USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 854 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 28 SER OG : rot 180:sc= 0.887 USER MOD Set 1.2: A 97 ASN : amide:sc=-0.00659 K(o=2.5,f=-2.2!) USER MOD Set 1.3: A 99 LYS NZ :NH3+ 132:sc= 1.64 (180deg=0) USER MOD Set 2.1: A 41 SER OG : rot -60:sc= 0.414 USER MOD Set 2.2: A 66 GLN : amide:sc= -1.45 K(o=-1,f=-5.8!) USER MOD Set 3.1: A 24 THR OG1 : rot 93:sc= 1.22 USER MOD Set 3.2: A 35 GLN :FLIP amide:sc= 0.721 F(o=-0.47,f=1.9) USER MOD Set 4.1: A 14 TYR OH : rot 30:sc= 0 USER MOD Set 4.2: A 62 HIS : no HE2:sc= -0.528 K(o=-0.53,f=-3.7!) USER MOD Single : A 13 SER OG : rot 28:sc= 0.0421 USER MOD Single : A 19 LYS NZ :NH3+ 137:sc= 0.234 (180deg=-0.0139) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -9:sc= -3.48! USER MOD Single : A 47 LYS NZ :NH3+ -169:sc=-0.00372 (180deg=-0.0981) USER MOD Single : A 49 MET CE :methyl -163:sc= -0.0636 (180deg=-0.422) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -145:sc= -2.21! (180deg=-4.98!) USER MOD Single : A 75 CYS SG : rot 131:sc= -0.382 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0227 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -1.17! (180deg=-1.44) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= -0.453 (180deg=-0.826) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-3.9) USER MOD Single : A 92 HIS : no HE2:sc= -0.438 K(o=-0.44,f=-2.1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -150:sc= -1.32 USER MOD Single : A 105 GLN : amide:sc= -0.515 K(o=-0.51,f=-9.1!) USER MOD Single : A 106 SER OG : rot 102:sc= 0.538 USER MOD Single : A 119 LYS NZ :NH3+ 165:sc= -1.95! (180deg=-3.01!) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 3.581 13.841 -8.011 1.00 0.00 N ATOM 164 CA SER A 13 2.243 13.255 -8.164 1.00 0.00 C ATOM 165 C SER A 13 1.906 12.292 -7.017 1.00 0.00 C ATOM 166 O SER A 13 1.242 11.271 -7.229 1.00 0.00 O ATOM 167 CB SER A 13 2.147 12.514 -9.509 1.00 0.00 C ATOM 168 OG SER A 13 2.363 13.393 -10.605 1.00 0.00 O ATOM 0 HA SER A 13 1.520 14.071 -8.138 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.882 11.710 -9.536 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.165 12.051 -9.601 1.00 0.00 H new ATOM 0 HG SER A 13 2.944 14.130 -10.323 1.00 0.00 H new ATOM 174 N TYR A 14 2.338 12.618 -5.800 1.00 0.00 N ATOM 175 CA TYR A 14 2.027 11.786 -4.640 1.00 0.00 C ATOM 176 C TYR A 14 0.584 12.006 -4.196 1.00 0.00 C ATOM 177 O TYR A 14 0.289 12.914 -3.418 1.00 0.00 O ATOM 178 CB TYR A 14 3.003 12.058 -3.492 1.00 0.00 C ATOM 179 CG TYR A 14 4.368 11.445 -3.719 1.00 0.00 C ATOM 180 CD1 TYR A 14 5.323 12.076 -4.509 1.00 0.00 C ATOM 181 CD2 TYR A 14 4.694 10.224 -3.146 1.00 0.00 C ATOM 182 CE1 TYR A 14 6.562 11.504 -4.717 1.00 0.00 C ATOM 183 CE2 TYR A 14 5.929 9.649 -3.348 1.00 0.00 C ATOM 184 CZ TYR A 14 6.861 10.291 -4.134 1.00 0.00 C ATOM 185 OH TYR A 14 8.098 9.719 -4.338 1.00 0.00 O ATOM 0 H TYR A 14 2.899 13.444 -5.593 1.00 0.00 H new ATOM 0 HA TYR A 14 2.139 10.741 -4.929 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.111 13.135 -3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.584 11.666 -2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.092 13.027 -4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.966 9.716 -2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.294 12.004 -5.334 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.166 8.699 -2.892 1.00 0.00 H new ATOM 0 HH TYR A 14 8.766 10.423 -4.473 1.00 0.00 H new ATOM 195 N ILE A 15 -0.307 11.160 -4.708 1.00 0.00 N ATOM 196 CA ILE A 15 -1.742 11.312 -4.492 1.00 0.00 C ATOM 197 C ILE A 15 -2.122 11.032 -3.036 1.00 0.00 C ATOM 198 O ILE A 15 -2.711 11.880 -2.367 1.00 0.00 O ATOM 199 CB ILE A 15 -2.552 10.374 -5.430 1.00 0.00 C ATOM 200 CG1 ILE A 15 -2.145 10.594 -6.900 1.00 0.00 C ATOM 201 CG2 ILE A 15 -4.056 10.593 -5.250 1.00 0.00 C ATOM 202 CD1 ILE A 15 -2.379 12.005 -7.404 1.00 0.00 C ATOM 0 H ILE A 15 -0.056 10.354 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.991 12.347 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.323 9.343 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.089 10.350 -7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.702 9.899 -7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.603 9.926 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.333 10.382 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.304 11.627 -5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.067 12.076 -8.446 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.439 12.248 -7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.800 12.707 -6.803 1.00 0.00 H new ATOM 214 N VAL A 16 -1.777 9.843 -2.545 1.00 0.00 N ATOM 215 CA VAL A 16 -2.171 9.424 -1.198 1.00 0.00 C ATOM 216 C VAL A 16 -0.980 8.858 -0.427 1.00 0.00 C ATOM 217 O VAL A 16 -0.240 8.021 -0.944 1.00 0.00 O ATOM 218 CB VAL A 16 -3.292 8.348 -1.240 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.704 7.931 0.172 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.502 8.846 -2.030 1.00 0.00 C ATOM 0 H VAL A 16 -1.227 9.153 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.546 10.314 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.892 7.472 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.489 7.178 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.842 7.517 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.075 8.801 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.271 8.073 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.899 9.745 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.200 9.075 -3.052 1.00 0.00 H new ATOM 230 N ARG A 17 -0.793 9.332 0.803 1.00 0.00 N ATOM 231 CA ARG A 17 0.195 8.759 1.713 1.00 0.00 C ATOM 232 C ARG A 17 -0.522 8.047 2.861 1.00 0.00 C ATOM 233 O ARG A 17 -0.977 8.684 3.815 1.00 0.00 O ATOM 234 CB ARG A 17 1.159 9.833 2.259 1.00 0.00 C ATOM 235 CG ARG A 17 2.124 10.406 1.216 1.00 0.00 C ATOM 236 CD ARG A 17 1.462 11.433 0.301 1.00 0.00 C ATOM 237 NE ARG A 17 1.121 12.664 1.018 1.00 0.00 N ATOM 238 CZ ARG A 17 0.576 13.743 0.450 1.00 0.00 C ATOM 239 NH1 ARG A 17 0.309 13.758 -0.851 1.00 0.00 N ATOM 240 NH2 ARG A 17 0.303 14.813 1.187 1.00 0.00 N ATOM 0 H ARG A 17 -1.316 10.116 1.193 1.00 0.00 H new ATOM 0 HA ARG A 17 0.796 8.040 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.573 10.649 2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.739 9.402 3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.969 10.870 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.524 9.592 0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.132 11.668 -0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.559 11.004 -0.133 1.00 0.00 H new ATOM 0 HE ARG A 17 1.313 12.700 2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.520 12.941 -1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.107 14.586 -1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.509 14.810 2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.113 15.638 0.754 1.00 0.00 H new ATOM 254 N VAL A 18 -0.648 6.725 2.738 1.00 0.00 N ATOM 255 CA VAL A 18 -1.361 5.905 3.723 1.00 0.00 C ATOM 256 C VAL A 18 -0.501 5.703 4.975 1.00 0.00 C ATOM 257 O VAL A 18 0.727 5.787 4.902 1.00 0.00 O ATOM 258 CB VAL A 18 -1.736 4.522 3.118 1.00 0.00 C ATOM 259 CG1 VAL A 18 -2.561 3.685 4.097 1.00 0.00 C ATOM 260 CG2 VAL A 18 -2.480 4.701 1.793 1.00 0.00 C ATOM 0 H VAL A 18 -0.262 6.193 1.958 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.276 6.429 3.999 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.810 3.980 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.805 2.726 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.985 3.518 5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.482 4.214 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.735 3.723 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.393 5.272 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.843 5.235 1.088 1.00 0.00 H new ATOM 270 N LYS A 19 -1.146 5.451 6.118 1.00 0.00 N ATOM 271 CA LYS A 19 -0.431 5.201 7.368 1.00 0.00 C ATOM 272 C LYS A 19 -0.339 3.705 7.636 1.00 0.00 C ATOM 273 O LYS A 19 -1.336 2.987 7.555 1.00 0.00 O ATOM 274 CB LYS A 19 -1.119 5.882 8.562 1.00 0.00 C ATOM 275 CG LYS A 19 -0.522 5.478 9.915 1.00 0.00 C ATOM 276 CD LYS A 19 -1.286 6.078 11.093 1.00 0.00 C ATOM 277 CE LYS A 19 -0.818 5.495 12.426 1.00 0.00 C ATOM 278 NZ LYS A 19 0.626 5.759 12.689 1.00 0.00 N ATOM 0 H LYS A 19 -2.162 5.415 6.201 1.00 0.00 H new ATOM 0 HA LYS A 19 0.569 5.621 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.044 6.963 8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.180 5.633 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.525 4.391 10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.519 5.799 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.151 7.160 11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.353 5.891 10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.415 5.919 13.234 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.994 4.419 12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.752 6.044 13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.176 4.896 12.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.959 6.522 12.065 1.00 0.00 H new ATOM 292 N ALA A 20 0.862 3.249 7.955 1.00 0.00 N ATOM 293 CA ALA A 20 1.096 1.865 8.333 1.00 0.00 C ATOM 294 C ALA A 20 2.518 1.718 8.844 1.00 0.00 C ATOM 295 O ALA A 20 3.177 2.714 9.152 1.00 0.00 O ATOM 296 CB ALA A 20 0.852 0.932 7.144 1.00 0.00 C ATOM 0 H ALA A 20 1.702 3.828 7.959 1.00 0.00 H new ATOM 0 HA ALA A 20 0.400 1.587 9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.032 -0.099 7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.179 1.036 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.529 1.194 6.331 1.00 0.00 H new ATOM 302 N VAL A 21 2.967 0.479 8.974 1.00 0.00 N ATOM 303 CA VAL A 21 4.373 0.182 9.203 1.00 0.00 C ATOM 304 C VAL A 21 4.893 -0.640 8.033 1.00 0.00 C ATOM 305 O VAL A 21 4.365 -1.720 7.747 1.00 0.00 O ATOM 306 CB VAL A 21 4.609 -0.604 10.518 1.00 0.00 C ATOM 307 CG1 VAL A 21 6.104 -0.860 10.729 1.00 0.00 C ATOM 308 CG2 VAL A 21 4.007 0.139 11.711 1.00 0.00 C ATOM 0 H VAL A 21 2.370 -0.346 8.924 1.00 0.00 H new ATOM 0 HA VAL A 21 4.904 1.130 9.291 1.00 0.00 H new ATOM 0 HB VAL A 21 4.107 -1.568 10.437 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.251 -1.413 11.657 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.495 -1.442 9.894 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.632 0.092 10.786 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.185 -0.432 12.622 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.472 1.121 11.801 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.934 0.258 11.561 1.00 0.00 H new ATOM 318 N VAL A 22 5.898 -0.121 7.338 1.00 0.00 N ATOM 319 CA VAL A 22 6.477 -0.826 6.204 1.00 0.00 C ATOM 320 C VAL A 22 7.285 -2.027 6.693 1.00 0.00 C ATOM 321 O VAL A 22 8.454 -1.900 7.068 1.00 0.00 O ATOM 322 CB VAL A 22 7.371 0.097 5.339 1.00 0.00 C ATOM 323 CG1 VAL A 22 7.913 -0.657 4.126 1.00 0.00 C ATOM 324 CG2 VAL A 22 6.601 1.344 4.900 1.00 0.00 C ATOM 0 H VAL A 22 6.327 0.782 7.540 1.00 0.00 H new ATOM 0 HA VAL A 22 5.654 -1.168 5.576 1.00 0.00 H new ATOM 0 HB VAL A 22 8.217 0.417 5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.538 0.010 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.506 -1.507 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.082 -1.012 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.249 1.977 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.732 1.047 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.273 1.898 5.780 1.00 0.00 H new ATOM 334 N MET A 23 6.631 -3.182 6.722 1.00 0.00 N ATOM 335 CA MET A 23 7.246 -4.416 7.193 1.00 0.00 C ATOM 336 C MET A 23 7.986 -5.106 6.066 1.00 0.00 C ATOM 337 O MET A 23 7.379 -5.610 5.118 1.00 0.00 O ATOM 338 CB MET A 23 6.189 -5.369 7.768 1.00 0.00 C ATOM 339 CG MET A 23 5.503 -4.860 9.026 1.00 0.00 C ATOM 340 SD MET A 23 6.629 -4.684 10.423 1.00 0.00 S ATOM 341 CE MET A 23 5.463 -4.382 11.748 1.00 0.00 C ATOM 0 H MET A 23 5.662 -3.289 6.421 1.00 0.00 H new ATOM 0 HA MET A 23 7.953 -4.155 7.980 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.432 -5.555 7.006 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.662 -6.326 7.988 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.041 -3.896 8.816 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.700 -5.546 9.298 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.003 -4.251 12.685 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.890 -3.481 11.530 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.784 -5.231 11.836 1.00 0.00 H new ATOM 351 N THR A 24 9.297 -5.111 6.171 1.00 0.00 N ATOM 352 CA THR A 24 10.136 -5.854 5.260 1.00 0.00 C ATOM 353 C THR A 24 10.571 -7.154 5.934 1.00 0.00 C ATOM 354 O THR A 24 11.161 -7.137 7.012 1.00 0.00 O ATOM 355 CB THR A 24 11.359 -5.005 4.810 1.00 0.00 C ATOM 356 OG1 THR A 24 11.024 -4.266 3.625 1.00 0.00 O ATOM 357 CG2 THR A 24 12.588 -5.870 4.550 1.00 