USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 401 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 20 ASN : amide:sc= 0.776 K(o=1.6,f=-2.2) USER MOD Set 1.2: A 21 THR OG1 : rot -74:sc= 0.853 USER MOD Single : A 1 ARG N :NH3+ -171:sc= 1.27 (180deg=1.12) USER MOD Single : A 4 TYR OH : rot -30:sc= 0.818 USER MOD Single : A 5 SER OG : rot 160:sc= 0 USER MOD Single : A 14 THR OG1 : rot -20:sc= 0.332 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -4:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ -127:sc= 1.25 (180deg=0.449) USER MOD Single : A 25 MET CE :methyl -158:sc= 0 (180deg=-0.0614) USER MOD Single : A 29 THR OG1 : rot 140:sc= 0.734 USER MOD Single : A 30 HIS : no HE2:sc= 0.913 K(o=0.91,f=-3.7!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -42:sc= 1.19 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00781 USER MOD Single : A 45 MET CE :methyl -173:sc= 0 (180deg=-0.0759) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.173 K(o=-0.17,f=-6.2!) USER MOD Single : A 50 THR OG1 : rot 170:sc= 1.11 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 1.9 K(o=1.9,f=-10!) USER MOD Single : A 60 LYS NZ :NH3+ -126:sc= -0.0551 (180deg=-0.956) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.777 3.820 0.144 1.00 0.00 N ATOM 2 CA ARG A 1 12.598 3.407 0.920 1.00 0.00 C ATOM 3 C ARG A 1 12.062 2.076 0.388 1.00 0.00 C ATOM 4 O ARG A 1 11.747 1.991 -0.796 1.00 0.00 O ATOM 5 CB ARG A 1 11.497 4.478 0.831 1.00 0.00 C ATOM 6 CG ARG A 1 10.185 4.084 1.529 1.00 0.00 C ATOM 7 CD ARG A 1 10.291 4.056 3.055 1.00 0.00 C ATOM 8 NE ARG A 1 10.271 5.415 3.609 1.00 0.00 N ATOM 9 CZ ARG A 1 11.092 5.953 4.523 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.145 5.299 5.030 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.817 7.191 4.941 1.00 0.00 N ATOM 0 H1 ARG A 1 14.225 4.639 0.602 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.456 3.034 0.100 1.00 0.00 H new ATOM 0 H3 ARG A 1 13.485 4.080 -0.820 1.00 0.00 H new ATOM 0 HA ARG A 1 12.893 3.287 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.868 5.403 1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.290 4.686 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.403 4.787 1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.876 3.100 1.176 1.00 0.00 H new ATOM 0 HD2 ARG A 1 9.465 3.478 3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.212 3.553 3.350 1.00 0.00 H new ATOM 0 HE ARG A 1 9.539 6.029 3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.351 4.349 4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.741 5.751 5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 1 10.009 7.688 4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.415 7.639 5.635 1.00 0.00 H new ATOM 27 N ILE A 2 11.996 1.037 1.221 1.00 0.00 N ATOM 28 CA ILE A 2 11.360 -0.225 0.857 1.00 0.00 C ATOM 29 C ILE A 2 9.867 -0.057 1.119 1.00 0.00 C ATOM 30 O ILE A 2 9.505 0.550 2.125 1.00 0.00 O ATOM 31 CB ILE A 2 11.910 -1.381 1.717 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.432 -1.546 1.578 1.00 0.00 C ATOM 33 CG2 ILE A 2 11.207 -2.700 1.351 1.00 0.00 C ATOM 34 CD1 ILE A 2 13.891 -1.735 0.134 1.00 0.00 C ATOM 0 H ILE A 2 12.382 1.048 2.165 1.00 0.00 H new ATOM 0 HA ILE A 2 11.559 -0.465 -0.187 1.00 0.00 H new ATOM 0 HB ILE A 2 11.703 -1.129 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.925 -0.669 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.753 -2.404 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.605 -3.507 1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.136 -2.603 1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.381 -2.925 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.975 -1.845 0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.425 -2.629 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.601 -0.866 -0.457 1.00 0.00 H new ATOM 46 N CYS A 3 9.003 -0.589 0.255 1.00 0.00 N ATOM 47 CA CYS A 3 7.561 -0.568 0.468 1.00 0.00 C ATOM 48 C CYS A 3 7.025 -1.936 0.084 1.00 0.00 C ATOM 49 O CYS A 3 7.545 -2.563 -0.836 1.00 0.00 O ATOM 50 CB CYS A 3 6.869 0.503 -0.384 1.00 0.00 C ATOM 51 SG CYS A 3 7.331 2.218 -0.036 1.00 0.00 S ATOM 0 H CYS A 3 9.286 -1.046 -0.612 1.00 0.00 H new ATOM 0 HA CYS A 3 7.359 -0.331 1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.081 0.297 -1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.792 0.404 -0.251 1.00 0.00 H new ATOM 56 N TYR A 4 6.009 -2.421 0.792 1.00 0.00 N ATOM 57 CA TYR A 4 5.358 -3.669 0.443 1.00 0.00 C ATOM 58 C TYR A 4 4.534 -3.425 -0.813 1.00 0.00 C ATOM 59 O TYR A 4 4.170 -2.280 -1.092 1.00 0.00 O ATOM 60 CB TYR A 4 4.486 -4.163 1.600 1.00 0.00 C ATOM 61 CG TYR A 4 5.235 -4.921 2.674 1.00 0.00 C ATOM 62 CD1 TYR A 4 5.626 -6.248 2.430 1.00 0.00 C ATOM 63 CD2 TYR A 4 5.470 -4.344 3.935 1.00 0.00 C ATOM 64 CE1 TYR A 4 6.216 -7.009 3.451 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.046 -5.112 4.962 1.00 0.00 C ATOM 66 CZ TYR A 4 6.413 -6.445 4.721 1.00 0.00 C ATOM 67 OH TYR A 4 7.035 -7.176 5.690 1.00 0.00 O ATOM 0 H TYR A 4 5.620 -1.961 1.615 1.00 0.00 H new ATOM 0 HA TYR A 4 6.097 -4.448 0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.991 -3.306 2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.703 -4.806 1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.472 -6.684 1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 4 5.208 -3.312 4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 4 6.518 -8.028 3.260 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.206 -4.676 5.937 1.00 0.00 H new ATOM 0 HH TYR A 4 6.852 -8.128 5.550 1.00 0.00 H new ATOM 77 N SER A 5 4.276 -4.495 -1.570 1.00 0.00 N ATOM 78 CA SER A 5 3.551 -4.439 -2.832 1.00 0.00 C ATOM 79 C SER A 5 2.381 -5.424 -2.865 1.00 0.00 C ATOM 80 O SER A 5 1.293 -5.071 -3.318 1.00 0.00 O ATOM 81 CB SER A 5 4.534 -4.739 -3.969 1.00 0.00 C ATOM 82 OG SER A 5 5.750 -4.053 -3.743 1.00 0.00 O ATOM 0 H SER A 5 4.572 -5.437 -1.315 1.00 0.00 H new ATOM 0 HA SER A 5 3.126 -3.442 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.717 -5.812 -4.031 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.105 -4.433 -4.923 1.00 0.00 H new ATOM 0 HG SER A 5 6.465 -4.476 -4.263 