0.472 6.017 1.00 0.00 C ATOM 816 SG CYS A 73 -9.346 -1.451 4.488 1.00 0.00 S ATOM 0 H CYS A 73 -10.730 1.986 6.172 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.566 -0.846 5.995 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.828 0.431 5.905 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.995 -1.042 6.839 1.00 0.00 H new ATOM 821 N PRO A 74 -11.285 -1.275 8.526 1.00 0.00 N ATOM 822 CA PRO A 74 -11.651 -1.401 9.944 1.00 0.00 C ATOM 823 C PRO A 74 -10.497 -1.156 10.938 1.00 0.00 C ATOM 824 O PRO A 74 -10.749 -1.067 12.145 1.00 0.00 O ATOM 825 CB PRO A 74 -12.197 -2.827 10.080 1.00 0.00 C ATOM 826 CG PRO A 74 -11.405 -3.603 9.031 1.00 0.00 C ATOM 827 CD PRO A 74 -11.286 -2.591 7.894 1.00 0.00 C ATOM 0 HA PRO A 74 -12.374 -0.628 10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.038 -3.226 11.082 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.269 -2.868 9.887 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.428 -3.910 9.405 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.925 -4.508 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.371 -2.751 7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.118 -2.688 7.196 1.00 0.00 H new ATOM 835 N GLY A 75 -9.246 -1.053 10.467 1.00 0.00 N ATOM 836 CA GLY A 75 -8.028 -0.868 11.282 1.00 0.00 C ATOM 837 C GLY A 75 -7.037 0.160 10.724 1.00 0.00 C ATOM 838 O GLY A 75 -7.480 1.187 10.165 1.00 0.00 O ATOM 839 OXT GLY A 75 -5.818 -0.052 10.906 1.00 0.00 O ATOM 0 H GLY A 75 -9.043 -1.098 9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.322 -0.562 12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.521 -1.828 11.377 1.00 0.00 H new