0.00 C ATOM 0 H THR A 24 9.810 -4.600 6.890 1.00 0.00 H new ATOM 0 HA THR A 24 9.572 -6.095 4.359 1.00 0.00 H new ATOM 0 HB THR A 24 11.604 -4.318 5.620 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.688 -3.380 3.876 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.419 -5.237 4.238 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.859 -6.401 5.463 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.366 -6.591 3.763 1.00 0.00 H new ATOM 365 N ARG A 25 10.229 -8.282 5.322 1.00 0.00 N ATOM 366 CA ARG A 25 10.602 -9.580 5.866 1.00 0.00 C ATOM 367 C ARG A 25 12.099 -9.779 5.650 1.00 0.00 C ATOM 368 O ARG A 25 12.560 -9.840 4.508 1.00 0.00 O ATOM 369 CB ARG A 25 9.782 -10.701 5.194 1.00 0.00 C ATOM 370 CG ARG A 25 9.589 -11.955 6.052 1.00 0.00 C ATOM 371 CD ARG A 25 10.887 -12.720 6.277 1.00 0.00 C ATOM 372 NE ARG A 25 10.687 -13.919 7.097 1.00 0.00 N ATOM 373 CZ ARG A 25 10.387 -15.125 6.608 1.00 0.00 C ATOM 374 NH1 ARG A 25 10.168 -15.289 5.309 1.00 0.00 N ATOM 375 NH2 ARG A 25 10.284 -16.160 7.425 1.00 0.00 N ATOM 0 H ARG A 25 9.697 -8.323 4.453 1.00 0.00 H new ATOM 0 HA ARG A 25 10.385 -9.619 6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.802 -10.306 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.275 -10.986 4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.169 -11.669 7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.864 -12.611 5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.310 -13.007 5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.613 -12.067 6.762 1.00 0.00 H new ATOM 0 HE ARG A 25 10.783 -13.826 8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.228 -14.491 4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.939 -16.213 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.434 -16.036 8.426 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.055 -17.082 7.054 1.00 0.00 H new ATOM 389 N ASP A 26 12.851 -9.846 6.748 1.00 0.00 N ATOM 390 CA ASP A 26 14.308 -9.959 6.686 1.00 0.00 C ATOM 391 C ASP A 26 14.714 -11.204 5.896 1.00 0.00 C ATOM 392 O ASP A 26 14.811 -12.302 6.449 1.00 0.00 O ATOM 393 CB ASP A 26 14.900 -9.993 8.100 1.00 0.00 C ATOM 394 CG ASP A 26 16.420 -9.911 8.115 1.00 0.00 C ATOM 395 OD1 ASP A 26 17.085 -10.965 8.027 1.00 0.00 O ATOM 396 OD2 ASP A 26 16.958 -8.790 8.248 1.00 0.00 O ATOM 0 H ASP A 26 12.473 -9.824 7.695 1.00 0.00 H new ATOM 0 HA ASP A 26 14.705 -9.085 6.170 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.492 -9.164 8.678 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.587 -10.912 8.596 1.00 0.00 H new ATOM 401 N ASP A 27 14.896 -11.015 4.589 1.00 0.00 N ATOM 402 CA ASP A 27 15.221 -12.099 3.660 1.00 0.00 C ATOM 403 C ASP A 27 14.176 -13.216 3.741 1.00 0.00 C ATOM 404 O ASP A 27 13.188 -13.210 3.002 1.00 0.00 O ATOM 405 CB ASP A 27 16.634 -12.650 3.922 1.00 0.00 C ATOM 406 CG ASP A 27 17.009 -13.774 2.968 1.00 0.00 C ATOM 407 OD1 ASP A 27 17.378 -13.482 1.813 1.00 0.00 O ATOM 408 OD2 ASP A 27 16.933 -14.958 3.366 1.00 0.00 O ATOM 0 H ASP A 27 14.822 -10.101 4.142 1.00 0.00 H new ATOM 0 HA ASP A 27 15.205 -11.690 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.359 -11.841 3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.694 -13.014 4.948 1.00 0.00 H new ATOM 413 N SER A 28 14.389 -14.159 4.656 1.00 0.00 N ATOM 414 CA SER A 28 13.457 -15.258 4.889 1.00 0.00 C ATOM 415 C SER A 28 13.665 -15.832 6.293 1.00 0.00 C ATOM 416 O SER A 28 13.365 -17.001 6.555 1.00 0.00 O ATOM 417 CB SER A 28 13.634 -16.351 3.824 1.00 0.00 C ATOM 418 OG SER A 28 13.375 -15.846 2.521 1.00 0.00 O ATOM 0 H SER A 28 15.213 -14.182 5.257 1.00 0.00 H new ATOM 0 HA SER A 28 12.439 -14.876 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.649 -16.745 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.960 -17.181 4.036 1.00 0.00 H new ATOM 0 HG SER A 28 13.496 -16.562 1.863 1.00 0.00 H new ATOM 424 N SER A 29 14.158 -14.987 7.198 1.00 0.00 N ATOM 425 CA SER A 29 14.427 -15.381 8.576 1.00 0.00 C ATOM 426 C SER A 29 14.093 -14.229 9.525 1.00 0.00 C ATOM 427 O SER A 29 14.028 -13.070 9.108 1.00 0.00 O ATOM 428 CB SER A 29 15.902 -15.788 8.728 1.00 0.00 C ATOM 429 OG SER A 29 16.182 -16.242 10.043 1.00 0.00 O ATOM 0 H SER A 29 14.381 -14.013 6.995 1.00 0.00 H new ATOM 0 HA SER A 29 13.800 -16.236 8.830 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.139 -16.575 8.012 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.542 -14.938 8.491 1.00 0.00 H new ATOM 0 HG SER A 29 17.127 -16.495 10.108 1.00 0.00 H new ATOM 435 N GLY A 30 13.881 -14.548 10.798 1.00 0.00 N ATOM 436 CA GLY A 30 13.573 -13.529 11.790 1.00 0.00 C ATOM 437 C GLY A 30 12.105 -13.149 11.785 1.00 0.00 C ATOM 438 O GLY A 30 11.442 -13.178 12.826 1.00 0.00 O ATOM 0 H GLY A 30 13.917 -15.500 11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.849 -13.893 12.780 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.177 -12.642 11.597 1.00 0.00 H new ATOM 442 N GLY A 31 11.599 -12.780 10.610 1.00 0.00 N ATOM 443 CA GLY A 31 10.194 -12.444 10.457 1.00 0.00 C ATOM 444 C GLY A 31 10.001 -11.133 9.719 1.00 0.00 C ATOM 445 O GLY A 31 10.910 -10.668 9.024 1.00 0.00 O ATOM 0 H GLY A 31 12.146 -12.708 9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.687 -13.243 9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.728 -12.379 11.440 1.00 0.00 H new ATOM 449 N TRP A 32 8.815 -10.546 9.854 1.00 0.00 N ATOM 450 CA TRP A 32 8.529 -9.244 9.260 1.00 0.00 C ATOM 451 C TRP A 32 9.009 -8.143 10.200 1.00 0.00 C ATOM 452 O TRP A 32 8.391 -7.891 11.238 1.00 0.00 O ATOM 453 CB TRP A 32 7.024 -9.090 8.964 1.00 0.00 C ATOM 454 CG TRP A 32 6.524 -10.065 7.940 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.111 -11.350 8.152 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.395 -9.832 6.537 1.00 0.00 C ATOM 457 NE1 TRP A 32 5.731 -11.925 6.964 1.00 0.00 N ATOM 458 CE2 TRP A 32 5.898 -11.013 5.958 1.00 0.00 C ATOM 459 CE3 TRP A 32 6.649 -8.736 5.716 1.00 0.00 C ATOM 460 CZ2 TRP A 32 5.651 -11.126 4.595 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.407 -8.850 4.364 1.00 0.00 C ATOM 462 CH2 TRP A 32 5.913 -10.037 3.814 1.00 0.00 C ATOM 0 H TRP A 32 8.035 -10.953 10.371 1.00 0.00 H new ATOM 0 HA TRP A 32 9.060 -9.164 8.312 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.462 -9.223 9.889 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.830 -8.075 8.616 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.087 -11.842 9.113 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.381 -12.876 6.850 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.029 -7.814 6.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 5.266 -12.041 4.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.602 -8.007 3.718 1.00 0.00 H new ATOM 0 HH2 TRP A 32 5.735 -10.094 2.750 1.00 0.00 H new ATOM 473 N PHE A 33 10.127 -7.512 9.855 1.00 0.00 N ATOM 474 CA PHE A 33 10.738 -6.508 10.720 1.00 0.00 C ATOM 475 C PHE A 33 10.451 -5.103 10.178 1.00 0.00 C ATOM 476 O PHE A 33 10.322 -4.916 8.962 1.00 0.00 O ATOM 477 CB PHE A 33 12.259 -6.780 10.865 1.00 0.00 C ATOM 478 CG PHE A 33 13.175 -5.842 10.103 1.00 0.00 C ATOM 479 CD1 PHE A 33 13.295 -5.921 8.721 1.00 0.00 C ATOM 480 CD2 PHE A 33 13.920 -4.884 10.777 1.00 0.00 C ATOM 481 CE1 PHE A 33 14.132 -5.061 8.033 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.760 -4.026 10.094 1.00 0.00 C ATOM 483 CZ PHE A 33 14.865 -4.114 8.719 1.00 0.00 C ATOM 0 H PHE A 33 10.629 -7.678 8.982 1.00 0.00 H new ATOM 0 HA PHE A 33 10.301 -6.570 11.717 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.518 -6.730 11.923 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.459 -7.800 10.535 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.728 -6.663 8.178 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.842 -4.808 11.851 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.212 -5.131 6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.334 -3.287 10.634 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.519 -3.443 8.182 1.00 0.00 H new ATOM 493 N PRO A 34 10.321 -4.100 11.072 1.00 0.00 N ATOM 494 CA PRO A 34 10.064 -2.713 10.668 1.00 0.00 C ATOM 495 C PRO A 34 11.181 -2.178 9.774 1.00 0.00 C ATOM 496 O PRO A 34 12.359 -2.327 10.098 1.00 0.00 O ATOM 497 CB PRO A 34 10.004 -1.945 12.003 1.00 0.00 C ATOM 498 CG PRO A 34 10.687 -2.829 12.991 1.00 0.00 C ATOM 499 CD PRO A 34 10.415 -4.237 12.537 1.00 0.00 C ATOM 0 HA PRO A 34 9.150 -2.611 10.082 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.505 -0.980 11.925 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.974 -1.747 12.298 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.758 -2.628 13.021 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.303 -2.661 13.997 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.216 -4.917 12.828 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.493 -4.628 12.966 1.00 0.00 H new ATOM 507 N GLN A 35 10.791 -1.555 8.659 1.00 0.00 N ATOM 508 CA GLN A 35 11.727 -1.059 7.643 1.00 0.00 C ATOM 509 C GLN A 35 12.977 -0.434 8.269 1.00 0.00 C ATOM 510 O GLN A 35 14.105 -0.726 7.864 1.00 0.00 O ATOM 511 CB GLN A 35 11.020 -0.023 6.762 1.00 0.00 C ATOM 512 CG GLN A 35 11.771 0.318 5.482 1.00 0.00 C ATOM 513 CD GLN A 35 11.897 -0.861 4.537 1.00 0.00 C ATOM 514 OE1 GLN A 35 10.909 -1.743 4.556 1.00 0.00 O flip ATOM 515 NE2 GLN A 35 12.866 -0.971 3.789 1.00 0.00 N flip ATOM 0 H GLN A 35 9.812 -1.379 8.433 1.00 0.00 H new ATOM 0 HA GLN A 35 12.049 -1.910 7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 35 10.030 -0.398 6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.873 0.890 7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.257 1.132 4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.767 0.680 5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.606 -0.269 3.806 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.930 -1.764 3.151 1.00 0.00 H new ATOM 524 N GLU A 36 12.753 0.419 9.260 1.00 0.00 N ATOM 525 CA GLU A 36 13.828 1.081 9.991 1.00 0.00 C ATOM 526 C GLU A 36 13.217 1.909 11.116 1.00 0.00 C ATOM 527 O GLU A 36 13.791 2.045 12.200 1.00 0.00 O ATOM 528 CB GLU A 36 14.672 1.966 9.061 1.00 0.00 C ATOM 529 CG GLU A 36 15.988 2.418 9.684 1.00 0.00 C ATOM 530 CD GLU A 36 16.858 3.220 8.731 1.00 0.00 C ATOM 531 OE1 GLU A 36 17.552 2.605 7.887 1.00 0.00 O ATOM 532 OE2 GLU A 36 16.864 4.466 8.827 1.00 0.00 O ATOM 0 H GLU A 36 11.819 0.673 9.581 1.00 0.00 H new ATOM 0 HA GLU A 36 14.495 0.327 10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.883 1.418 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.090 2.844 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.776 3.021 10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.542 1.542 10.022 1.00 0.00 H new ATOM 539 N GLY A 37 12.043 2.466 10.834 1.00 0.00 N ATOM 540 CA GLY A 37 11.247 3.130 11.852 1.00 0.00 C ATOM 541 C GLY A 37 10.017 2.313 12.190 1.00 0.00 C ATOM 542 O GLY A 37 9.689 1.362 11.473 1.00 0.00 O ATOM 0 H GLY A 37 11.624 2.469 9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.847 3.280 12.749 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.948 4.117 11.500 1.00 0.00 H new ATOM 546 N GLY A 38 9.333 2.672 13.271 1.00 0.00 N ATOM 547 CA GLY A 38 8.161 1.924 13.697 1.00 0.00 C ATOM 548 C GLY A 38 6.984 2.824 14.017 1.00 0.00 C ATOM 549 O GLY A 38 7.168 3.973 14.429 1.00 0.00 O ATOM 0 H GLY A 38 9.569 3.469 13.862 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.876 1.223 12.912 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.412 1.332 14.577 1.00 0.00 H new ATOM 553 N GLY A 39 5.774 2.305 13.820 1.00 0.00 N ATOM 554 CA GLY A 39 4.566 3.058 14.123 1.00 0.00 C ATOM 555 C GLY A 39 4.196 4.035 13.021 1.00 0.00 C ATOM 556 O GLY A 39 3.100 3.967 12.455 1.00 0.00 O ATOM 0 H GLY A 39 5.607 1.368 13.453 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.740 2.365 14.281 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.707 3.604 15.056 1.00 0.00 H new ATOM 560 N ILE A 40 5.111 4.949 12.719 1.00 0.00 N ATOM 561 CA ILE A 40 4.881 5.965 11.701 1.00 0.00 C ATOM 562 C ILE A 40 5.596 5.596 10.402 1.00 0.00 C ATOM 563 O ILE A 40 6.823 5.647 10.322 1.00 0.00 O ATOM 564 CB ILE A 40 5.361 7.374 12.157 1.00 0.00 C ATOM 565 CG1 ILE A 40 4.630 7.837 13.434 1.00 0.00 C ATOM 566 CG2 ILE A 40 5.165 8.396 11.036 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.087 7.148 14.705 1.00 0.00 C ATOM 0 H ILE A 40 6.025 5.006 13.169 1.00 0.00 H new ATOM 0 HA ILE A 40 3.804 6.004 11.538 1.00 0.00 H new ATOM 0 HB ILE A 40 6.424 7.300 12.388 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.770 8.912 13.548 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.561 7.666 13.308 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.506 9.375 11.373 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.741 8.092 10.162 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.108 8.450 10.774 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.520 7.534 15.552 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.921 6.074 14.617 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.149 7.339 14.861 