1.00 0.00 H new ATOM 215 N THR A 14 7.665 -7.069 -2.040 1.00 0.00 N ATOM 216 CA THR A 14 8.096 -5.719 -1.712 1.00 0.00 C ATOM 217 C THR A 14 8.779 -5.106 -2.930 1.00 0.00 C ATOM 218 O THR A 14 9.225 -5.843 -3.809 1.00 0.00 O ATOM 219 CB THR A 14 9.114 -5.774 -0.555 1.00 0.00 C ATOM 220 OG1 THR A 14 10.065 -6.800 -0.799 1.00 0.00 O ATOM 221 CG2 THR A 14 8.465 -6.056 0.798 1.00 0.00 C ATOM 0 HA THR A 14 7.232 -5.121 -1.421 1.00 0.00 H new ATOM 0 HB THR A 14 9.583 -4.791 -0.514 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.702 -7.434 -1.452 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.233 -6.082 1.571 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.746 -5.270 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.953 -7.017 0.762 1.00 0.00 H new ATOM 229 N LYS A 15 8.922 -3.781 -2.932 1.00 0.00 N ATOM 230 CA LYS A 15 9.601 -3.021 -3.970 1.00 0.00 C ATOM 231 C LYS A 15 10.448 -1.921 -3.322 1.00 0.00 C ATOM 232 O LYS A 15 10.159 -1.484 -2.206 1.00 0.00 O ATOM 233 CB LYS A 15 8.570 -2.443 -4.952 1.00 0.00 C ATOM 234 CG LYS A 15 7.656 -1.392 -4.307 1.00 0.00 C ATOM 235 CD LYS A 15 6.469 -1.017 -5.206 1.00 0.00 C ATOM 236 CE LYS A 15 6.915 -0.450 -6.558 1.00 0.00 C ATOM 237 NZ LYS A 15 5.773 0.109 -7.303 1.00 0.00 N ATOM 0 H LYS A 15 8.555 -3.192 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 15 10.267 -3.672 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.092 -1.994 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.959 -3.254 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.282 -1.774 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.237 -0.497 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.850 -1.899 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.847 -0.282 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.665 0.325 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.388 -1.236 -7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.104 0.486 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.070 -0.638 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.338 0.875 -6.749 1.00 0.00 H new ATOM 251 N THR A 16 11.497 -1.490 -4.026 1.00 0.00 N ATOM 252 CA THR A 16 12.411 -0.434 -3.613 1.00 0.00 C ATOM 253 C THR A 16 12.002 0.854 -4.327 1.00 0.00 C ATOM 254 O THR A 16 11.785 0.835 -5.536 1.00 0.00 O ATOM 255 CB THR A 16 13.843 -0.844 -3.986 1.00 0.00 C ATOM 256 OG1 THR A 16 14.096 -2.147 -3.500 1.00 0.00 O ATOM 257 CG2 THR A 16 14.882 0.115 -3.394 1.00 0.00 C ATOM 0 H THR A 16 11.739 -1.886 -4.935 1.00 0.00 H new ATOM 0 HA THR A 16 12.370 -0.272 -2.536 1.00 0.00 H new ATOM 0 HB THR A 16 13.928 -0.811 -5.072 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.009 -2.413 -3.738 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.882 -0.210 -3.681 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.705 1.122 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.799 0.116 -2.307 1.00 0.00 H new ATOM 265 N CYS A 17 11.906 1.964 -3.592 1.00 0.00 N ATOM 266 CA CYS A 17 11.478 3.254 -4.116 1.00 0.00 C ATOM 267 C CYS A 17 12.275 4.382 -3.474 1.00 0.00 C ATOM 268 O CYS A 17 12.937 4.182 -2.454 1.00 0.00 O ATOM 269 CB CYS A 17 9.996 3.440 -3.796 1.00 0.00 C ATOM 270 SG CYS A 17 8.895 2.443 -4.815 1.00 0.00 S ATOM 0 H CYS A 17 12.129 1.987 -2.597 1.00 0.00 H new ATOM 0 HA CYS A 17 11.644 3.279 -5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.827 3.193 -2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.737 4.491 -3.921 1.00 0.00 H new ATOM 275 N VAL A 18 12.200 5.575 -4.068 1.00 0.00 N ATOM 276 CA VAL A 18 12.867 6.768 -3.577 1.00 0.00 C ATOM 277 C VAL A 18 11.955 7.526 -2.608 1.00 0.00 C ATOM 278 O VAL A 18 12.428 8.044 -1.599 1.00 0.00 O ATOM 279 CB VAL A 18 13.295 7.651 -4.762 1.00 0.00 C ATOM 280 CG1 VAL A 18 14.499 7.026 -5.478 1.00 0.00 C ATOM 281 CG2 VAL A 18 12.204 7.966 -5.796 1.00 0.00 C ATOM 0 H VAL A 18 11.662 5.735 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 18 13.764 6.482 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 18 13.546 8.609 -4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 18 14.793 7.659 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 18 15.331 6.937 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 18 14.229 6.037 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.620 8.594 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.835 7.037 -6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.382 8.491 -5.309 1.00 0.00 H new ATOM 291 N GLU A 19 10.657 7.584 -2.922 1.00 0.00 N ATOM 292 CA GLU A 19 9.640 8.282 -2.145 1.00 0.00 C ATOM 293 C GLU A 19 9.763 7.969 -0.656 1.00 0.00 C ATOM 294 O GLU A 19 9.939 6.818 -0.265 1.00 0.00 O ATOM 295 CB GLU A 19 8.222 7.914 -2.615 1.00 0.00 C ATOM 296 CG GLU A 19 8.005 8.207 -4.104 1.00 0.00 C ATOM 297 CD GLU A 19 8.239 6.986 -4.993 1.00 0.00 C ATOM 298 OE1 GLU A 19 9.425 6.656 -5.215 1.00 0.00 O ATOM 299 OE2 GLU A 19 7.226 6.395 -5.422 1.00 0.00 O ATOM 0 H GLU A 19 10.278 7.130 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 19 9.806 9.348 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.043 6.856 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.492 8.471 -2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.988 8.568 -4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.676 9.008 -4.413 1.00 0.00 H new ATOM 306 N ASN A 20 9.620 9.002 0.173 1.00 0.00 N ATOM 307 CA ASN A 20 9.699 8.876 1.620 1.00 0.00 C ATOM 308 C ASN A 20 8.505 8.115 2.196 1.00 0.00 C ATOM 309 O ASN A 20 8.563 7.713 3.358 1.00 0.00 O ATOM 310 CB ASN A 20 9.755 10.273 2.259 1.00 0.00 C ATOM 311 CG ASN A 20 8.399 10.987 2.242 1.00 0.00 C ATOM 312 OD1 ASN A 20 7.619 10.848 1.301 1.00 0.00 O ATOM 313 ND2 ASN A 20 8.088 11.744 3.289 1.00 0.00 N ATOM 0 H ASN A 20 9.445 9.955 -0.147 1.00 0.00 H new ATOM 0 HA ASN A 20 10.604 8.313 1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.101 10.183 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.488 10.881 1.729 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.188 12.223 3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.749 11.846 4.059 1.00 0.00 H new ATOM 320 N THR A 21 7.426 7.949 1.425 1.00 0.00 N ATOM 321 CA THR A 21 