1.00 0.00 H new ATOM 579 N SER A 41 4.824 5.190 9.402 1.00 0.00 N ATOM 580 CA SER A 41 5.346 4.986 8.060 1.00 0.00 C ATOM 581 C SER A 41 4.319 5.448 7.031 1.00 0.00 C ATOM 582 O SER A 41 3.227 4.881 6.935 1.00 0.00 O ATOM 583 CB SER A 41 5.697 3.510 7.829 1.00 0.00 C ATOM 584 OG SER A 41 6.620 3.039 8.798 1.00 0.00 O ATOM 0 H SER A 41 3.827 4.995 9.498 1.00 0.00 H new ATOM 0 HA SER A 41 6.257 5.574 7.949 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.789 2.908 7.867 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.120 3.387 6.832 1.00 0.00 H new ATOM 0 HG SER A 41 7.447 3.563 8.744 1.00 0.00 H new ATOM 590 N ARG A 42 4.656 6.504 6.293 1.00 0.00 N ATOM 591 CA ARG A 42 3.804 6.986 5.213 1.00 0.00 C ATOM 592 C ARG A 42 4.164 6.274 3.920 1.00 0.00 C ATOM 593 O ARG A 42 5.343 6.131 3.589 1.00 0.00 O ATOM 594 CB ARG A 42 3.941 8.504 5.020 1.00 0.00 C ATOM 595 CG ARG A 42 3.073 9.345 5.952 1.00 0.00 C ATOM 596 CD ARG A 42 3.509 9.244 7.408 1.00 0.00 C ATOM 597 NE ARG A 42 2.670 10.075 8.275 1.00 0.00 N ATOM 598 CZ ARG A 42 3.134 10.893 9.220 1.00 0.00 C ATOM 599 NH1 ARG A 42 4.438 11.003 9.437 1.00 0.00 N ATOM 600 NH2 ARG A 42 2.286 11.604 9.950 1.00 0.00 N ATOM 0 H ARG A 42 5.513 7.041 6.425 1.00 0.00 H new ATOM 0 HA ARG A 42 2.769 6.772 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.984 8.783 5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.688 8.750 3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.112 10.388 5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.035 9.024 5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.456 8.205 7.734 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.550 9.554 7.500 1.00 0.00 H new ATOM 0 HE ARG A 42 1.659 10.024 8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.096 10.459 8.878 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.783 11.632 10.162 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.282 11.524 9.788 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.637 12.231 10.674 1.00 0.00 H new ATOM 614 N VAL A 43 3.145 5.810 3.211 1.00 0.00 N ATOM 615 CA VAL A 43 3.336 5.158 1.925 1.00 0.00 C ATOM 616 C VAL A 43 2.897 6.086 0.800 1.00 0.00 C ATOM 617 O VAL A 43 1.700 6.237 0.535 1.00 0.00 O ATOM 618 CB VAL A 43 2.559 3.823 1.854 1.00 0.00 C ATOM 619 CG1 VAL A 43 2.746 3.148 0.496 1.00 0.00 C ATOM 620 CG2 VAL A 43 3.002 2.901 2.987 1.00 0.00 C ATOM 0 H VAL A 43 2.171 5.874 3.508 1.00 0.00 H new ATOM 0 HA VAL A 43 4.397 4.935 1.810 1.00 0.00 H new ATOM 0 HB VAL A 43 1.496 4.035 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.188 2.212 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.379 3.807 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.804 2.944 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.450 1.963 2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.069 2.700 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.803 3.381 3.945 1.00 0.00 H new ATOM 630 N GLY A 44 3.874 6.733 0.173 1.00 0.00 N ATOM 631 CA GLY A 44 3.604 7.661 -0.905 1.00 0.00 C ATOM 632 C GLY A 44 3.148 6.967 -2.174 1.00 0.00 C ATOM 633 O GLY A 44 3.956 6.681 -3.063 1.00 0.00 O ATOM 0 H GLY A 44 4.863 6.627 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.838 8.368 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.504 8.239 -1.115 1.00 0.00 H new ATOM 637 N VAL A 45 1.854 6.688 -2.255 1.00 0.00 N ATOM 638 CA VAL A 45 1.267 6.092 -3.447 1.00 0.00 C ATOM 639 C VAL A 45 1.137 7.151 -4.542 1.00 0.00 C ATOM 640 O VAL A 45 0.304 8.061 -4.450 1.00 0.00 O ATOM 641 CB VAL A 45 -0.124 5.474 -3.149 1.00 0.00 C ATOM 642 CG1 VAL A 45 -0.705 4.808 -4.396 1.00 0.00 C ATOM 643 CG2 VAL A 45 -0.031 4.476 -1.992 1.00 0.00 C ATOM 0 H VAL A 45 1.187 6.866 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 45 1.926 5.291 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.798 6.278 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.680 4.383 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.814 5.550 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.035 4.016 -4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.016 4.052 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.662 3.677 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.328 4.987 -1.099 1.00 0.00 H new ATOM 653 N CYS A 46 1.977 7.040 -5.563 1.00 0.00 N ATOM 654 CA CYS A 46 2.006 8.010 -6.650 1.00 0.00 C ATOM 655 C CYS A 46 1.838 7.322 -8.006 1.00 0.00 C ATOM 656 O CYS A 46 2.570 6.385 -8.334 1.00 0.00 O ATOM 657 CB CYS A 46 3.321 8.801 -6.603 1.00 0.00 C ATOM 658 SG CYS A 46 4.798 7.773 -6.424 1.00 0.00 S ATOM 0 H CYS A 46 2.652 6.282 -5.661 1.00 0.00 H new ATOM 0 HA CYS A 46 1.171 8.699 -6.524 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.410 9.390 -7.516 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.279 9.505 -5.772 1.00 0.00 H new ATOM 0 HG CYS A 46 4.446 6.548 -6.170 1.00 0.00 H new ATOM 664 N LYS A 47 0.854 7.784 -8.775 1.00 0.00 N ATOM 665 CA LYS A 47 0.626 7.290 -10.131 1.00 0.00 C ATOM 666 C LYS A 47 1.481 8.105 -11.101 1.00 0.00 C ATOM 667 O LYS A 47 1.056 9.152 -11.601 1.00 0.00 O ATOM 668 CB LYS A 47 -0.871 7.380 -10.486 1.00 0.00 C ATOM 669 CG LYS A 47 -1.248 6.778 -11.842 1.00 0.00 C ATOM 670 CD LYS A 47 -2.760 6.842 -12.081 1.00 0.00 C ATOM 671 CE LYS A 47 -3.144 6.462 -13.510 1.00 0.00 C ATOM 672 NZ LYS A 47 -2.680 7.468 -14.506 1.00 0.00 N ATOM 0 H LYS A 47 0.197 8.506 -8.479 1.00 0.00 H new ATOM 0 HA LYS A 47 0.915 6.241 -10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.445 6.876 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.170 8.428 -10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.729 7.314 -12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.915 5.741 -11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.263 6.173 -11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.116 7.850 -11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.716 5.489 -13.753 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.227 6.359 -13.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.117 7.270 -15.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.953 8.421 -14.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.645 7.416 -14.595 1.00 0.00 H new ATOM 686 N VAL A 48 2.705 7.638 -11.315 1.00 0.00 N ATOM 687 CA VAL A 48 3.694 8.358 -12.111 1.00 0.00 C ATOM 688 C VAL A 48 3.412 8.215 -13.604 1.00 0.00 C ATOM 689 O VAL A 48 3.294 7.102 -14.117 1.00 0.00 O ATOM 690 CB VAL A 48 5.126 7.837 -11.825 1.00 0.00 C ATOM 691 CG1 VAL A 48 6.178 8.686 -12.541 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.394 7.784 -10.321 1.00 0.00 C ATOM 0 H VAL A 48 3.041 6.750 -10.942 1.00 0.00 H new ATOM 0 HA VAL A 48 3.624 9.408 -11.828 1.00 0.00 H new ATOM 0 HB VAL A 48 5.198 6.823 -12.218 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.172 8.296 -12.321 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.004 8.650 -13.616 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.109 9.718 -12.196 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.404 7.416 -10.144 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.293 8.783 -9.898 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.676 7.115 -9.847 1.00 0.00 H new ATOM 702 N MET A 49 3.301 9.339 -14.298 1.00 0.00 N ATOM 703 CA MET A 49 3.145 9.326 -15.746 1.00 0.00 C ATOM 704 C MET A 49 4.505 9.157 -16.412 1.00 0.00 C ATOM 705 O MET A 49 5.345 10.062 -16.380 1.00 0.00 O ATOM 706 CB MET A 49 2.466 10.608 -16.243 1.00 0.00 C ATOM 707 CG MET A 49 1.039 10.781 -15.740 1.00 0.00 C ATOM 708 SD MET A 49 -0.056 9.446 -16.273 1.00 0.00 S ATOM 709 CE MET A 49 -0.058 9.682 -18.050 1.00 0.00 C ATOM 0 H MET A 49 3.316 10.270 -13.883 1.00 0.00 H new ATOM 0 HA MET A 49 2.506 8.484 -16.013 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.059 11.467 -15.929 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.460 10.606 -17.333 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.045 10.827 -14.651 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.645 11.733 -16.097 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.902 9.148 -18.487 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.145 10.745 -18.276 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.872 9.297 -18.469 1.00 0.00 H new ATOM 828 N GLY A 58 2.930 4.358 -14.130 1.00 0.00 N ATOM 829 CA GLY A 58 3.720 3.557 -13.218 1.00 0.00 C ATOM 830 C GLY A 58 3.390 3.879 -11.777 1.00 0.00 C ATOM 831 O GLY A 58 3.537 5.020 -11.343 1.00 0.00 O ATOM 0 HA2 GLY A 58 3.537 2.499 -13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.780 3.735 -13.399 1.00 0.00 H new ATOM 835 N PHE A 59 2.938 2.880 -11.037 1.00 0.00 N ATOM 836 CA PHE A 59 2.516 3.071 -9.658 1.00 0.00 C ATOM 837 C PHE A 59 3.694 2.840 -8.721 1.00 0.00 C ATOM 838 O PHE A 59 4.120 1.704 -8.503 1.00 0.00 O ATOM 839 CB PHE A 59 1.352 2.124 -9.333 1.00 0.00 C ATOM 840 CG PHE A 59 0.180 2.296 -10.270 1.00 0.00 C ATOM 841 CD1 PHE A 59 0.118 1.589 -11.462 1.00 0.00 C ATOM 842 CD2 PHE A 59 -0.849 3.178 -9.966 1.00 0.00 C ATOM 843 CE1 PHE A 59 -0.943 1.759 -12.332 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.914 3.346 -10.832 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.960 2.638 -12.016 1.00 0.00 C ATOM 0 H PHE A 59 2.853 1.920 -11.372 1.00 0.00 H new ATOM 0 HA PHE A 59 2.168 4.095 -9.520 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.703 1.093 -9.383 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.022 2.299 -8.309 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.908 0.897 -11.713 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.817 3.739 -9.043 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.976 1.205 -13.258 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.710 4.032 -10.582 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.790 2.771 -12.694 1.00 0.00 H new ATOM 855 N LEU A 60 4.240 3.930 -8.201 1.00 0.00 N ATOM 856 CA LEU A 60 5.396 3.863 -7.320 1.00 0.00 C ATOM 857 C LEU A 60 4.928 3.818 -5.868 1.00 0.00 C ATOM 858 O LEU A 60 4.447 4.820 -5.330 1.00 0.00 O ATOM 859 CB LEU A 60 6.322 5.077 -7.552 1.00 0.00 C ATOM 860 CG LEU A 60 7.821 4.868 -7.242 1.00 0.00 C ATOM 861 CD1 LEU A 60 8.612 6.142 -7.539 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.042 4.429 -5.795 1.00 0.00 C ATOM 0 H LEU A 60 3.899 4.875 -8.375 1.00 0.00 H new ATOM 0 HA LEU A 60 5.962 2.958 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.228 5.384 -8.594 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.959 5.905 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 60 8.182 4.069 -7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.666 5.977 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.501 6.402 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.234 6.957 -6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.108 4.292 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.655 5.192 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.520 3.489 -5.616 1.00 0.00 H new ATOM 874 N ILE A 61 5.042 2.648 -5.249 1.00 0.00 N ATOM 875 CA ILE A 61 4.757 2.501 -3.831 1.00 0.00 C ATOM 876 C ILE A 61 5.947 3.020 -3.027 1.00 0.00 C ATOM 877 O ILE A 61 6.864 2.271 -2.690 1.00 0.00 O ATOM 878 CB ILE A 61 4.458 1.024 -3.452 1.00 0.00 C ATOM 879 CG1 ILE A 61 3.285 0.477 -4.288 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.159 0.894 -1.958 1.00 0.00 C ATOM 881 CD1 ILE A 61 1.983 1.232 -4.093 1.00 0.00 C ATOM 0 H ILE A 61 5.331 1.786 -5.711 1.00 0.00 H new ATOM 0 HA ILE A 61 3.865 3.082 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 61 5.346 0.431 -3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.558 0.510 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.127 -0.571 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.953 -0.149 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.020 1.236 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.291 1.503 -1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.207 0.786 -4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.684 1.178 -3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.121 2.275 -4.377 1.00 0.00 H new ATOM 893 N HIS A 62 5.950 4.322 -2.782 1.00 0.00 N ATOM 894 CA HIS A 62 7.051 4.987 -2.091 1.00 0.00 C ATOM 895 C HIS A 62 6.776 5.005 -0.586 1.00 0.00 C ATOM 896 O HIS A 62 5.664 4.696 -0.155 1.00 0.00 O ATOM 897 CB HIS A 62 7.202 6.412 -2.647 1.00 0.00 C ATOM 898 CG HIS A 62 8.536 7.048 -2.390 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.736 8.084 -1.509 1.00 0.00 N ATOM 900 CD2 HIS A 62 9.744 6.807 -2.961 1.00 0.00 C ATOM 901 CE1 HIS A 62 10.022 8.437 -1.570 1.00 0.00 C ATOM 902 NE2 HIS A 62 10.682 7.690 -2.437 1.00 0.00 N ATOM 0 H HIS A 62 5.192 4.948 -3.055 1.00 0.00 H new ATOM 0 HA HIS A 62 7.983 4.448 -2.257 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.028 6.388 -3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.425 7.041 -2.212 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.026 8.509 -0.913 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.945 6.050 -3.704 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.465 9.230 -0.986 1.00 0.00 H new ATOM 910 N GLY A 63 7.782 5.353 0.209 1.00 0.00 N ATOM 911 CA GLY A 63 7.624 5.363 1.653 1.00 0.00 C ATOM 912 C GLY A 63 8.524 6.384 2.318 1.00 0.00 C ATOM 913 O GLY A 63 9.751 6.234 2.317 1.00 0.00 O ATOM 0 H GLY A 63 8.707 5.629 -0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.585 5.579 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.847 4.372 2.048 1.00 0.00 H new ATOM 917 N GLU A 64 7.918 7.415 2.902 1.00 0.00 N ATOM 918 CA GLU A 64 8.659 8.516 3.508 1.00 0.00 C ATOM 919 C GLU A 64 7.922 9.054 4.736 1.00 0.00 C ATOM 920 O GLU A 64 7.011 8.402 5.251 1.00 0.00 O ATOM 921 CB GLU A 64 8.877 9.642 2.480 1.00 0.00 C ATOM 922 CG GLU A 64 7.600 10.351 2.021 1.00 0.00 C ATOM 923 CD GLU A 64 6.548 9.414 1.438 1.00 0.00 C ATOM 924 OE1 GLU A 64 6.764 8.884 0.330 1.00 0.00 O ATOM 925 OE2 GLU A 64 5.505 9.209 2.093 1.00 0.00 O ATOM 0 H GLU A 64 6.905 7.510 2.968 1.00 0.00 H new ATOM 0 HA GLU A 64 9.631 8.140 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.551 10.382 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.378 9.225 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.168 10.884 2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.861 11.099 1.272 1.00 0.00 H new ATOM 932 N ARG A 65 8.355 10.224 5.225 1.00 0.00 N ATOM 933 CA ARG A 65 7.678 10.911 6.335 1.00 0.00 C ATOM 934 C ARG A 65 7.613 9.996 7.563 1.00 0.00 C ATOM 935 O ARG A 65 6.658 10.045 8.339 1.00 0.00 O ATOM 936 CB ARG A 65 6.257 11.345 5.902 1.00 0.00 C ATOM 937 CG ARG A 65 6.005 12.855 5.918 1.00 0.00 C ATOM 938 CD ARG A 65 6.118 13.451 7.322 1.00 0.00 C ATOM 939 NE ARG A 65 5.520 14.789 7.401 1.00 0.00 N ATOM 940 CZ ARG A 65 5.957 15.773 8.192 1.00 0.00 C ATOM 941 NH1 ARG A 65 7.067 15.623 8.902 1.00 0.00 N ATOM 942 NH2 ARG A 65 5.287 16.915 8.254 1.00 0.00 N ATOM 0 H ARG A 65 9.174 10.716 4.868 1.00 0.00 H new ATOM 0 HA ARG A 65 8.247 11.802 6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.071 10.972 4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.532 10.864 6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.720 13.347 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.011 13.059 5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.626 12.791 8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.168 13.506 7.609 1.00 0.00 H new ATOM 0 HE ARG A 65 4.712 14.982 6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.594 14.751 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.394 16.379 9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.441 17.040 7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.618 17.668 8.857 1.00 0.00 H new ATOM 956 N GLN A 66 8.661 9.192 7.740 1.00 0.00 N ATOM 957 CA GLN A 66 8.694 8.143 8.765 1.00 0.00 C ATOM 958 C GLN A 66 8.627 8.709 10.189 1.00 0.00 C ATOM 959 O GLN A 66 8.433 7.965 11.147 1.00 0.00 O ATOM 960 CB GLN A 66 9.952 7.284 8.575 1.00 0.00 C ATOM 961 CG GLN A 66 10.049 6.689 7.174 1.00 0.00 C ATOM 962 CD GLN A 66 8.887 5.766 6.845 1.00 0.00 C ATOM 963 OE1 GLN A 66 8.371 5.072 7.714 1.00 0.00 O ATOM 964 NE2 GLN A 66 8.448 5.776 5.592 1.00 0.00 N ATOM 0 H GLN A 66 9.511 9.247 7.179 1.00 0.00 H new ATOM 0 HA GLN A 66 7.805 7.524 8.640 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.836 7.892 8.770 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.952 6.478 9.309 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.084 7.497 6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.984 6.136 7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.904 6.367 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.655 5.193 5.325 1.00 0.00 H new ATOM 973 N LYS A 67 8.790 10.025 10.315 1.00 0.00 N ATOM 974 CA LYS A 67 8.608 10.714 11.592 1.00 0.00 C ATOM 975 C LYS A 67 8.731 12.220 11.378 1.00 0.00 C ATOM 976 O LYS A 67 7.773 12.968 11.591 1.00 0.00 O ATOM 977 CB LYS A 67 9.611 10.216 12.646 1.00 0.00 C ATOM 978 CG LYS A 67 9.396 10.811 14.036 1.00 0.00 C ATOM 979 CD LYS A 67 10.071 9.976 15.122 1.00 0.00 C ATOM 980 CE LYS A 67 11.576 9.857 14.914 1.00 0.00 C ATOM 981 NZ LYS A 67 12.202 8.970 15.930 1.00 0.00 N ATOM 0 H LYS A 67 9.049 10.639 9.543 1.00 0.00 H new ATOM 0 HA LYS A 67 7.612 10.491 11.973 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.544 9.130 12.712 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.621 10.453 12.312 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.790 11.827 14.061 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.328 10.878 14.241 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.876 10.426 16.096 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.629 8.980 15.137 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.776 9.466 13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.030 10.847 14.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.226 8.913 15.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.032 9.357 16.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.786 8.019 15.864 1.00 0.00 H new ATOM 995 N ASP A 68 9.912 12.662 10.954 1.00 0.00 N ATOM 996 CA ASP A 68 10.104 14.045 10.518 1.00 0.00 C ATOM 997 C ASP A 68 10.210 14.093 8.994 1.00 0.00 C ATOM 998 O ASP A 68 9.210 14.281 8.301 1.00 0.00 O ATOM 999 CB ASP A 68 11.349 14.666 11.171 1.00 0.00 C ATOM 1000 CG ASP A 68 11.641 16.069 10.655 1.00 0.00 C ATOM 1001 OD1 ASP A 68 10.876 16.998 10.985 1.00 0.00 O ATOM 1002 OD2 ASP A 68 12.638 16.247 9.919 1.00 0.00 O ATOM 0 H ASP A 68 10.751 12.084 10.903 1.00 0.00 H new ATOM 0 HA ASP A 68 9.242 14.633 10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.209 14.702 12.251 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.211 14.026 10.982 1.00 0.00 H new ATOM 1007 N LYS A 69 11.413 13.871 8.480 1.00 0.00 N ATOM 1008 CA LYS A 69 11.659 13.855 7.042 1.00 0.00 C ATOM 1009 C LYS A 69 12.647 12.742 6.719 1.00 0.00 C ATOM 1010 O LYS A 69 13.828 12.842 7.049 1.00 0.00 O ATOM 1011 CB LYS A 69 12.210 15.213 6.579 1.00 0.00 C ATOM 1012 CG LYS A 69 12.523 15.281 5.086 1.00 0.00 C ATOM 1013 CD LYS A 69 13.042 16.657 4.656 1.00 0.00 C ATOM 1014 CE LYS A 69 14.446 16.962 5.189 1.00 0.00 C ATOM 1015 NZ LYS A 69 14.478 17.145 6.667 1.00 0.00 N ATOM 0 H LYS A 69 12.244 13.697 9.045 1.00 0.00 H new ATOM 0 HA LYS A 69 10.723 13.672 6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.485 15.990 6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.117 15.436 7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.266 14.523 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.624 15.042 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.053 16.711 3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.352 17.425 5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.118 16.149 4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.824 17.864 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.182 17.870 6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.540 17.447 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.734 16.246 7.123 1.00 0.00 H new ATOM 1029 N LEU A 70 12.162 11.674 6.095 1.00 0.00 N ATOM 1030 CA LEU A 70 12.980 10.493 5.864 1.00 0.00 C ATOM 1031 C LEU A 70 12.341 9.603 4.809 1.00 0.00 C ATOM 1032 O LEU A 70 11.171 9.231 4.935 1.00 0.00 O ATOM 1033 CB LEU A 70 13.155 9.709 7.175 1.00 0.00 C ATOM 1034 CG LEU A 70 14.089 8.490 7.098 1.00 0.00 C ATOM 1035 CD1 LEU A 70 15.516 8.923 6.777 1.00 0.00 C ATOM 1036 CD2 LEU A 70 14.040 7.690 8.399 1.00 0.00 C ATOM 0 H LEU A 70 11.208 11.604 5.741 1.00 0.00 H new ATOM 0 HA LEU A 70 13.959 10.812 5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.536 10.389 7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.174 9.372 7.510 1.00 0.00 H new ATOM 0 HG LEU A 70 13.743 7.844 6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.160 8.045 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.532 9.440 5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.877 9.594 7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.708 6.832 8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.355 8.324 9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.022 7.343 8.575 1.00 0.00 H new ATOM 1048 N VAL A 71 13.102 9.302 3.761 1.00 0.00 N ATOM 1049 CA VAL A 71 12.695 8.344 2.737 1.00 0.00 C ATOM 1050 C VAL A 71 13.345 6.992 3.019 1.00 0.00 C ATOM 1051 O VAL A 71 14.536 6.931 3.338 1.00 0.00 O ATOM 1052 CB VAL A 71 13.100 8.827 1.320 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.787 7.765 0.266 1.00 0.00 C ATOM 1054 CG2 VAL A 71 12.411 10.151 0.983 1.00 0.00 C ATOM 0 H VAL A 71 14.020 9.716 3.597 1.00 0.00 H new ATOM 0 HA VAL A 71 11.609 8.252 2.768 1.00 0.00 H new ATOM 0 HB VAL A 71 14.177 8.993 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.081 8.131 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.338 6.853 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.718 7.553 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.709 10.472 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.330 10.017 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.703 10.909 1.710 1.00 0.00 H new ATOM 1064 N VAL A 72 12.569 5.912 2.916 1.00 0.00 N ATOM 1065 CA VAL A 72 13.076 4.572 3.224 1.00 0.00 C ATOM 1066 C VAL A 72 12.663 3.542 2.168 1.00 0.00 C ATOM 1067 O VAL A 72 13.468 2.700 1.772 1.00 0.00 O ATOM 1068 CB VAL A 72 12.604 4.082 4.624 1.00 0.00 C ATOM 1069 CG1 VAL A 72 13.133 4.993 5.731 1.00 0.00 C ATOM 1070 CG2 VAL A 72 11.079 3.980 4.689 1.00 0.00 C ATOM 0 H VAL A 72 11.592 5.937 2.623 1.00 0.00 H new ATOM 0 HA VAL A 72 14.163 4.658 3.224 1.00 0.00 H new ATOM 0 HB VAL A 72 13.015 3.084 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.788 4.628 6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.223 4.995 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.766 6.007 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.779 3.635 5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.640 4.959 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.729 3.273 3.937 1.00 0.00 H new ATOM 1080 N LEU A 73 11.421 3.613 1.698 1.00 0.00 N ATOM 1081 CA LEU A 73 10.872 2.562 0.841 1.00 0.00 C ATOM 1082 C LEU A 73 10.466 3.128 -0.518 1.00 0.00 C ATOM 1083 O LEU A 73 9.995 4.261 -0.614 1.00 0.00 O ATOM 1084 CB LEU A 73 9.671 1.899 1.554 1.00 0.00 C ATOM 1085 CG LEU A 73 9.142 0.570 0.959 1.00 0.00 C ATOM 1086 CD1 LEU A 73 8.254 0.804 -0.264 1.00 0.00 C ATOM 1087 CD2 LEU A 73 10.299 -0.373 0.619 1.00 0.00 C ATOM 0 H LEU A 73 10.778 4.381 1.893 1.00 0.00 H new ATOM 0 HA LEU A 73 11.636 1.806 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.952 1.717 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.849 2.614 1.567 1.00 0.00 H new ATOM 0 HG LEU A 73 8.524 0.097 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.905 -0.154 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.397 1.415 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.826 1.319 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.903 -1.299 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.953 0.103 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.866 -0.595 1.523 1.00 0.00 H new ATOM 1099 N GLU A 74 10.680 2.332 -1.560 1.00 0.00 N ATOM 1100 CA GLU A 74 10.227 2.659 -2.906 1.00 0.00 C ATOM 1101 C GLU A 74 10.130 1.385 -3.747 1.00 0.00 C ATOM 1102 O GLU A 74 11.138 0.744 -4.051 1.00 0.00 O ATOM 1103 CB GLU A 74 11.161 3.677 -3.575 1.00 0.00 C ATOM 1104 CG GLU A 74 12.628 3.268 -3.588 1.00 0.00 C ATOM 1105 CD GLU A 74 13.490 4.228 -4.385 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.463 4.159 -5.634 1.00 0.00 O ATOM 1107 OE2 GLU A 74 14.190 5.064 -3.774 1.00 0.00 O ATOM 0 H GLU A 74 11.173 1.441 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 74 9.239 3.114 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.831 3.835 -4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.067 4.633 -3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.997 3.218 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.719 2.267 -4.009 1.00 0.00 H new ATOM 1114 N CYS A 75 8.908 1.012 -4.098 1.00 0.00 N ATOM 1115 CA CYS A 75 8.660 -0.172 -4.906 1.00 0.00 C ATOM 1116 C CYS A 75 7.822 0.220 -6.123 1.00 0.00 C ATOM 1117 O CYS A 75 6.604 0.380 -6.034 1.00 0.00 O ATOM 1118 CB CYS A 75 7.967 -1.256 -4.060 1.00 0.00 C ATOM 1119 SG CYS A 75 7.698 -2.821 -4.921 1.00 0.00 S ATOM 0 H CYS A 75 8.064 1.519 -3.832 1.00 0.00 H new ATOM 0 HA CYS A 75 9.603 -0.590 -5.258 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.568 -1.444 -3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.005 -0.873 -3.720 1.00 0.00 H new ATOM 0 HG CYS A 75 8.121 -3.802 -4.180 1.00 0.00 H new ATOM 1125 N TYR A 76 8.501 0.425 -7.248 1.00 0.00 N ATOM 1126 CA TYR A 76 7.860 0.881 -8.480 1.00 0.00 C ATOM 1127 C TYR A 76 7.358 -0.301 -9.305 1.00 0.00 C ATOM 1128 O TYR A 76 8.073 -1.292 -9.480 1.00 0.00 O ATOM 1129 CB TYR A 76 8.857 1.714 -9.303 1.00 0.00 C ATOM 1130 CG TYR A 76 8.357 2.115 -10.684 1.00 0.00 C ATOM 1131 CD1 TYR A 76 7.596 3.265 -10.868 1.00 0.00 C ATOM 1132 CD2 TYR A 76 8.651 1.340 -11.804 1.00 0.00 C ATOM 1133 CE1 TYR A 76 7.144 3.628 -12.124 1.00 0.00 C ATOM 1134 CE2 TYR A 76 8.202 