6.192 7.353 1.897 1.00 0.00 C ATOM 322 C THR A 21 5.809 6.124 1.078 1.00 0.00 C ATOM 323 O THR A 21 6.133 6.023 -0.107 1.00 0.00 O ATOM 324 CB THR A 21 5.086 8.419 1.804 1.00 0.00 C ATOM 325 OG1 THR A 21 5.321 9.276 0.698 1.00 0.00 O ATOM 326 CG2 THR A 21 5.033 9.274 3.072 1.00 0.00 C ATOM 0 H THR A 21 7.394 8.231 0.445 1.00 0.00 H new ATOM 0 HA THR A 21 6.324 7.020 2.927 1.00 0.00 H new ATOM 0 HB THR A 21 4.138 7.895 1.682 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.057 9.887 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.242 10.018 2.976 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.829 8.637 3.932 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.990 9.777 3.212 1.00 0.00 H new ATOM 334 N CYS A 22 5.097 5.205 1.731 1.00 0.00 N ATOM 335 CA CYS A 22 4.489 4.027 1.149 1.00 0.00 C ATOM 336 C CYS A 22 2.996 4.157 1.401 1.00 0.00 C ATOM 337 O CYS A 22 2.561 5.006 2.185 1.00 0.00 O ATOM 338 CB CYS A 22 4.970 2.717 1.786 1.00 0.00 C ATOM 339 SG CYS A 22 6.751 2.469 1.942 1.00 0.00 S ATOM 0 H CYS A 22 4.925 5.274 2.734 1.00 0.00 H new ATOM 0 HA CYS A 22 4.756 3.978 0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.532 2.647 2.782 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.566 1.891 1.201 1.00 0.00 H new ATOM 344 N TYR A 23 2.213 3.302 0.754 1.00 0.00 N ATOM 345 CA TYR A 23 0.783 3.248 0.953 1.00 0.00 C ATOM 346 C TYR A 23 0.313 1.819 0.899 1.00 0.00 C ATOM 347 O TYR A 23 1.020 0.920 0.422 1.00 0.00 O ATOM 348 CB TYR A 23 0.035 4.024 -0.129 1.00 0.00 C ATOM 349 CG TYR A 23 0.085 3.431 -1.533 1.00 0.00 C ATOM 350 CD1 TYR A 23 -0.905 2.517 -1.948 1.00 0.00 C ATOM 351 CD2 TYR A 23 1.061 3.851 -2.454 1.00 0.00 C ATOM 352 CE1 TYR A 23 -0.922 2.028 -3.265 1.00 0.00 C ATOM 353 CE2 TYR A 23 0.993 3.424 -3.793 1.00 0.00 C ATOM 354 CZ TYR A 23 0.014 2.503 -4.197 1.00 0.00 C ATOM 355 OH TYR A 23 0.011 2.051 -5.482 1.00 0.00 O ATOM 0 H TYR A 23 2.561 2.626 0.074 1.00 0.00 H new ATOM 0 HA TYR A 23 0.576 3.693 1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.010 4.110 0.170 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.440 5.035 -0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.658 2.189 -1.246 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.862 4.501 -2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.653 1.289 -3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.699 3.808 -4.515 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.671 1.354 -5.582 1.00 0.00 H new ATOM 365 N LYS A 24 -0.927 1.686 1.353 1.00 0.00 N ATOM 366 CA LYS A 24 -1.706 0.480 1.224 1.00 0.00 C ATOM 367 C LYS A 24 -3.101 0.908 0.786 1.00 0.00 C ATOM 368 O LYS A 24 -3.710 1.794 1.390 1.00 0.00 O ATOM 369 CB LYS A 24 -1.653 -0.378 2.497 1.00 0.00 C ATOM 370 CG LYS A 24 -2.330 0.250 3.715 1.00 0.00 C ATOM 371 CD LYS A 24 -2.105 -0.589 4.981 1.00 0.00 C ATOM 372 CE LYS A 24 -0.675 -0.444 5.515 1.00 0.00 C ATOM 373 NZ LYS A 24 -0.504 -1.108 6.819 1.00 0.00 N ATOM 0 H LYS A 24 -1.423 2.438 1.832 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.297 -0.190 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.124 -1.339 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.610 -0.579 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.940 1.256 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.399 0.348 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.813 -0.282 5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.307 -1.638 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.025 -0.870 4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.429 0.614 5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.101 -0.434 7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.428 -1.439 7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.138 -1.920 6.714 1.00 0.00 H new ATOM 387 N MET A 25 -3.535 0.341 -0.339 1.00 0.00 N ATOM 388 CA MET A 25 -4.825 0.592 -0.950 1.00 0.00 C ATOM 389 C MET A 25 -5.725 -0.596 -0.648 1.00 0.00 C ATOM 390 O MET A 25 -5.328 -1.747 -0.833 1.00 0.00 O ATOM 391 CB MET A 25 -4.690 0.827 -2.450 1.00 0.00 C ATOM 392 CG MET A 25 -6.025 1.264 -3.073 1.00 0.00 C ATOM 393 SD MET A 25 -5.946 1.827 -4.793 1.00 0.00 S ATOM 394 CE MET A 25 -5.909 0.245 -5.661 1.00 0.00 C ATOM 0 H MET A 25 -2.972 -0.329 -0.863 1.00 0.00 H new ATOM 0 HA MET A 25 -5.264 1.500 -0.537 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.934 1.591 -2.633 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.343 -0.087 -2.933 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.722 0.428 -3.016 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.442 2.068 -2.466 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.478 0.384 -6.653 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.303 -0.465 -5.098 1.00 0.00 H new ATOM 0 HE3 MET A 25 -6.924 -0.141 -5.757 1.00 0.00 H new ATOM 404 N PHE A 26 -6.940 -0.311 -0.196 1.00 0.00 N ATOM 405 CA PHE A 26 -7.949 -1.270 0.202 1.00 0.00 C ATOM 406 C PHE A 26 -9.284 -0.857 -0.392 1.00 0.00 C ATOM 407 O PHE A 26 -9.437 0.281 -0.840 1.00 0.00 O ATOM 408 CB PHE A 26 -8.033 -1.285 1.734 1.00 0.00 C ATOM 409 CG PHE A 26 -8.138 0.098 2.354 1.00 0.00 C ATOM 410 CD1 PHE A 26 -6.969 0.833 2.623 1.00 0.00 C ATOM 411 CD2 PHE A 26 -9.393 0.696 2.574 1.00 0.00 C ATOM 412 CE1 PHE A 26 -7.059 2.114 3.186 1.00 0.00 C ATOM 413 CE2 PHE A 26 -9.475 1.929 3.237 1.00 0.00 C ATOM 414 CZ PHE A 26 -8.304 2.629 3.564 1.00 0.00 C ATOM 0 H PHE A 26 -7.260 0.652 -0.094 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.693 -2.267 -0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.898 -1.875 2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.151 -1.786 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.002 0.410 2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.292 0.205 2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.166 2.704 3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.440 2.340 3.496 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.363 3.562 4.105 1.00 0.00 H new ATOM 424 N ILE A 27 -10.256 -1.770 -0.407 1.00 0.00 N ATOM 425 CA ILE A 27 -11.589 -1.408 -0.859 1.00 0.00 C ATOM 426 C ILE A 27 -12.177 -0.554 0.264 1.00 0.00 C ATOM 427 O ILE A 27 -12.290 -0.993 1.404 1.00 0.00 O ATOM 428 CB ILE A 27 -12.418 -2.657 -1.211 1.00 0.00 C ATOM 429 CG1 ILE A 27 -11.933 -3.168 -2.578 1.00 0.00 C ATOM 430 CG2 ILE A 27 -13.924 -2.354 -1.295 1.00 0.00 C ATOM 431 CD1 ILE A 27 -12.627 -4.458 -3.015 1.00 0.00 C ATOM 0 H ILE A 27 -10.145 -2.742 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.582 -0.838 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.280 -3.400 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.105 -2.397 -3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.857 -3.337 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.465 -3.266 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.274 -1.977 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -14.102 -1.603 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.242 -4.767 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.434 -5.241 -2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.701 -4.287 -3.088 1.00 0.00 H new ATOM 443 N ARG A 28 -12.520 0.687 -0.064 1.00 0.00 N ATOM 444 CA ARG A 28 -13.019 1.713 0.840 1.00 0.00 C ATOM 445 C ARG A 28 -14.100 1.171 1.772 1.00 0.00 C ATOM 446 O ARG A 28 -14.019 1.318 2.990 1.00 0.00 O ATOM 447 CB ARG A 28 -13.532 2.854 -0.039 1.00 0.00 C ATOM 448 CG ARG A 28 -13.848 4.167 0.681 1.00 0.00 C ATOM 449 CD ARG A 28 -14.262 5.216 -0.366 1.00 0.00 C ATOM 450 NE ARG A 28 -13.861 6.577 0.021 1.00 0.00 N ATOM 451 CZ ARG A 28 -12.806 7.256 -0.460 1.00 0.00 C ATOM 452 NH1 ARG A 28 -11.909 6.681 -1.268 1.00 0.00 N ATOM 453 NH2 ARG A 28 -12.635 8.532 -0.103 1.00 0.00 N ATOM 0 H ARG A 28 -12.453 1.022 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.228 2.067 1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.788 3.055 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.434 2.516 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.650 4.018 1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.977 4.512 1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.811 4.966 -1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.343 5.183 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.437 7.049 0.719 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.016 5.702 -1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.118 7.221 -1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.301 8.979 0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.838 9.059 -0.461 1.00 0.00 H new ATOM 467 N THR A 29 -15.099 0.516 1.184 1.00 0.00 N ATOM 468 CA THR A 29 -16.237 -0.063 1.881 1.00 0.00 C ATOM 469 C THR A 29 -15.983 -1.524 2.300 1.00 0.00 C ATOM 470 O THR A 29 -16.935 -2.263 2.536 1.00 0.00 O ATOM 471 CB THR A 29 -17.462 0.107 0.959 1.00 0.00 C ATOM 472 OG1 THR A 29 -17.106 -0.100 -0.401 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.002 1.535 1.073 1.00 0.00 C ATOM 0 H THR A 29 -15.136 0.371 0.175 1.00 0.00 H new ATOM 0 HA THR A 29 -16.416 0.453 2.824 1.00 0.00 H new ATOM 0 HB THR A 29 -18.209 -0.624 1.267 1.00 0.00 H new ATOM 0 HG1 THR A 29 -17.815 -0.604 -0.852 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.867 1.650 0.420 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.297 1.731 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.227 2.242 0.776 1.00 0.00 H new ATOM 481 N HIS A 30 -14.716 -1.945 2.408 1.00 0.00 N ATOM 482 CA HIS A 30 -14.296 -3.284 2.821 1.00 0.00 C ATOM 483 C HIS A 30 -12.812 -3.187 3.202 1.00 0.00 C ATOM 484 O HIS A 30 -11.953 -3.914 2.704 1.00 0.00 O ATOM 485 CB HIS A 30 -14.567 -4.278 1.685 1.00 0.00 C ATOM 486 CG HIS A 30 -14.169 -5.710 1.931 1.00 0.00 C ATOM 487 ND1 HIS A 30 -13.947 -6.250 3.190 1.00 0.00 N ATOM 488 CD2 HIS A 30 -13.928 -6.733 1.048 1.00 0.00 C ATOM 489 CE1 HIS A 30 -13.613 -7.539 3.013 1.00 0.00 C ATOM 490 NE2 HIS A 30 -13.589 -7.899 1.728 1.00 0.00 N ATOM 0 H HIS A 30 -13.926 -1.334 2.201 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.855 -3.651 3.682 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -15.633 -4.255 1.460 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -14.045 -3.928 0.794 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -14.023 -5.760 4.082 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -13.993 -6.645 -0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.387 -8.214 3.826 1.00 0.00 H new ATOM 498 N ARG A 31 -12.543 -2.263 4.128 1.00 0.00 N ATOM 499 CA ARG A 31 -11.231 -1.864 4.619 1.00 0.00 C ATOM 500 C ARG A 31 -10.289 -3.039 4.900 1.00 0.00 C ATOM 501 O ARG A 31 -9.076 -2.914 4.751 1.00 0.00 O ATOM 502 CB ARG A 31 -11.411 -1.013 5.887 1.00 0.00 C ATOM 503 CG ARG A 31 -12.400 0.150 5.697 1.00 0.00 C ATOM 504 CD ARG A 31 -12.391 1.104 6.897 1.00 0.00 C ATOM 505 NE ARG A 31 -11.193 1.953 6.919 1.00 0.00 N ATOM 506 CZ ARG A 31 -11.020 3.049 6.166 1.00 0.00 C ATOM 507 NH1 ARG A 31 -11.936 3.422 5.266 1.00 0.00 N ATOM 508 NH2 ARG A 31 -9.914 3.784 6.295 1.00 0.00 N ATOM 0 H ARG A 31 -13.292 -1.741 4.583 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.755 -1.288 3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.761 -1.651 6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.443 -0.613 6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.144 0.701 4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.405 -0.247 5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.280 1.733 6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.442 0.526 7.820 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.438 1.690 7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.785 2.870 5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.786 4.259 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.197 3.513 6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.785 4.617 5.721 1.00 0.00 H new ATOM 522 N GLU A 32 -10.844 -4.182 5.304 1.00 0.00 N ATOM 523 CA GLU A 32 -10.098 -5.375 5.659 1.00 0.00 C ATOM 524 C GLU A 32 -9.248 -5.939 4.533 1.00 0.00 C ATOM 525 O GLU A 32 -8.182 -6.518 4.734 1.00 0.00 O ATOM 526 CB GLU A 32 -11.066 -6.446 6.177 1.00 0.00 C ATOM 527 CG GLU A 32 -11.987 -5.993 7.325 1.00 0.00 C ATOM 528 CD GLU A 32 -13.201 -5.160 6.908 1.00 0.00 C ATOM 529 OE1 GLU A 32 -13.459 -5.076 5.684 1.00 0.00 O ATOM 530 OE2 GLU A 32 -13.845 -4.604 7.822 1.00 0.00 O ATOM 0 H GLU A 32 -11.853 -4.300 5.394 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.395 -5.078 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.686 -6.786 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.486 -7.305 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.340 -6.878 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.396 -5.412 8.034 1.00 0.00 H new ATOM 537 N TYR A 33 -9.783 -5.777 3.345 1.00 0.00 N ATOM 538 CA TYR A 33 -9.199 -6.270 2.110 1.00 0.00 C ATOM 539 C TYR A 33 -8.186 -5.273 1.547 1.00 0.00 C ATOM 540 O TYR A 33 -8.561 -4.307 0.878 1.00 0.00 O ATOM 541 CB TYR A 33 -10.302 -6.581 1.093 1.00 0.00 C ATOM 542 CG TYR A 33 -9.761 -7.039 -0.251 1.00 0.00 C ATOM 543 CD1 TYR A 33 -9.097 -8.275 -0.364 1.00 0.00 C ATOM 544 CD2 TYR A 33 -9.823 -6.181 -1.362 1.00 0.00 C ATOM 545 CE1 TYR A 33 -8.494 -8.643 -1.580 1.00 0.00 C ATOM 546 CE2 TYR A 33 -9.236 -6.556 -2.582 1.00 0.00 C ATOM 547 CZ TYR A 33 -8.556 -7.781 -2.687 1.00 0.00 C ATOM 548 OH TYR A 33 -7.953 -8.134 -3.859 1.00 0.00 O ATOM 0 H TYR A 33 -10.664 -5.284 3.202 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.661 -7.194 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.954 -7.355 1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.915 -5.692 0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.051 -8.942 0.484 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.325 -5.228 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.982 -9.590 -1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.307 -5.903 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.091 -7.427 -4.524 1.00 0.00 H new ATOM 558 N ILE A 34 -6.894 -5.544 1.765 1.00 0.00 N ATOM 559 CA ILE A 34 -5.826 -4.741 1.189 1.00 0.00 C ATOM 560 C ILE A 34 -5.726 -5.221 -0.257 1.00 0.00 C ATOM 561 O ILE A 34 -5.398 -6.380 -0.514 1.00 0.00 O ATOM 562 CB ILE A 34 -4.494 -4.914 1.941 1.00 0.00 C ATOM 563 CG1 ILE A 34 -4.639 -4.728 3.464 1.00 0.00 C ATOM 564 CG2 ILE A 34 -3.462 -3.925 1.377 1.00 0.00 C ATOM 565 CD1 ILE A 34 -5.313 -3.420 3.892 1.00 0.00 C ATOM 0 H ILE A 34 -6.568 -6.320 2.341 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.040 -3.674 1.257 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.158 -5.939 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.213 -5.564 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.649 -4.775 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.517 -4.044 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.311 -4.123 0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.826 -2.906 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.370 -3.379 4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.730 -2.574 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.319 -3.375 3.474 1.00 0.00 H new ATOM 577 N SER A 35 -6.070 -4.321 -1.174 1.00 0.00 N ATOM 578 CA SER A 35 -6.187 -4.508 -2.607 1.00 0.00 C ATOM 579 C SER A 35 -4.856 -4.409 -3.337 1.00 0.00 C ATOM 580 O SER A 35 -4.634 -5.120 -4.312 1.00 0.00 O ATOM 581 CB SER A 35 -7.102 -3.400 -3.122 1.00 0.00 C ATOM 582 OG SER A 35 -8.357 -3.474 -2.476 1.00 0.00 O ATOM 0 H SER A 35 -6.292 -3.362 -0.905 1.00 0.00 H new ATOM 0 HA SER A 35 -6.575 -5.510 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.647 -2.426 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.232 -3.495 -4.200 1.00 0.00 H new ATOM 0 HG SER A 35 -8.637 -4.411 -2.411 1.00 0.00 H new ATOM 588 N GLU A 36 -4.016 -3.469 -2.914 1.00 0.00 N ATOM 589 CA GLU A 36 -2.709 -3.219 -3.505 1.00 0.00 C ATOM 590 C GLU A 36 -1.874 -2.462 -2.477 1.00 0.00 C ATOM 591 O GLU A 36 -2.431 -1.912 -1.531 1.00 0.00 O ATOM 592 CB GLU A 36 -2.903 -2.362 -4.769 1.00 0.00 C ATOM 593 CG GLU A 36 -1.664 -2.198 -5.661 1.00 0.00 C ATOM 594 CD GLU A 36 -1.886 -1.089 -6.682 1.00 0.00 C ATOM 595 OE1 GLU A 36 -1.697 0.084 -6.286 1.00 0.00 O ATOM 596 OE2 GLU A 36 -2.256 -1.427 -7.827 1.00 0.00 O ATOM 0 H GLU A 36 -4.231 -2.848 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.207 -4.147 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.701 -2.804 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.243 -1.372 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.794 -1.966 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.451 -3.136 -6.174 1.00 0.00 H new ATOM 603 N ARG A 37 -0.556 -2.421 -2.647 1.00 0.00 N ATOM 604 CA ARG A 37 0.329 -1.606 -1.838 1.00 0.00 C ATOM 605 C ARG A 37 1.356 -0.974 -2.761 1.00 0.00 C ATOM 606 O ARG A 37 1.594 -1.489 -3.854 1.00 0.00 O ATOM 607 CB ARG A 37 1.013 -2.440 -0.758 1.00 0.00 C ATOM 608 CG ARG A 37 0.151 -2.559 0.483 1.00 0.00 C ATOM 609 CD ARG A 37 0.823 -3.357 1.584 1.00 0.00 C ATOM 610 NE ARG A 37 0.760 -4.799 1.344 1.00 0.00 N ATOM 611 CZ ARG A 37 0.868 -5.690 2.335 1.00 0.00 C ATOM 612 NH1 ARG A 37 1.323 -5.297 3.527 1.00 0.00 N ATOM 613 NH2 ARG A 37 0.506 -6.951 2.103 1.00 0.00 N ATOM 0 H ARG A 37 -0.071 -2.963 -3.362 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.245 -0.833 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.230 -3.434 -1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.968 -1.985 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.085 -1.562 0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.794 -3.034 0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.866 -3.050 1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.347 -3.129 2.537 1.00 0.00 H new ATOM 0 HE ARG A 37 0.629 -5.135 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.585 -4.323 3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.408 -5.971 4.288 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.155 -7.220 1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.580 -7.647 2.845 1.00 0.00 H new ATOM 627 N GLY A 38 1.942 0.149 -2.344 1.00 0.00 N ATOM 628 CA GLY A 38 2.931 0.791 -3.196 1.00 0.00 C ATOM 629 C GLY A 38 3.650 1.953 -2.527 1.00 0.00 C ATOM 630 O GLY A 38 3.643 2.072 -1.304 1.00 0.00 O ATOM 0 H GLY A 38 1.756 0.615 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.667 0.049 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.440 1.151 -4.100 1.00 0.00 H new ATOM 634 N CYS A 39 4.259 2.808 -3.356 1.00 0.00 N ATOM 635 CA CYS A 