1.698 -13.061 1.00 0.00 C ATOM 1135 CZ TYR A 76 7.450 2.842 -13.216 1.00 0.00 C ATOM 1136 OH TYR A 76 6.999 3.198 -14.468 1.00 0.00 O ATOM 0 H TYR A 76 9.507 0.281 -7.333 1.00 0.00 H new ATOM 0 HA TYR A 76 7.001 1.498 -8.216 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.105 2.616 -8.744 1.00 0.00 H new ATOM 0 HB3 TYR A 76 9.780 1.145 -9.416 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.354 3.884 -10.017 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.241 0.443 -11.688 1.00 0.00 H new ATOM 0 HE1 TYR A 76 6.554 4.524 -12.249 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.439 1.084 -13.917 1.00 0.00 H new ATOM 0 HH TYR A 76 7.304 2.538 -15.125 1.00 0.00 H new ATOM 1146 N VAL A 77 6.131 -0.189 -9.807 1.00 0.00 N ATOM 1147 CA VAL A 77 5.545 -1.199 -10.679 1.00 0.00 C ATOM 1148 C VAL A 77 4.733 -0.515 -11.770 1.00 0.00 C ATOM 1149 O VAL A 77 4.139 0.538 -11.536 1.00 0.00 O ATOM 1150 CB VAL A 77 4.631 -2.182 -9.898 1.00 0.00 C ATOM 1151 CG1 VAL A 77 5.429 -2.945 -8.844 1.00 0.00 C ATOM 1152 CG2 VAL A 77 3.451 -1.447 -9.258 1.00 0.00 C ATOM 0 H VAL A 77 5.517 0.604 -9.620 1.00 0.00 H new ATOM 0 HA VAL A 77 6.361 -1.776 -11.115 1.00 0.00 H new ATOM 0 HB VAL A 77 4.231 -2.903 -10.610 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.767 -3.627 -8.310 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.222 -3.514 -9.329 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.868 -2.239 -8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.828 -2.160 -8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.825 -0.693 -8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.859 -0.964 -10.035 1.00 0.00 H new ATOM 1162 N ARG A 78 4.725 -1.087 -12.964 1.00 0.00 N ATOM 1163 CA ARG A 78 3.927 -0.541 -14.061 1.00 0.00 C ATOM 1164 C ARG A 78 3.098 -1.645 -14.719 1.00 0.00 C ATOM 1165 O ARG A 78 2.067 -1.384 -15.335 1.00 0.00 O ATOM 1166 CB ARG A 78 4.836 0.166 -15.082 1.00 0.00 C ATOM 1167 CG ARG A 78 4.092 0.744 -16.288 1.00 0.00 C ATOM 1168 CD ARG A 78 4.949 1.737 -17.072 1.00 0.00 C ATOM 1169 NE ARG A 78 6.241 1.173 -17.469 1.00 0.00 N ATOM 1170 CZ ARG A 78 6.964 1.600 -18.508 1.00 0.00 C ATOM 1171 NH1 ARG A 78 6.505 2.563 -19.299 1.00 0.00 N ATOM 1172 NH2 ARG A 78 8.146 1.057 -18.754 1.00 0.00 N ATOM 0 H ARG A 78 5.257 -1.924 -13.202 1.00 0.00 H new ATOM 0 HA ARG A 78 3.235 0.200 -13.661 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.371 0.971 -14.579 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.585 -0.542 -15.436 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.785 -0.068 -16.947 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.183 1.240 -15.948 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.407 2.056 -17.962 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.116 2.626 -16.465 1.00 0.00 H new ATOM 0 HE ARG A 78 6.614 0.402 -16.915 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.594 2.983 -19.115 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.064 2.883 -20.090 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.502 0.315 -18.151 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.701 1.380 -19.546 1.00 0.00 H new ATOM 1186 N LYS A 79 3.572 -2.879 -14.584 1.00 0.00 N ATOM 1187 CA LYS A 79 2.855 -4.065 -15.055 1.00 0.00 C ATOM 1188 C LYS A 79 3.419 -5.287 -14.340 1.00 0.00 C ATOM 1189 O LYS A 79 3.383 -6.406 -14.853 1.00 0.00 O ATOM 1190 CB LYS A 79 2.982 -4.228 -16.586 1.00 0.00 C ATOM 1191 CG LYS A 79 4.416 -4.406 -17.100 1.00 0.00 C ATOM 1192 CD LYS A 79 5.208 -3.100 -17.070 1.00 0.00 C ATOM 1193 CE LYS A 79 6.658 -3.303 -17.484 1.00 0.00 C ATOM 1194 NZ LYS A 79 7.382 -4.207 -16.551 1.00 0.00 N ATOM 0 H LYS A 79 4.468 -3.089 -14.143 1.00 0.00 H new ATOM 0 HA LYS A 79 1.794 -3.956 -14.830 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.391 -5.090 -16.895 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.545 -3.353 -17.067 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.927 -5.153 -16.493 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.389 -4.789 -18.120 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.739 -2.376 -17.736 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.173 -2.678 -16.066 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.693 -3.718 -18.491 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.164 -2.338 -17.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.405 -4.135 -16.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.174 -3.932 -15.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.073 -5.188 -16.708 1.00 0.00 H new ATOM 1208 N ASP A 80 3.906 -5.055 -13.123 1.00 0.00 N ATOM 1209 CA ASP A 80 4.719 -6.033 -12.405 1.00 0.00 C ATOM 1210 C ASP A 80 4.158 -6.279 -11.007 1.00 0.00 C ATOM 1211 O ASP A 80 3.260 -5.560 -10.563 1.00 0.00 O ATOM 1212 CB ASP A 80 6.160 -5.502 -12.273 1.00 0.00 C ATOM 1213 CG ASP A 80 6.690 -4.879 -13.559 1.00 0.00 C ATOM 1214 OD1 ASP A 80 6.351 -3.702 -13.843 1.00 0.00 O ATOM 1215 OD2 ASP A 80 7.445 -5.550 -14.290 1.00 0.00 O ATOM 0 H ASP A 80 3.749 -4.188 -12.609 1.00 0.00 H new ATOM 0 HA ASP A 80 4.707 -6.969 -12.964 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.195 -4.760 -11.476 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.816 -6.320 -11.976 1.00 0.00 H new ATOM 1220 N LEU A 81 4.701 -7.302 -10.333 1.00 0.00 N ATOM 1221 CA LEU A 81 4.472 -7.519 -8.898 1.00 0.00 C ATOM 1222 C LEU A 81 3.055 -8.031 -8.609 1.00 0.00 C ATOM 1223 O LEU A 81 2.113 -7.771 -9.360 1.00 0.00 O ATOM 1224 CB LEU A 81 4.779 -6.208 -8.143 1.00 0.00 C ATOM 1225 CG LEU A 81 4.756 -6.249 -6.602 1.00 0.00 C ATOM 1226 CD1 LEU A 81 5.663 -5.160 -6.036 1.00 0.00 C ATOM 1227 CD2 LEU A 81 3.338 -6.068 -6.063 1.00 0.00 C ATOM 0 H LEU A 81 5.308 -7.999 -10.764 1.00 0.00 H new ATOM 0 HA LEU A 81 5.143 -8.302 -8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.765 -5.864 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.061 -5.456 -8.470 1.00 0.00 H new ATOM 0 HG LEU A 81 5.119 -7.227 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.640 -5.197 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.684 -5.320 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.314 -4.184 -6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.356 -6.102 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.945 -5.105 -6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.700 -6.868 -6.440 1.00 0.00 H new ATOM 1239 N VAL A 82 2.925 -8.784 -7.516 1.00 0.00 N ATOM 1240 CA VAL A 82 1.637 -9.302 -7.064 1.00 0.00 C ATOM 1241 C VAL A 82 1.548 -9.203 -5.539 1.00 0.00 C ATOM 1242 O VAL A 82 2.541 -9.422 -4.839 1.00 0.00 O ATOM 1243 CB VAL A 82 1.426 -10.774 -7.515 1.00 0.00 C ATOM 1244 CG1 VAL A 82 2.513 -11.689 -6.950 1.00 0.00 C ATOM 1245 CG2 VAL A 82 0.034 -11.271 -7.125 1.00 0.00 C ATOM 0 H VAL A 82 3.710 -9.051 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 82 0.850 -8.699 -7.517 1.00 0.00 H new ATOM 0 HB VAL A 82 1.502 -10.802 -8.602 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.337 -12.712 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.489 -11.355 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.489 -11.653 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.088 -12.304 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.082 -11.217 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.722 -10.647 -7.602 1.00 0.00 H new ATOM 1255 N TYR A 83 0.369 -8.850 -5.032 1.00 0.00 N ATOM 1256 CA TYR A 83 0.169 -8.671 -3.594 1.00 0.00 C ATOM 1257 C TYR A 83 -0.371 -9.946 -2.952 1.00 0.00 C ATOM 1258 O TYR A 83 -0.823 -10.866 -3.640 1.00 0.00 O ATOM 1259 CB TYR A 83 -0.802 -7.513 -3.310 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.333 -6.156 -3.802 1.00 0.00 C ATOM 1261 CD1 TYR A 83 -0.253 -5.871 -5.162 1.00 0.00 C ATOM 1262 CD2 TYR A 83 0.011 -5.153 -2.902 1.00 0.00 C ATOM 1263 CE1 TYR A 83 0.155 -4.627 -5.608 1.00 0.00 C ATOM 1264 CE2 TYR A 83 0.421 -3.909 -3.341 1.00 0.00 C ATOM 1265 CZ TYR A 83 0.491 -3.650 -4.694 1.00 0.00 C ATOM 1266 OH TYR A 83 0.896 -2.411 -5.134 1.00 0.00 O ATOM 0 H TYR A 83 -0.464 -8.682 -5.596 1.00 0.00 H new ATOM 0 HA TYR A 83 1.141 -8.436 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.762 -7.740 -3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.973 -7.455 -2.235 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -0.514 -6.634 -5.881 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -0.043 -5.350 -1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.210 -4.422 -6.667 1.00 0.00 H new ATOM 0 HE2 TYR A 83 0.686 -3.142 -2.628 1.00 0.00 H new ATOM 0 HH TYR A 83 1.095 -1.839 -4.363 1.00 0.00 H new ATOM 1276 N THR A 84 -0.319 -9.980 -1.630 1.00 0.00 N ATOM 1277 CA THR A 84 -0.850 -11.074 -0.835 1.00 0.00 C ATOM 1278 C THR A 84 -1.262 -10.539 0.536 1.00 0.00 C ATOM 1279 O THR A 84 -0.414 -10.147 1.341 1.00 0.00 O ATOM 1280 CB THR A 84 0.188 -12.210 -0.654 1.00 0.00 C ATOM 1281 OG1 THR A 84 0.616 -12.696 -1.936 1.00 0.00 O ATOM 1282 CG2 THR A 84 -0.393 -13.365 0.161 1.00 0.00 C ATOM 0 H THR A 84 0.100 -9.237 -1.071 1.00 0.00 H new ATOM 0 HA THR A 84 -1.710 -11.490 -1.359 1.00 0.00 H new ATOM 0 HB THR A 84 1.041 -11.800 -0.114 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.273 -13.412 -1.812 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.359 -14.147 0.271 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.687 -13.003 1.146 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.265 -13.770 -0.352 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.563 -10.487 0.786 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.078 -9.982 2.052 1.00 0.00 C ATOM 1292 C LYS A 85 -3.648 -11.118 2.892 1.00 0.00 C ATOM 1293 O LYS A 85 -4.300 -12.027 2.371 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.121 -8.872 1.803 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.219 -9.211 0.786 1.00 0.00 C ATOM 1296 CD LYS A 85 -6.358 -10.027 1.394 1.00 0.00 C ATOM 1297 CE LYS A 85 -7.494 -10.241 0.402 1.00 0.00 C ATOM 1298 NZ LYS A 85 -8.064 -8.954 -0.081 1.00 0.00 N ATOM 0 H LYS A 85 -3.282 -10.789 0.128 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.256 -9.542 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.594 -8.623 2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.599 -7.977 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.621 -8.287 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.781 -9.768 -0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.977 -10.993 1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.739 -9.516 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.129 -10.817 -0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.280 -10.831 0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.954 -9.137 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.249 -8.330 0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.388 -8.494 -0.724 1.00 0.00 H new ATOM 1312 N ALA A 86 -3.369 -11.078 4.189 1.00 0.00 N ATOM 1313 CA ALA A 86 -3.866 -12.085 5.120 1.00 0.00 C ATOM 1314 C ALA A 86 -4.949 -11.483 6.002 1.00 0.00 C ATOM 1315 O ALA A 86 -6.011 -12.077 6.200 1.00 0.00 O ATOM 1316 CB ALA A 86 -2.722 -12.633 5.971 1.00 0.00 C ATOM 0 H ALA A 86 -2.797 -10.354 4.623 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.295 -12.911 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.109 -13.383 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.972 -13.087 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.268 -11.820 6.537 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.669 -10.288 6.511 1.00 0.00 N ATOM 1323 CA ASN A 87 -5.588 -9.563 7.383 1.00 0.00 C ATOM 1324 C ASN A 87 -5.677 -8.109 6.926 1.00 0.00 C ATOM 1325 O ASN A 87 -4.774 -7.625 6.240 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.108 -9.628 8.848 1.00 0.00 C ATOM 1327 CG ASN A 87 -5.210 -11.021 9.452 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -6.081 -11.811 9.085 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -4.334 -11.327 10.396 1.00 0.00 N ATOM 0 H ASN A 87 -3.796 -9.793 6.330 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.574 -10.025 7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.072 -9.292 8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.698 -8.935 9.448 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.367 -12.242 10.845 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.626 -10.647 10.675 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.753 -7.385 7.290 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.897 -5.962 6.937 1.00 0.00 C ATOM 1338 C PRO A 88 -5.764 -5.110 7.521 1.00 0.00 C ATOM 1339 O PRO A 88 -5.496 -4.004 7.051 1.00 0.00 O ATOM 1340 CB PRO A 88 -8.256 -5.567 7.545 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.541 -6.614 8.573 1.00 0.00 C ATOM 1342 CD PRO A 88 -7.917 -7.879 8.054 1.00 0.00 C ATOM 0 HA PRO A 88 -6.849 -5.799 5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.214 -4.575 7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.036 -5.539 6.784 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.119 -6.338 9.539 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.614 -6.738 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.616 -8.543 8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.606 -8.440 7.422 1.00 0.00 H new ATOM 1350 N THR A 89 -5.099 -5.642 8.545 1.00 0.00 N ATOM 1351 CA THR A 89 -3.997 -4.946 9.206 1.00 0.00 C ATOM 1352 C THR A 89 -2.635 -5.461 8.731 1.00 0.00 C ATOM 1353 O THR A 89 -1.596 -5.011 9.210 1.00 0.00 O ATOM 1354 CB THR A 89 -4.104 -5.107 10.738 1.00 0.00 C ATOM 1355 OG1 THR A 89 -4.231 -6.497 11.069 1.00 0.00 O ATOM 1356 CG2 THR A 89 -5.302 -4.337 11.289 1.00 0.00 C ATOM 0 H THR A 89 -5.307 -6.560 8.937 1.00 0.00 H new ATOM 0 HA THR A 89 -4.073 -3.891 8.942 1.00 0.00 H new ATOM 0 HB THR A 89 -3.199 -4.701 11.189 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.297 -6.597 12.042 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.353 -4.468 12.370 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.192 -3.278 11.057 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.218 -4.715 10.834 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.640 -6.392 7.779 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.400 -6.976 7.261 1.00 0.00 C ATOM 1366 C PHE A 90 -1.565 -7.320 5.778 1.00 0.00 C ATOM 1367 O PHE A 90 -2.177 -8.334 5.421 1.00 0.00 O ATOM 1368 CB PHE A 90 -1.007 -8.221 8.085 1.00 0.00 C ATOM 1369 CG PHE A 90 0.271 -8.902 7.633 1.00 0.00 C ATOM 1370 CD1 PHE A 90 1.517 -8.513 8.128 1.00 0.00 C ATOM 1371 CD2 PHE A 90 0.221 -9.944 6.715 1.00 0.00 C ATOM 1372 CE1 PHE A 90 2.671 -9.149 7.711 1.00 0.00 C ATOM 1373 CE2 PHE A 90 1.375 -10.578 6.298 1.00 0.00 C ATOM 1374 CZ PHE A 90 2.598 -10.180 6.796 1.00 0.00 C ATOM 0 H PHE A 90 -3.489 -6.760 7.349 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.595 -6.248 7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.897 -7.929 9.129 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.823 -8.942 8.040 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.580 -7.707 8.844 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.733 -10.262 6.322 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.629 -8.840 8.101 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.320 -11.385 5.582 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.500 -10.676 6.470 1.00 0.00 H new ATOM 1384 N HIS A 91 -1.020 -6.456 4.925 1.00 0.00 N ATOM 1385 CA HIS A 91 -1.120 -6.595 3.472 1.00 0.00 C ATOM 1386 C HIS A 91 0.272 -6.432 2.872 1.00 0.00 C ATOM 1387 O HIS A 91 0.840 -5.337 2.899 1.00 0.00 O ATOM 1388 CB HIS A 91 -2.076 -5.519 2.920 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.466 -5.665 1.470 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.729 -5.376 1.004 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -1.740 -6.021 0.371 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -3.736 -5.552 -0.320 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -2.556 -5.944 -0.757 1.00 0.00 N ATOM 0 H HIS A 91 -0.493 -5.635 5.223 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.514 -7.577 3.209 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.984 -5.524 3.523 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -1.610 -4.543 3.054 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.522 -5.079 1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.701 -6.315 0.374 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.598 -5.393 -0.951 1.00 0.00 H new ATOM 1401 N HIS A 92 0.836 -7.518 2.353 1.00 0.00 N ATOM 1402 CA HIS A 92 2.192 -7.484 1.815 1.00 0.00 C ATOM 1403 C HIS A 92 2.196 -7.877 0.346 1.00 0.00 C ATOM 1404 O HIS A 92 1.145 -8.120 -0.242 1.00 0.00 O ATOM 1405 CB HIS A 92 3.124 -8.416 2.611 1.00 0.00 C ATOM 1406 CG HIS A 92 2.953 -9.878 2.304 1.00 0.00 C ATOM 1407 ND1 HIS A 92 3.678 -10.548 1.339 1.00 0.00 N ATOM 1408 CD2 HIS A 92 2.140 -10.808 2.869 1.00 0.00 C ATOM 1409 CE1 HIS A 92 3.295 -11.829 1.349 1.00 0.00 C ATOM 1410 NE2 HIS A 92 2.362 -12.042 2.261 1.00 0.00 N ATOM 0 H HIS A 92 0.379 -8.428 2.293 1.00 0.00 H new ATOM 0 HA HIS A 92 2.562 -6.463 1.908 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.157 -8.134 2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.952 -8.259 3.676 1.00 0.00 H new ATOM 0 HD1 HIS A 92 4.382 -10.138 0.726 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.433 -10.621 3.664 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.696 -12.591 0.697 1.00 0.00 H new ATOM 1418 N TRP A 93 3.384 -7.917 -0.239 1.00 0.00 N ATOM 1419 CA TRP A 93 3.567 -8.391 -1.602 1.00 0.00 C ATOM 1420 C TRP A 93 4.939 -9.039 -1.737 1.00 0.00 C ATOM 1421 O TRP A 93 5.631 -9.244 -0.734 1.00 0.00 O ATOM 1422 CB TRP A 93 3.398 -7.236 -2.600 1.00 0.00 C ATOM 1423 CG TRP A 93 4.320 -6.076 -2.363 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.607 -5.950 -2.795 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.021 -4.874 -1.643 1.00 0.00 C ATOM 1426 NE1 TRP A 93 6.118 -4.740 -2.406 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.170 -4.066 -1.690 1.00 0.00 C ATOM 1428 CE3 TRP A 93 2.895 -4.405 -0.965 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 5.225 -2.813 -1.088 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 2.951 -3.163 -0.365 1.00 0.00 C ATOM 1431 CH2 TRP A 93 4.108 -2.378 -0.432 1.00 0.00 C ATOM 0 H TRP A 93 4.247 -7.622 0.218 1.00 0.00 H new ATOM 0 HA TRP A 93 2.806 -9.138 -1.829 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.562 -7.616 -3.608 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.368 -6.881 -2.557 1.00 0.00 H new ATOM 0 HD1 TRP A 93 6.145 -6.696 -3.361 1.00 0.00 H new ATOM 0 HE1 TRP A 93 7.055 -4.398 -2.617 1.00 0.00 H new ATOM 0 HE3 TRP A 93 1.997 -5.002 -0.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.117 -2.207 -1.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 2.087 -2.791 0.165 1.00 0.00 H new ATOM 0 HH2 TRP A 93 4.118 -1.409 0.044 1.00 0.00 H new ATOM 1442 N LYS A 94 5.331 -9.365 -2.963 1.00 0.00 N ATOM 1443 CA LYS A 94 6.605 -10.030 -3.203 1.00 0.00 C ATOM 1444 C LYS A 94 7.148 -9.690 -4.589 1.00 0.00 C ATOM 1445 O LYS A 94 6.384 -9.471 -5.533 1.00 0.00 O ATOM 1446 CB LYS A 94 6.437 -11.550 -3.065 1.00 0.00 C ATOM 1447 CG LYS A 94 5.460 -12.152 -4.072 1.00 0.00 C ATOM 1448 CD LYS A 94 5.215 -13.638 -3.822 1.00 0.00 C ATOM 1449 CE LYS A 94 6.499 -14.459 -3.906 1.00 0.00 C ATOM 1450 NZ LYS A 94 6.243 -15.908 -3.684 1.00 0.00 N ATOM 0 H LYS A 94 4.786 -9.180 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 94 7.320 -9.676 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.410 -12.027 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.093 -11.779 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.512 -11.616 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.850 -12.015 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.766 -13.769 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.498 -14.014 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.958 -14.317 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.211 -14.098 -3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.139 -16.433 -3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.828 -16.047 -2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.583 -16.259 -4.407 1.00 0.00 H new ATOM 1464 N VAL A 95 8.471 -9.631 -4.690 1.00 0.00 N ATOM 1465 CA VAL A 95 9.157 -9.469 -5.967 1.00 0.00 C ATOM 1466 C VAL A 95 10.147 -10.620 -6.150 1.00 0.00 C ATOM 1467 O VAL A 95 11.170 -10.687 -5.464 1.00 0.00 O ATOM 1468 CB VAL A 95 9.889 -8.099 -6.071 1.00 0.00 C ATOM 1469 CG1 VAL A 95 8.881 -6.952 -6.129 1.00 0.00 C ATOM 1470 CG2 VAL A 95 10.863 -7.895 -4.910 1.00 0.00 C ATOM 0 H VAL A 95 9.099 -9.694 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 95 8.411 -9.488 -6.761 1.00 0.00 H new ATOM 0 HB VAL A 95 10.467 -8.104 -6.995 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.413 -6.003 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.239 -7.076 -7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.271 -6.958 -5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.356 -6.929 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.316 -7.923 -3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.611 -8.687 -4.919 1.00 0.00 H new ATOM 1480 N ASP A 96 9.808 -11.541 -7.056 1.00 0.00 N ATOM 1481 CA ASP A 96 10.587 -12.766 -7.278 1.00 0.00 C ATOM 1482 C ASP A 96 10.503 -13.694 -6.064 1.00 0.00 C ATOM 1483 O ASP A 96 9.908 -14.771 -6.137 1.00 0.00 O ATOM 1484 CB ASP A 96 12.056 -12.452 -7.611 1.00 0.00 C ATOM 1485 CG ASP A 96 12.900 -13.713 -7.722 1.00 0.00 C ATOM 1486 OD1 ASP A 96 12.852 -14.374 -8.783 1.00 0.00 O ATOM 1487 OD2 ASP A 96 13.604 -14.055 -6.746 1.00 0.00 O ATOM 0 H ASP A 96 8.987 -11.460 -7.656 1.00 0.00 H new ATOM 0 HA ASP A 96 10.151 -13.276 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.104 -11.900 -8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.472 -11.805 -6.839 1.00 0.00 H new ATOM 1492 N ASN A 97 11.099 -13.269 -4.954 1.00 0.00 N ATOM 1493 CA ASN A 97 11.078 -14.038 -3.709 1.00 0.00 C ATOM 1494 C ASN A 97 10.994 -13.092 -2.516 1.00 0.00 C ATOM 1495 O ASN A 97 10.234 -13.329 -1.581 1.00 0.00 O ATOM 1496 CB ASN A 97 12.333 -14.923 -3.603 1.00 0.00 C ATOM 1497 CG ASN A 97 12.300 -15.899 -2.430 1.00 0.00 C ATOM 1498 OD1 ASN A 97 11.767 -15.607 -1.356 1.00 0.00 O ATOM 1499 ND2 ASN A 97 12.871 -17.077 -2.635 1.00 0.00 N ATOM 0 H ASN A 97 11.608 -12.387 -4.889 1.00 0.00 H new ATOM 0 HA ASN A 97 10.201 -14.685 -3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.449 -15.486 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.210 -14.283 -3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.879 -17.776 -1.892 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.302 -17.285 -3.536 1.00 0.00 H new ATOM 1506 N ARG A 98 11.772 -12.013 -2.567 1.00 0.00 N ATOM 1507 CA ARG A 98 11.805 -11.024 -1.493 1.00 0.00 C ATOM 1508 C ARG A 98 10.417 -10.430 -1.251 1.00 0.00 C ATOM 1509 O ARG A 98 9.787 -9.899 -2.167 1.00 0.00 O ATOM 1510 CB ARG A 98 12.820 -9.927 -1.829 1.00 0.00 C ATOM 1511 CG ARG A 98 14.265 -10.414 -1.788 1.00 0.00 C ATOM 1512 CD ARG A 98 15.226 -9.405 -2.400 1.00 0.00 C ATOM 1513 NE ARG A 98 15.050 -9.291 -3.848 1.00 0.00 N ATOM 1514 CZ ARG A 98 15.736 -8.446 -4.619 1.00 0.00 C ATOM 1515 NH1 ARG A 98 16.630 -7.626 -4.084 1.00 0.00 N ATOM 1516 NH2 ARG A 98 15.528 -8.423 -5.927 1.00 0.00 N ATOM 0 H ARG A 98 12.393 -11.801 -3.348 1.00 0.00 H new ATOM 0 HA ARG A 98 12.115 -11.518 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.604 -9.533 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.701 -9.103 -1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 98 14.553 -10.608 -0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 98 14.344 -11.360 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 98 15.071 -8.430 -1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 98 16.252 -9.702 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 98 14.360 -9.895 -4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.796 -7.639 -3.078 1.00 0.00 H new ATOM 0 HH12 ARG A 98 17.152 -6.982 -4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.843 -9.052 -6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.053 -7.776 -6.516 1.00 0.00 H new ATOM 1530 N LYS A 99 9.952 -10.529 -0.008 1.00 0.00 N ATOM 1531 CA LYS A 99 8.604 -10.106 0.362 1.00 0.00 C ATOM 1532 C LYS A 99 8.641 -8.947 1.360 1.00 0.00 C ATOM 1533 O LYS A 99 9.335 -9.004 2.379 1.00 0.00 O ATOM 1534 CB LYS A 99 7.793 -11.288 0.939 1.00 0.00 C ATOM 1535 CG LYS A 99 8.560 -12.181 1.922 1.00 0.00 C ATOM 1536 CD LYS A 99 9.427 -13.210 1.194 1.00 0.00 C ATOM 1537 CE LYS A 99 10.243 -14.074 2.150 1.00 0.00 C ATOM 1538 NZ LYS A 99 11.041 -15.102 1.421 1.00 0.00 N ATOM 0 H LYS A 99 10.497 -10.903 0.769 1.00 0.00 H new ATOM 0 HA LYS A 99 8.108 -9.758 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.911 -10.892 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.439 -11.904 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.190 -11.562 2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.854 -12.696 2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.789 -13.851 0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.102 -12.693 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.912 -13.440 2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.574 -14.566 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.021 -15.093 1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.625 -16.042 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.034 -14.889 0.403 1.00 0.00 H new ATOM 1552 N PHE A 100 7.892 -7.898 1.042 1.00 0.00 N ATOM 1553 CA PHE A 100 7.759 -6.723 1.899 1.00 0.00 C ATOM 1554 C PHE A 100 6.368 -6.124 1.723 1.00 0.00 C ATOM 1555 O PHE A 100 5.725 -6.346 0.694 1.00 0.00 O ATOM 1556 CB PHE A 100 8.865 -5.681 1.609 1.00 0.00 C ATOM 1557 CG PHE A 100 9.201 -5.481 0.145 1.00 0.00 C ATOM 1558 CD1 PHE A 100 9.934 -6.440 -0.545 1.00 0.00 C ATOM 1559 CD2 PHE A 100 8.809 -4.332 -0.539 1.00 0.00 C ATOM 1560 CE1 PHE A 100 10.261 -6.265 -1.874 1.00 0.00 C ATOM 1561 CE2 PHE A 100 9.142 -4.155 -1.869 1.00 0.00 C ATOM 1562 CZ PHE A 100 9.865 -5.122 -2.538 1.00 0.00 C ATOM 0 H PHE A 100 7.356 -7.837 0.177 1.00 0.00 H new ATOM 0 HA PHE A 100 7.883 -7.029 2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.557 -4.723 2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 100 9.771 -5.982 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.252 -7.336 -0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.239 -3.572 -0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 100 10.827 -7.023 -2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.836 -3.258 -2.386 1.00 0.00 H new ATOM 0 HZ PHE A 100 10.120 -4.984 -3.578 1.00 0.00 H new ATOM 1572 N GLY A 101 5.889 -5.404 2.733 1.00 0.00 N ATOM 1573 CA GLY A 101 4.548 -4.854 2.676 1.00 0.00 C ATOM 1574 C GLY A 101 4.211 -3.981 3.868 1.00 0.00 C ATOM 1575 O GLY A 101 5.103 -3.457 4.537 1.00 0.00 O ATOM 0 H GLY A 101 6.404 -5.192 3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.441 -4.269 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.829 -5.671 2.617 1.00 0.00 H new ATOM 1579 N LEU A 102 2.913 -3.827 4.130 1.00 0.00 N ATOM 1580 CA LEU A 102 2.421 -2.922 5.168 1.00 0.00 C ATOM 1581 C LEU A 102 1.736 -3.684 6.304 1.00 0.00 C ATOM 1582 O LEU A 102 1.108 -4.725 6.092 1.00 0.00 O ATOM 1583 CB LEU A 102 1.411 -1.920 4.576 1.00 0.00 C ATOM 1584 CG LEU A 102 1.988 -0.749 3.755 1.00 0.00 C ATOM 1585 CD1 LEU A 102 2.779 -1.239 2.549 1.00 0.00 C ATOM 1586 CD2 LEU A 102 0.863 0.183 3.309 1.00 0.00 C ATOM 0 H LEU A 102 2.176 -4.324 3.631 1.00 0.00 H new ATOM 0 HA LEU A 102 3.288 -2.394 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.719 -2.472 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.826 -1.503 5.396 1.00 0.00 H new ATOM 0 HG LEU A 102 2.677 -0.200 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.168 -0.383 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.608 -1.861 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.127 -1.823 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.281 1.007 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.154 -0.371 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.350 0.579 4.185 1.00 0.00 H new ATOM 1598 N THR A 103 1.876 -3.149 7.510 1.00 0.00 N ATOM 1599 CA THR A 103 1.075 -3.561 8.657 1.00 0.00 C ATOM 1600 C THR A 103 0.371 -2.327 9.224 1.00 0.00 C ATOM 1601 O THR A 103 1.018 -1.419 9.750 1.00 0.00 O ATOM 1602 CB THR A 103 1.935 -4.247 9.743 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.526 -5.443 9.206 1.00 0.00 O ATOM 1604 CG2 THR A 103 1.107 -4.599 10.977 1.00 0.00 C ATOM 0 H THR A 103 2.551 -2.414 7.722 1.00 0.00 H new ATOM 0 HA THR A 103 0.340 -4.296 8.330 1.00 0.00 H new ATOM 0 HB THR A 103 2.713 -3.547 10.046 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.650 -6.098 9.925 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.745 -5.080 11.718 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.680 -3.690 11.400 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.304 -5.279 10.694 1.00 0.00 H new ATOM 1612 N PHE A 104 -0.950 -2.290 9.078 1.00 0.00 N ATOM 1613 CA PHE A 104 -1.738 -1.095 9.379 1.00 0.00 C ATOM 1614 C PHE A 104 -2.197 -1.073 10.831 1.00 0.00 C ATOM 1615 O PHE A 104 -2.414 -2.123 11.443 1.00 0.00 O ATOM 1616 CB PHE A 104 -2.973 -1.039 8.472 1.00 0.00 C ATOM 1617 CG PHE A 104 -2.671 -1.162 7.001 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -2.585 -2.410 6.401 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -2.489 -0.033 6.216 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -2.324 -2.530 5.051 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -2.226 -0.147 4.865 1.00 0.00 C ATOM 1622 CZ PHE A 104 -2.144 -1.397 4.283 1.00 0.00 C ATOM 0 H PHE A 104 -1.504 -3.081 8.750 1.00 0.00 H new ATOM 0 HA PHE A 104 -1.097 -0.231 9.203 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.656 -1.839 8.758 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.494 -0.098 8.646 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.724 -3.299 6.998 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -2.554 0.946 6.666 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.261 -3.508 4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.085 0.740 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.939 -1.488 3.227 1.00 0.00 H new ATOM 1632 N GLN A 105 -2.337 0.132 11.377 1.00 0.00 N ATOM 1633 CA GLN A 105 -2.955 0.326 12.685 1.00 0.00 C ATOM 1634 C GLN A 105 -4.379 0.847 12.497 1.00 0.00 C ATOM 1635 O GLN A 105 -5.315 0.407 13.171 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.151 1.316 13.545 1.00 0.00 C ATOM 1637 CG GLN A 105 -0.672 0.962 13.716 1.00 0.00 C ATOM 1638 CD GLN A 105 0.216 1.529 12.617 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -0.209 1.706 11.474 1.00 0.00 O ATOM 1640 NE2 GLN A 105 1.457 1.834 12.965 1.00 0.00 N ATOM 0 H GLN A 105 -2.028 0.995 10.929 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.971 -0.633 13.203 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.224 2.307 13.097 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.612 1.377 14.531 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -0.326 1.334 14.680 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.565 -0.123 13.736 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.773 1.673 13.921 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.097 2.230 12.277 1.00 0.00 H new ATOM 1649 N SER A 106 -4.525 1.795 11.575 1.00 0.00 N ATOM 1650 CA SER A 106 -5.817 2.388 11.243 1.00 0.00 C ATOM 1651 C SER A 106 -6.582 1.493 10.258 1.00 0.00 C ATOM 1652 O SER A 106 -5.978 0.894 9.370 1.00 0.00 O ATOM 1653 CB SER A 106 -5.585 3.793 10.668 1.00 0.00 C ATOM 1654 OG SER A 106 -4.329 3.866 10.005 1.00 0.00 O ATOM 0 H SER A 106 -3.747 2.175 11.035 1.00 0.00 H new ATOM 0 HA SER A 106 -6.429 2.473 12.141 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.385 4.042 9.970 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.621 4.530 11.470 1.00 0.00 H new ATOM 0 HG SER A 106 -4.467 3.816 9.036 1.00 0.00 H new ATOM 1660 N PRO A 107 -7.920 1.373 10.417 1.00 0.00 N ATOM 1661 CA PRO A 107 -8.734 0.448 9.617 1.00 0.00 C ATOM 1662 C PRO A 107 -9.214 1.028 8.277 1.00 0.00 C ATOM 1663 O PRO A 107 -9.247 0.320 7.267 1.00 0.00 O ATOM 1664 CB PRO A 107 -9.921 0.178 10.549 1.00 0.00 C ATOM 1665 CG PRO A 107 -10.107 1.454 11.309 1.00 0.00 C ATOM 1666 CD PRO A 107 -8.742 2.108 11.406 1.00 0.00 C ATOM 0 HA PRO A 107 -8.168 -0.435 9.319 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -10.817 -0.080 9.984 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -9.716 -0.656 11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.814 2.108 10.799 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.513 1.258 12.301 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.792 3.171 11.172 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.329 2.022 12.411 1.00 0.00 H new ATOM 1674 N ALA A 108 -9.580 2.310 8.269 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.199 2.933 7.098 1.00 0.00 C ATOM 1676 C ALA A 108 -9.239 2.979 5.911 1.00 0.00 C ATOM 1677 O ALA A 108 -9.510 2.401 4.854 1.00 0.00 O ATOM 1678 CB ALA A 108 -10.688 4.335 7.444 1.00 0.00 C ATOM 0 H ALA A 108 -9.458 2.939 9.063 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.052 2.321 6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -11.146 4.788 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.423 4.276 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.845 4.945 7.768 1.00 0.00 H new ATOM 1684 N ASP A 109 -8.111 3.657 6.099 1.00 0.00 N ATOM 1685 CA ASP A 109 -7.112 3.809 5.042 1.00 0.00 C ATOM 1686 C ASP A 109 -6.482 2.459 4.704 1.00 0.00 C ATOM 1687 O ASP A 109 -6.020 2.246 3.582 1.00 0.00 O ATOM 1688 CB ASP A 109 -6.036 4.835 5.442 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.264 4.459 6.697 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -5.866 3.852 7.609 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -4.072 4.822 6.796 1.00 0.00 O ATOM 0 H ASP A 109 -7.863 4.113 6.977 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.613 4.185 4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.334 4.951 4.616 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.511 5.804 5.596 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.477 1.552 5.676 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.051 0.174 5.446 1.00 0.00 C ATOM 1698 C ALA A 110 -6.944 -0.489 4.403 1.00 0.00 C ATOM 1699 O ALA A 110 -6.465 -1.032 3.402 1.00 0.00 O ATOM 1700 CB ALA A 110 -6.084 -0.618 6.747 1.00 0.00 C ATOM 0 H ALA A 110 -6.764 1.747 6.635 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.027 0.187 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.764 -1.643 6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.413 -0.156 7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -7.099 -0.623 7.144 1.00 0.00 H new ATOM 1706 N ARG A 111 -8.251 -0.422 4.642 1.00 0.00 N ATOM 1707 CA ARG A 111 -9.237 -0.974 3.722 1.00 0.00 C ATOM 1708 C ARG A 111 -9.175 -0.227 2.389 1.00 0.00 C ATOM 1709 O ARG A 111 -9.408 -0.807 1.329 1.00 0.00 O ATOM 1710 CB ARG A 111 -10.647 -0.895 4.347 1.00 0.00 C ATOM 1711 CG ARG A 111 -11.774 -1.465 3.474 1.00 0.00 C ATOM 1712 CD ARG A 111 -12.391 -0.412 2.555 1.00 0.00 C ATOM 1713 NE ARG A 111 -13.113 0.625 3.305 1.00 0.00 N ATOM 1714 CZ ARG A 111 -12.855 1.936 3.236 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -11.852 2.382 2.487 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -13.596 2.795 3.925 1.00 0.00 N ATOM 0 H ARG A 111 -8.653 0.013 5.473 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.013 -2.024 3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -10.638 -1.429 5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -10.872 0.148 4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -11.383 -2.285 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.550 -1.883 4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -11.605 0.053 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -13.075 -0.896 1.858 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.866 0.323 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -11.276 1.724 1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -11.658 3.382 2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -14.362 2.456 4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -13.400 3.795 3.873 1.00 0.00 H new ATOM 1730 N ALA A 112 -8.852 1.063 2.455 1.00 0.00 N ATOM 1731 CA ALA A 112 -8.697 1.885 1.257 1.00 0.00 C ATOM 1732 C ALA A 112 -7.507 1.411 0.426 1.00 0.00 C ATOM 1733 O ALA A 112 -7.569 1.385 -0.803 1.00 0.00 O ATOM 1734 CB ALA A 112 -8.532 3.353 1.634 1.00 0.00 C ATOM 0 H ALA A 112 -8.692 1.563 3.329 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.599 1.781 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.418 3.950 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.412 3.689 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.648 3.471 2.260 1.00 0.00 H new ATOM 1740 N PHE A 113 -6.429 1.034 1.109 1.00 0.00 N ATOM 1741 CA PHE A 113 -5.226 0.540 0.445 1.00 0.00 C ATOM 1742 C PHE A 113 -5.511 -0.798 -0.230 1.00 0.00 C ATOM 1743 O PHE A 113 -5.265 -0.964 -1.419 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.073 0.399 1.453 1.00 0.00 C ATOM 1745 CG PHE A 113 -2.764 -0.039 0.835 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -1.895 0.893 0.282 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.401 -1.382 0.810 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -0.696 0.496 -0.280 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.203 -1.782 0.248 1.00 0.00 C ATOM 1750 CZ PHE A 113 -0.350 -0.842 -0.298 1.00 0.00 C ATOM 0 H PHE A 113 -6.364 1.062 2.127 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.928 1.260 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.924 1.355 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.360 -0.321 2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.159 1.940 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.064 -2.121 1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.029 1.232 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.934 -2.828 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.586 -1.152 -0.738 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.049 -1.740 0.547 1.00 0.00 N ATOM 1761 CA ASP A 114 -6.395 -3.077 0.049 1.00 0.00 C ATOM 1762 C ASP A 114 -7.306 -2.965 -1.172 1.00 0.00 C ATOM 1763 O ASP A 114 -6.999 -3.473 -2.256 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.114 -3.863 1.153 1.00 0.00 C ATOM 1765 CG ASP A 114 -7.237 -5.353 0.863 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -8.219 -5.763 0.208 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -6.366 -6.123 1.313 1.00 0.00 O ATOM 0 H ASP A 114 -6.257 -1.601 1.536 1.00 0.00 H new ATOM 0 HA ASP A 114 -5.481 -3.597 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -6.577 -3.728 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.111 -3.446 1.293 1.00 0.00 H new ATOM 1772 N ARG A 115 -8.426 -2.282 -0.966 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.399 -2.004 -2.027 