39 5.105 3.927 -2.980 1.00 0.00 C ATOM 636 C CYS A 39 4.464 5.275 -3.306 1.00 0.00 C ATOM 637 O CYS A 39 3.635 5.356 -4.207 1.00 0.00 O ATOM 638 CB CYS A 39 6.394 3.799 -3.784 1.00 0.00 C ATOM 639 SG CYS A 39 7.259 2.235 -3.572 1.00 0.00 S ATOM 0 H CYS A 39 4.163 2.725 -4.368 1.00 0.00 H new ATOM 0 HA CYS A 39 5.274 3.897 -1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.162 3.930 -4.841 1.00 0.00 H new ATOM 0 HB3 CYS A 39 7.064 4.611 -3.502 1.00 0.00 H new ATOM 644 N GLY A 40 4.865 6.329 -2.584 1.00 0.00 N ATOM 645 CA GLY A 40 4.420 7.705 -2.787 1.00 0.00 C ATOM 646 C GLY A 40 2.915 7.831 -2.954 1.00 0.00 C ATOM 647 O GLY A 40 2.365 8.203 -3.988 1.00 0.00 O ATOM 0 H GLY A 40 5.531 6.239 -1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.736 8.311 -1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.912 8.112 -3.670 1.00 0.00 H new ATOM 651 N CYS A 41 2.310 7.500 -1.840 1.00 0.00 N ATOM 652 CA CYS A 41 0.889 7.405 -1.530 1.00 0.00 C ATOM 653 C CYS A 41 -0.033 8.332 -2.337 1.00 0.00 C ATOM 654 O CYS A 41 -0.157 9.508 -1.998 1.00 0.00 O ATOM 655 CB CYS A 41 0.714 7.687 -0.043 1.00 0.00 C ATOM 656 SG CYS A 41 -0.972 7.384 0.524 1.00 0.00 S ATOM 0 H CYS A 41 2.867 7.259 -1.020 1.00 0.00 H new ATOM 0 HA CYS A 41 0.582 6.398 -1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.403 7.062 0.526 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.982 8.724 0.161 1.00 0.00 H new ATOM 661 N PRO A 42 -0.713 7.817 -3.378 1.00 0.00 N ATOM 662 CA PRO A 42 -1.664 8.584 -4.159 1.00 0.00 C ATOM 663 C PRO A 42 -3.064 8.490 -3.548 1.00 0.00 C ATOM 664 O PRO A 42 -3.335 7.669 -2.670 1.00 0.00 O ATOM 665 CB PRO A 42 -1.645 7.949 -5.547 1.00 0.00 C ATOM 666 CG PRO A 42 -1.395 6.472 -5.234 1.00 0.00 C ATOM 667 CD PRO A 42 -0.532 6.499 -3.969 1.00 0.00 C ATOM 0 HA PRO A 42 -1.405 9.642 -4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.587 8.098 -6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.859 8.369 -6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.329 5.936 -5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.882 5.972 -6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.836 5.716 -3.274 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.516 6.322 -4.210 1.00 0.00 H new ATOM 675 N THR A 43 -3.969 9.331 -4.043 1.00 0.00 N ATOM 676 CA THR A 43 -5.365 9.354 -3.630 1.00 0.00 C ATOM 677 C THR A 43 -6.123 8.225 -4.341 1.00 0.00 C ATOM 678 O THR A 43 -5.685 7.747 -5.387 1.00 0.00 O ATOM 679 CB THR A 43 -5.957 10.727 -3.990 1.00 0.00 C ATOM 680 OG1 THR A 43 -4.971 11.726 -3.813 1.00 0.00 O ATOM 681 CG2 THR A 43 -7.168 11.081 -3.121 1.00 0.00 C ATOM 0 H THR A 43 -3.746 10.027 -4.755 1.00 0.00 H new ATOM 0 HA THR A 43 -5.453 9.199 -2.555 1.00 0.00 H new ATOM 0 HB THR A 43 -6.284 10.677 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.347 12.601 -4.044 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.551 12.059 -3.412 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.946 10.330 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.869 11.106 -2.073 1.00 0.00 H new ATOM 689 N ALA A 44 -7.266 7.808 -3.791 1.00 0.00 N ATOM 690 CA ALA A 44 -8.117 6.775 -4.364 1.00 0.00 C ATOM 691 C ALA A 44 -9.563 7.074 -3.969 1.00 0.00 C ATOM 692 O ALA A 44 -9.804 7.604 -2.882 1.00 0.00 O ATOM 693 CB ALA A 44 -7.666 5.398 -3.870 1.00 0.00 C ATOM 0 H ALA A 44 -7.629 8.190 -2.917 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.042 6.769 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.306 4.629 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.634 5.223 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.736 5.360 -2.783 1.00 0.00 H new ATOM 699 N MET A 45 -10.504 6.782 -4.871 1.00 0.00 N ATOM 700 CA MET A 45 -11.929 6.999 -4.725 1.00 0.00 C ATOM 701 C MET A 45 -12.652 5.652 -4.765 1.00 0.00 C ATOM 702 O MET A 45 -12.076 4.656 -5.212 1.00 0.00 O ATOM 703 CB MET A 45 -12.386 7.890 -5.881 1.00 0.00 C ATOM 704 CG MET A 45 -11.815 9.309 -5.759 1.00 0.00 C ATOM 705 SD MET A 45 -12.443 10.510 -6.963 1.00 0.00 S ATOM 706 CE MET A 45 -11.835 9.786 -8.503 1.00 0.00 C ATOM 0 H MET A 45 -10.268 6.364 -5.771 1.00 0.00 H new ATOM 0 HA MET A 45 -12.157 7.481 -3.775 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.071 7.450 -6.827 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.475 7.935 -5.898 1.00 0.00 H new ATOM 0 HG2 MET A 45 -12.026 9.682 -4.757 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.731 9.255 -5.858 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.030 10.470 -9.329 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.762 9.610 -8.424 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.345 8.840 -8.687 1.00 0.00 H new ATOM 716 N TRP A 46 -13.916 5.629 -4.317 1.00 0.00 N ATOM 717 CA TRP A 46 -14.738 4.428 -4.289 1.00 0.00 C ATOM 718 C TRP A 46 -14.644 3.722 -5.654 1.00 0.00 C ATOM 719 O TRP A 46 -14.733 4.397 -6.679 1.00 0.00 O ATOM 720 CB TRP A 46 -16.190 4.813 -3.963 1.00 0.00 C ATOM 721 CG TRP A 46 -17.069 3.703 -3.476 1.00 0.00 C ATOM 722 CD1 TRP A 46 -16.863 2.917 -2.399 1.00 0.00 C ATOM 723 CD2 TRP A 46 -18.321 3.253 -4.043 1.00 0.00 C ATOM 724 NE1 TRP A 46 -17.831 1.937 -2.325 1.00 0.00 N ATOM 725 CE2 TRP A 46 -18.781 2.118 -3.314 1.00 0.00 C ATOM 726 CE3 TRP A 46 -19.109 3.716 -5.106 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -19.964 1.448 -3.660 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -20.301 3.057 -5.462 1.00 0.00 C ATOM 729 CH2 TRP A 46 -20.723 1.921 -4.745 1.00 0.00 C ATOM 0 H TRP A 46 -14.394 6.457 -3.962 1.00 0.00 H new ATOM 0 HA TRP A 46 -14.384 3.743 -3.519 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -16.176 5.597 -3.206 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -16.641 5.241 -4.858 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -16.054 3.038 -1.694 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -17.844 1.184 -1.637 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -18.798 4.590 -5.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -20.287 0.582 -3.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -20.893 3.424 -6.287 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -21.632 1.412 -5.029 1.00 0.00 H new ATOM 740 N PRO A 47 -14.458 2.394 -5.709 1.00 0.00 N ATOM 741 CA PRO A 47 -14.499 1.452 -4.601 1.00 0.00 C ATOM 742 C PRO A 47 -13.244 1.418 -3.721 1.00 0.00 C ATOM 743 O PRO A 47 -13.275 0.742 -2.697 1.00 0.00 O ATOM 744 CB PRO A 47 -14.718 0.089 -5.262 1.00 0.00 C ATOM 745 CG PRO A 47 -13.987 0.237 -6.595 1.00 0.00 C ATOM 746 CD PRO A 47 -14.294 1.687 -6.969 1.00 0.00 C ATOM 0 HA PRO A 47 -15.286 1.749 -3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.305 -0.722 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.777 -0.126 -5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.916 0.060 -6.495 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -14.357 -0.464 -7.343 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.485 2.119 -7.557 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -15.198 1.752 -7.575 1.00 0.00 H new ATOM 754 N TYR A 48 -12.161 2.129 -4.054 1.00 0.00 N ATOM 755 CA TYR A 48 -10.915 2.046 -3.299 1.00 0.00 C ATOM 756 C TYR A 48 -10.663 3.232 -2.379 1.00 0.00 C ATOM 757 O TYR A 48 -11.263 4.298 -2.505 1.00 0.00 O ATOM 758 CB TYR A 48 -9.737 1.958 -4.275 1.00 0.00 C ATOM 759 CG TYR A 48 -9.724 0.679 -5.089 1.00 0.00 C ATOM 760 CD1 TYR A 48 -9.547 -0.563 -4.451 1.00 0.00 C ATOM 761 CD2 TYR A 48 -9.969 0.723 -6.475 1.00 0.00 C ATOM 762 CE1 TYR A 48 -9.635 -1.753 -5.192 1.00 0.00 C ATOM 763 CE2 TYR A 48 -10.032 -0.468 -7.218 1.00 0.00 C ATOM 764 CZ TYR A 48 -9.871 -1.707 -6.574 1.00 0.00 C ATOM 765 OH TYR A 48 -9.939 -2.867 -7.285 1.00 0.00 O ATOM 0 H TYR A 48 -12.127 2.770 -4.846 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.007 1.159 -2.672 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.772 2.811 -4.953 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.805 2.033 -3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.343 -0.601 -3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.109 1.674 -6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.521 -2.706 -4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.204 -0.431 -8.284 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.109 -2.663 -8.228 1.00 0.00 H new ATOM 775 N GLN A 49 -9.752 3.015 -1.433 1.00 0.00 N ATOM 776 CA GLN A 49 -9.194 4.042 -0.578 1.00 0.00 C ATOM 777 C GLN A 49 -7.780 3.632 -0.228 1.00 0.00 C ATOM 778 O GLN A 49 -7.465 2.453 -0.105 1.00 0.00 O ATOM 779 CB GLN A 49 -10.024 4.292 0.661 1.00 0.00 C ATOM 780 CG GLN A 49 -9.434 5.311 1.649 1.00 0.00 C ATOM 781 CD GLN A 49 -10.421 5.655 2.762 1.00 0.00 C ATOM 782 OE1 GLN A 49 -10.249 5.269 3.915 1.00 0.00 O ATOM 783 NE2 GLN A 49 -11.482 6.384 2.438 1.00 0.00 N ATOM 0 H GLN A 49 -9.374 2.087 -1.240 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.194 4.991 -1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.011 4.637 0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.165 3.345 1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.520 4.908 2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.158 6.219 1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.611 6.697 1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.168 6.631 3.151 1.00 0.00 H new ATOM 792 N THR A 50 -6.944 4.648 -0.120 1.00 0.00 N ATOM 793 CA THR A 50 -5.535 4.555 0.221 1.00 0.00 C ATOM 794 C THR A 50 -5.275 5.123 1.611 1.00 0.00 C ATOM 795 O THR A 50 -5.872 6.129 1.993 1.00 0.00 O ATOM 796 CB THR A 50 -4.683 5.333 -0.802 1.00 0.00 C ATOM 797 OG1 THR A 50 -5.438 6.337 -1.453 1.00 0.00 O ATOM 798 CG2 THR A 50 -4.108 4.389 -1.856 1.00 0.00 C ATOM 0 H THR A 50 -7.244 5.610 -0.276 1.00 0.00 H new ATOM 0 HA THR A 50 -5.259 3.501 0.205 1.00 0.00 H new ATOM 0 HB THR A 50 -3.873 5.805 -0.246 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.837 6.918 -1.965 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.510 4.959 -2.568 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.480 3.642 -1.371 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.923 3.892 -2.383 1.00 0.00 H new ATOM 806 N GLU A 51 -4.378 4.474 2.359 1.00 0.00 N ATOM 807 CA GLU A 51 -3.851 4.999 3.613 1.00 0.00 C ATOM 808 C GLU A 51 -2.331 4.908 3.483 1.00 0.00 C ATOM 809 O GLU A 51 -1.811 3.920 2.956 1.00 0.00 O ATOM 810 CB GLU A 51 -4.431 4.309 4.852 1.00 0.00 C ATOM 811 CG GLU A 51 -4.001 2.851 4.962 1.00 0.00 C ATOM 812 CD GLU A 51 -4.904 2.044 5.891 1.00 0.00 C ATOM 813 OE1 GLU A 51 -5.330 2.619 6.916 1.00 0.00 O ATOM 814 OE2 GLU A 51 -5.150 0.864 5.560 1.00 0.00 O ATOM 0 H GLU A 51 -3.997 3.562 2.105 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.154 6.033 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.114 4.847 5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.519 4.362 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.007 2.398 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.975 2.805 5.327 1.00 0.00 H new ATOM 821 N CYS A 52 -1.639 5.973 3.889 1.00 0.00 N ATOM 822 CA CYS A 52 -0.209 6.136 3.735 1.00 0.00 C ATOM 823 C CYS A 52 0.547 5.839 5.027 1.00 0.00 C ATOM 824 O CYS A 52 -0.044 5.790 6.104 1.00 0.00 O ATOM 825 CB CYS A 52 0.085 7.598 3.384 1.00 0.00 C ATOM 826 SG CYS A 52 -1.030 8.490 2.271 1.00 0.00 S ATOM 0 H CYS A 52 -2.082 6.768 4.349 1.00 0.00 H new ATOM 0 HA CYS A 52 0.113 5.442 2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.128 8.156 4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.082 7.634 2.945 1.00 0.00 H new ATOM 831 N CYS A 53 1.870 5.700 4.919 1.00 0.00 N ATOM 832 CA CYS A 53 2.795 5.583 6.041 1.00 0.00 C ATOM 833 C CYS A 53 4.184 5.934 5.519 1.00 0.00 C ATOM 834 O CYS A 53 4.375 6.019 4.308 1.00 0.00 O ATOM 835 CB CYS A 53 2.781 4.184 6.667 1.00 0.00 C ATOM 836 SG CYS A 53 3.350 2.847 5.598 1.00 0.00 S ATOM 0 H CYS A 53 2.340 5.665 4.015 1.00 0.00 H new ATOM 0 HA CYS A 53 2.492 6.264 6.836 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.403 4.200 7.562 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.764 3.960 6.989 1.00 0.00 H new ATOM 841 N LYS A 54 5.145 6.167 6.411 1.00 0.00 N ATOM 842 CA LYS A 54 6.526 6.434 6.082 1.00 0.00 C ATOM 843 C LYS A 54 7.369 5.490 6.933 1.00 0.00 C ATOM 844 O LYS A 54 6.966 5.146 8.044 1.00 0.00 O ATOM 845 CB LYS A 54 6.856 7.904 6.346 1.00 0.00 C ATOM 846 CG LYS A 54 6.227 8.487 7.619 1.00 