1.00 0.00 C ATOM 1774 C ARG A 115 -8.714 -1.345 -3.227 1.00 0.00 C ATOM 1775 O ARG A 115 -8.909 -1.755 -4.379 1.00 0.00 O ATOM 1776 CB ARG A 115 -10.500 -1.079 -1.483 1.00 0.00 C ATOM 1777 CG ARG A 115 -11.634 -0.791 -2.462 1.00 0.00 C ATOM 1778 CD ARG A 115 -12.479 -2.029 -2.736 1.00 0.00 C ATOM 1779 NE ARG A 115 -13.681 -1.708 -3.508 1.00 0.00 N ATOM 1780 CZ ARG A 115 -14.799 -2.435 -3.494 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -14.871 -3.540 -2.762 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -15.847 -2.052 -4.208 1.00 0.00 N ATOM 0 H ARG A 115 -8.690 -1.902 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.840 -2.945 -2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -10.921 -1.528 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.047 -0.133 -1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -12.268 -0.001 -2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.219 -0.421 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.883 -2.762 -3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.766 -2.489 -1.791 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.662 -0.874 -4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -14.069 -3.837 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -15.729 -4.092 -2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.799 -1.201 -4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -16.702 -2.608 -4.197 1.00 0.00 H new ATOM 1796 N GLY A 116 -7.904 -0.330 -2.938 1.00 0.00 N ATOM 1797 CA GLY A 116 -7.193 0.393 -3.976 1.00 0.00 C ATOM 1798 C GLY A 116 -6.276 -0.509 -4.774 1.00 0.00 C ATOM 1799 O GLY A 116 -6.163 -0.366 -5.992 1.00 0.00 O ATOM 0 H GLY A 116 -7.727 0.007 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.912 0.863 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.609 1.194 -3.524 1.00 0.00 H new ATOM 1803 N VAL A 117 -5.630 -1.444 -4.082 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.755 -2.422 -4.720 1.00 0.00 C ATOM 1805 C VAL A 117 -5.548 -3.287 -5.691 1.00 0.00 C ATOM 1806 O VAL A 117 -5.135 -3.491 -6.836 1.00 0.00 O ATOM 1807 CB VAL A 117 -4.052 -3.326 -3.672 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -3.372 -4.518 -4.342 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -3.039 -2.521 -2.858 1.00 0.00 C ATOM 0 H VAL A 117 -5.698 -1.544 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.989 -1.871 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.815 -3.709 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.888 -5.134 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.117 -5.112 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.625 -4.160 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.557 -3.173 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.285 -2.104 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.551 -1.711 -2.338 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.699 -3.776 -5.232 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.561 -4.613 -6.063 1.00 0.00 C ATOM 1821 C ARG A 118 -7.892 -3.894 -7.366 1.00 0.00 C ATOM 1822 O ARG A 118 -7.643 -4.414 -8.458 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.865 -4.959 -5.332 1.00 0.00 C ATOM 1824 CG ARG A 118 -8.664 -5.605 -3.967 1.00 0.00 C ATOM 1825 CD ARG A 118 -9.992 -5.998 -3.334 1.00 0.00 C ATOM 1826 NE ARG A 118 -9.836 -6.376 -1.933 1.00 0.00 N ATOM 1827 CZ ARG A 118 -10.715 -7.101 -1.243 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -11.795 -7.599 -1.838 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -10.503 -7.329 0.048 1.00 0.00 N ATOM 0 H ARG A 118 -7.055 -3.607 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 118 -7.023 -5.536 -6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.451 -4.048 -5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.451 -5.632 -5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.034 -6.488 -4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.137 -4.913 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -10.691 -5.165 -3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -10.426 -6.830 -3.888 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.995 -6.063 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -11.956 -7.427 -2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -12.463 -8.153 -1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -9.673 -6.950 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -11.171 -7.883 0.584 1.00 0.00 H new ATOM 1843 N LYS A 119 -8.427 -2.682 -7.233 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.851 -1.896 -8.387 1.00 0.00 C ATOM 1845 C LYS A 119 -7.643 -1.453 -9.215 1.00 0.00 C ATOM 1846 O LYS A 119 -7.752 -1.266 -10.426 1.00 0.00 O ATOM 1847 CB LYS A 119 -9.669 -0.667 -7.940 1.00 0.00 C ATOM 1848 CG LYS A 119 -10.955 -0.442 -8.744 1.00 0.00 C ATOM 1849 CD LYS A 119 -10.711 -0.235 -10.244 1.00 0.00 C ATOM 1850 CE LYS A 119 -10.171 1.158 -10.574 1.00 0.00 C ATOM 1851 NZ LYS A 119 -8.795 1.384 -10.060 1.00 0.00 N ATOM 0 H LYS A 119 -8.577 -2.223 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.485 -2.528 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.927 -0.780 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -9.043 0.221 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.615 -1.299 -8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -11.476 0.429 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.005 -0.986 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -11.644 -0.394 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.177 1.297 -11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.838 1.910 -10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.387 2.224 -10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.829 1.533 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.205 0.554 -10.270 1.00 0.00 H new ATOM 1865 N ALA A 120 -6.500 -1.271 -8.557 1.00 0.00 N ATOM 1866 CA ALA A 120 -5.277 -0.858 -9.242 1.00 0.00 C ATOM 1867 C ALA A 120 -4.819 -1.942 -10.206 1.00 0.00 C ATOM 1868 O ALA A 120 -4.708 -1.710 -11.409 1.00 0.00 O ATOM 1869 CB ALA A 120 -4.176 -0.539 -8.236 1.00 0.00 C ATOM 0 H ALA A 120 -6.395 -1.403 -7.551 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.491 0.047 -9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.275 -0.234 -8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.503 0.270 -7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.962 -1.425 -7.638 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.583 -3.136 -9.667 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.145 -4.276 -10.466 1.00 0.00 C ATOM 1877 C ILE A 121 -5.178 -4.599 -11.543 1.00 0.00 C ATOM 1878 O ILE A 121 -4.832 -4.845 -12.699 1.00 0.00 O ATOM 1879 CB ILE A 121 -3.908 -5.530 -9.581 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -2.838 -5.245 -8.510 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -3.506 -6.733 -10.437 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -1.485 -4.852 -9.071 1.00 0.00 C ATOM 0 H ILE A 121 -4.689 -3.339 -8.673 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.201 -4.004 -10.938 1.00 0.00 H new ATOM 0 HB ILE A 121 -4.844 -5.770 -9.076 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.195 -4.446 -7.860 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -2.717 -6.132 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.345 -7.599 -9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.300 -6.953 -11.151 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.586 -6.505 -10.976 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -0.790 -4.669 -8.251 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.103 -5.658 -9.697 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -1.588 -3.946 -9.668 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.448 -4.569 -11.153 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.549 -4.870 -12.065 1.00 0.00 C ATOM 1896 C GLU A 122 -7.531 -3.917 -13.263 1.00 0.00 C ATOM 1897 O GLU A 122 -7.580 -4.348 -14.418 1.00 0.00 O ATOM 1898 CB GLU A 122 -8.886 -4.758 -11.316 1.00 0.00 C ATOM 1899 CG GLU A 122 -10.089 -5.265 -12.100 1.00 0.00 C ATOM 1900 CD GLU A 122 -9.981 -6.744 -12.437 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -10.062 -7.580 -11.509 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -9.806 -7.080 -13.626 1.00 0.00 O ATOM 0 H GLU A 122 -6.743 -4.338 -10.204 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.431 -5.888 -12.437 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.814 -5.317 -10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.054 -3.714 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -10.996 -5.093 -11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.186 -4.691 -13.022 1.00 0.00 H new ATOM 1909 N ASP A 123 -7.443 -2.623 -12.972 1.00 0.00 N ATOM 1910 CA ASP A 123 -7.481 -1.582 -14.001 1.00 0.00 C ATOM 1911 C ASP A 123 -6.179 -1.558 -14.801 1.00 0.00 C ATOM 1912 O ASP A 123 -6.164 -1.196 -15.979 1.00 0.00 O ATOM 1913 CB ASP A 123 -7.723 -0.214 -13.348 1.00 0.00 C ATOM 1914 CG ASP A 123 -7.934 0.903 -14.361 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -9.097 1.144 -14.751 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -6.947 1.554 -14.762 1.00 0.00 O ATOM 0 H ASP A 123 -7.344 -2.265 -12.022 1.00 0.00 H new ATOM 0 HA ASP A 123 -8.298 -1.804 -14.687 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.596 -0.277 -12.699 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -6.872 0.035 -12.714 1.00 0.00 H new ATOM 1921 N LEU A 124 -5.087 -1.942 -14.149 1.00 0.00 N ATOM 1922 CA LEU A 124 -3.772 -1.977 -14.783 1.00 0.00 C ATOM 1923 C LEU A 124 -3.732 -3.093 -15.830 1.00 0.00 C ATOM 1924 O LEU A 124 -3.397 -2.859 -16.996 1.00 0.00 O ATOM 1925 CB LEU A 124 -2.683 -2.191 -13.708 1.00 0.00 C ATOM 1926 CG LEU A 124 -1.217 -1.937 -14.134 1.00 0.00 C ATOM 1927 CD1 LEU A 124 -0.308 -1.897 -12.906 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.719 -3.001 -15.113 1.00 0.00 C ATOM 0 H LEU A 124 -5.087 -2.236 -13.172 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.581 -1.028 -15.285 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.908 -1.540 -12.863 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.759 -3.217 -13.349 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.186 -0.973 -14.641 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.720 -1.718 -13.220 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.629 -1.095 -12.241 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.366 -2.850 -12.380 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.314 -2.787 -15.388 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.774 -3.983 -14.642 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.342 -2.992 -16.007 1.00 0.00 H new ATOM 1940 N ILE A 125 -4.089 -4.301 -15.401 1.00 0.00 N ATOM 1941 CA ILE A 125 -4.002 -5.490 -16.245 1.00 0.00 C ATOM 1942 C ILE A 125 -5.078 -5.488 -17.330 1.00 0.00 C ATOM 1943 O ILE A 125 -4.774 -5.646 -18.517 1.00 0.00 O ATOM 1944 CB ILE A 125 -4.125 -6.785 -15.398 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -2.989 -6.864 -14.361 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -4.128 -8.025 -16.291 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -1.597 -6.894 -14.966 1.00 0.00 C ATOM 0 H ILE A 125 -4.445 -4.483 -14.463 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.024 -5.468 -16.725 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.075 -6.752 -14.865 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.064 -6.008 -13.691 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.128 -7.758 -13.753 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.215 -8.918 -15.673 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.972 -7.976 -16.979 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.199 -8.066 -16.859 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.855 -6.950 -14.169 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.500 -7.765 -15.614 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.435 -5.988 -15.550 1.00 0.00 H new ATOM 1959 N GLU A 126 -6.331 -5.308 -16.922 1.00 0.00 N ATOM 1960 CA GLU A 126 -7.456 -5.387 -17.848 1.00 0.00 C ATOM 1961 C GLU A 126 -7.848 -3.984 -18.323 1.00 0.00 C ATOM 1962 O GLU A 126 -8.685 -3.332 -17.662 1.00 0.00 O ATOM 1963 CB GLU A 126 -8.642 -6.097 -17.174 1.00 0.00 C ATOM 1964 CG GLU A 126 -9.790 -6.422 -18.122 1.00 0.00 C ATOM 1965 CD GLU A 126 -10.940 -7.133 -17.429 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -10.796 -8.333 -17.104 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -11.994 -6.498 -17.204 1.00 0.00 O ATOM 1968 OXT GLU A 126 -7.301 -3.529 -19.346 1.00 0.00 O ATOM 0 H GLU A 126 -6.593 -5.107 -15.957 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.163 -5.969 -18.722 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -8.287 -7.022 -16.719 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -9.018 -5.468 -16.367 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.157 -5.499 -18.571 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.419 -7.047 -18.935 1.00 0.00 H new