0.00 C ATOM 847 CD LYS A 54 6.761 9.897 7.916 1.00 0.00 C ATOM 848 CE LYS A 54 6.368 10.911 6.834 1.00 0.00 C ATOM 849 NZ LYS A 54 6.751 12.280 7.221 1.00 0.00 N ATOM 0 H LYS A 54 4.967 6.173 7.415 1.00 0.00 H new ATOM 0 HA LYS A 54 6.733 6.261 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.939 8.013 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.526 8.495 5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.143 8.523 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.438 7.831 8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.378 10.232 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.847 9.861 7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.851 10.648 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.292 10.866 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.473 12.944 6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.270 12.538 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.781 12.326 7.360 1.00 0.00 H new ATOM 863 N GLY A 55 8.521 5.077 6.406 1.00 0.00 N ATOM 864 CA GLY A 55 9.421 4.133 7.043 1.00 0.00 C ATOM 865 C GLY A 55 9.530 2.895 6.159 1.00 0.00 C ATOM 866 O GLY A 55 8.547 2.462 5.553 1.00 0.00 O ATOM 0 H GLY A 55 8.858 5.402 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.403 4.584 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.048 3.861 8.031 1.00 0.00 H new ATOM 870 N ASP A 56 10.735 2.336 6.041 1.00 0.00 N ATOM 871 CA ASP A 56 10.965 1.156 5.226 1.00 0.00 C ATOM 872 C ASP A 56 10.004 0.050 5.654 1.00 0.00 C ATOM 873 O ASP A 56 9.844 -0.209 6.844 1.00 0.00 O ATOM 874 CB ASP A 56 12.436 0.755 5.327 1.00 0.00 C ATOM 875 CG ASP A 56 13.276 1.753 4.542 1.00 0.00 C ATOM 876 OD1 ASP A 56 13.457 2.878 5.055 1.00 0.00 O ATOM 877 OD2 ASP A 56 13.636 1.417 3.394 1.00 0.00 O ATOM 0 H ASP A 56 11.570 2.690 6.507 1.00 0.00 H new ATOM 0 HA ASP A 56 10.763 1.358 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.751 0.737 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.580 -0.251 4.933 1.00 0.00 H new ATOM 882 N ARG A 57 9.338 -0.545 4.662 1.00 0.00 N ATOM 883 CA ARG A 57 8.304 -1.553 4.761 1.00 0.00 C ATOM 884 C ARG A 57 7.261 -1.247 5.853 1.00 0.00 C ATOM 885 O ARG A 57 6.698 -2.160 6.452 1.00 0.00 O ATOM 886 CB ARG A 57 8.986 -2.928 4.827 1.00 0.00 C ATOM 887 CG ARG A 57 9.479 -3.408 6.201 1.00 0.00 C ATOM 888 CD ARG A 57 10.389 -4.633 6.057 1.00 0.00 C ATOM 889 NE ARG A 57 9.682 -5.768 5.441 1.00 0.00 N ATOM 890 CZ ARG A 57 10.050 -6.471 4.359 1.00 0.00 C ATOM 891 NH1 ARG A 57 11.108 -6.123 3.618 1.00 0.00 N ATOM 892 NH2 ARG A 57 9.326 -7.543 4.027 1.00 0.00 N ATOM 0 H ARG A 57 9.532 -0.307 3.689 1.00 0.00 H new ATOM 0 HA ARG A 57 7.676 -1.553 3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.286 -3.670 4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.840 -2.913 4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.021 -2.604 6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.626 -3.656 6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.257 -4.372 5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.762 -4.926 7.038 1.00 0.00 H new ATOM 0 HE ARG A 57 8.811 -6.053 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.660 -5.303 3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.363 -6.678 2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.518 -7.807 4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.581 -8.097 3.210 1.00 0.00 H new ATOM 906 N CYS A 58 6.942 0.039 6.074 1.00 0.00 N ATOM 907 CA CYS A 58 5.948 0.456 7.059 1.00 0.00 C ATOM 908 C CYS A 58 4.550 -0.050 6.711 1.00 0.00 C ATOM 909 O CYS A 58 3.755 -0.332 7.605 1.00 0.00 O ATOM 910 CB CYS A 58 5.907 1.987 7.162 1.00 0.00 C ATOM 911 SG CYS A 58 5.431 2.887 5.658 1.00 0.00 S ATOM 0 H CYS A 58 7.371 0.815 5.570 1.00 0.00 H new ATOM 0 HA CYS A 58 6.247 0.022 8.013 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.211 2.257 7.956 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.893 2.335 7.470 1.00 0.00 H new ATOM 916 N ASN A 59 4.235 -0.163 5.420 1.00 0.00 N ATOM 917 CA ASN A 59 2.922 -0.567 4.933 1.00 0.00 C ATOM 918 C ASN A 59 2.764 -2.088 5.026 1.00 0.00 C ATOM 919 O ASN A 59 2.477 -2.749 4.032 1.00 0.00 O ATOM 920 CB ASN A 59 2.716 -0.038 3.497 1.00 0.00 C ATOM 921 CG ASN A 59 3.739 -0.567 2.494 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.822 -1.002 2.873 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.413 -0.508 1.205 1.00 0.00 N ATOM 0 H ASN A 59 4.901 0.028 4.671 1.00 0.00 H new ATOM 0 HA ASN A 59 2.144 -0.130 5.559 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.716 -0.310 3.159 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.763 1.051 3.510 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.073 -0.830 0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.504 -0.140 0.925 1.00 0.00 H new ATOM 930 N LYS A 60 2.959 -2.634 6.224 1.00 0.00 N ATOM 931 CA LYS A 60 2.850 -4.058 6.503 1.00 0.00 C ATOM 932 C LYS A 60 1.382 -4.495 6.505 1.00 0.00 C ATOM 933 O LYS A 60 0.525 -3.654 6.854 1.00 0.00 O ATOM 934 CB LYS A 60 3.541 -4.340 7.843 1.00 0.00 C ATOM 935 CG LYS A 60 3.681 -5.843 8.116 1.00 0.00 C ATOM 936 CD LYS A 60 4.258 -6.161 9.505 1.00 0.00 C ATOM 937 CE LYS A 60 5.654 -5.572 9.759 1.00 0.00 C ATOM 938 NZ LYS A 60 5.597 -4.193 10.279 1.00 0.00 N ATOM 939 OXT LYS A 60 1.146 -5.669 6.137 1.00 0.00 O ATOM 0 H LYS A 60 3.203 -2.082 7.046 1.00 0.00 H new ATOM 0 HA LYS A 60 3.344 -4.639 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.528 -3.878 7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.971 -3.877 8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.703 -6.315 8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.323 -6.285 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.574 -5.784 10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.305 -7.243 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.188 -6.203 10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.225 -5.584 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.176 -3.571 9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.612 -3.860 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.963 -4.174 11.252 1.00 0.00 H new