USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=22 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 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 THR OG1 : rot -140:sc= -1.21 USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 46 CYS SG : rot -134:sc= -2.55! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -144:sc= 1.26 (180deg=-0.836) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 61:sc= 0.0566 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.701 F(o=-1.4,f=-0.7) USER MOD Single : A 41 SER OG : rot 59:sc= 0.445 USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= 1.16 (180deg=0.993) USER MOD Single : A 49 MET CE :methyl 168:sc= 0 (180deg=-0.291) USER MOD Single : A 62 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.3) USER MOD Single : A 66 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot -144:sc= 0.523 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= -0.0523 (180deg=-0.343) USER MOD Single : A 83 TYR OH : rot 100:sc= -0.535 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 85 LYS NZ :NH3+ -129:sc= -0.032 (180deg=-1.4!) USER MOD Single : A 87 ASN : amide:sc= -0.0453 X(o=-0.045,f=-0.045) USER MOD Single : A 89 THR OG1 : rot 64:sc= 0.624 USER MOD Single : A 91 HIS : no HD1:sc= -3.5! C(o=-3.5!,f=-3.1!) USER MOD Single : A 92 HIS : no HD1:sc= -5.38! C(o=-5.4!,f=-5.7!) USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= 0.107 (180deg=-0.102) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.14 K(o=-1.1,f=-5.2!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.139 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 2.020 13.054 -8.504 1.00 0.00 N ATOM 164 CA SER A 13 0.593 13.192 -8.232 1.00 0.00 C ATOM 165 C SER A 13 0.235 12.453 -6.944 1.00 0.00 C ATOM 166 O SER A 13 -0.262 13.056 -5.993 1.00 0.00 O ATOM 167 CB SER A 13 -0.223 12.649 -9.418 1.00 0.00 C ATOM 168 OG SER A 13 -1.617 12.810 -9.212 1.00 0.00 O ATOM 0 HA SER A 13 0.351 14.247 -8.103 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.072 13.167 -10.331 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.004 11.593 -9.563 1.00 0.00 H new ATOM 0 HG SER A 13 -2.105 12.456 -9.985 1.00 0.00 H new ATOM 174 N TYR A 14 0.518 11.145 -6.925 1.00 0.00 N ATOM 175 CA TYR A 14 0.270 10.292 -5.756 1.00 0.00 C ATOM 176 C TYR A 14 -1.223 10.190 -5.433 1.00 0.00 C ATOM 177 O TYR A 14 -1.811 11.095 -4.845 1.00 0.00 O ATOM 178 CB TYR A 14 1.064 10.784 -4.537 1.00 0.00 C ATOM 179 CG TYR A 14 2.561 10.572 -4.674 1.00 0.00 C ATOM 180 CD1 TYR A 14 3.330 11.382 -5.503 1.00 0.00 C ATOM 181 CD2 TYR A 14 3.200 9.544 -3.989 1.00 0.00 C ATOM 182 CE1 TYR A 14 4.686 11.172 -5.645 1.00 0.00 C ATOM 183 CE2 TYR A 14 4.558 9.333 -4.124 1.00 0.00 C ATOM 184 CZ TYR A 14 5.295 10.147 -4.954 1.00 0.00 C ATOM 185 OH TYR A 14 6.645 9.934 -5.099 1.00 0.00 O ATOM 0 H TYR A 14 0.925 10.649 -7.718 1.00 0.00 H new ATOM 0 HA TYR A 14 0.617 9.290 -6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.866 11.845 -4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.710 10.264 -3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.858 12.188 -6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.624 8.900 -3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.268 11.808 -6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.039 8.533 -3.581 1.00 0.00 H new ATOM 0 HH TYR A 14 6.918 9.174 -4.543 1.00 0.00 H new ATOM 195 N ILE A 15 -1.822 9.067 -5.826 1.00 0.00 N ATOM 196 CA ILE A 15 -3.248 8.832 -5.612 1.00 0.00 C ATOM 197 C ILE A 15 -3.502 8.328 -4.190 1.00 0.00 C ATOM 198 O ILE A 15 -4.541 8.613 -3.591 1.00 0.00 O ATOM 199 CB ILE A 15 -3.812 7.814 -6.648 1.00 0.00 C ATOM 200 CG1 ILE A 15 -5.319 7.576 -6.419 1.00 0.00 C ATOM 201 CG2 ILE A 15 -3.037 6.497 -6.599 1.00 0.00 C ATOM 202 CD1 ILE A 15 -5.952 6.625 -7.415 1.00 0.00 C ATOM 0 H ILE A 15 -1.338 8.302 -6.297 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.766 9.782 -5.748 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.685 8.240 -7.643 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.465 7.182 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.839 8.533 -6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.451 5.804 -7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.988 6.684 -6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.119 6.063 -5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.012 6.511 -7.186 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.840 7.026 -8.422 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.461 5.654 -7.354 1.00 0.00 H new ATOM 214 N VAL A 16 -2.537 7.591 -3.646 1.00 0.00 N ATOM 215 CA VAL A 16 -2.643 7.054 -2.291 1.00 0.00 C ATOM 216 C VAL A 16 -1.545 7.637 -1.404 1.00 0.00 C ATOM 217 O VAL A 16 -0.362 7.391 -1.635 1.00 0.00 O ATOM 218 CB VAL A 16 -2.547 5.505 -2.276 1.00 0.00 C ATOM 219 CG1 VAL A 16 -2.641 4.963 -0.848 1.00 0.00 C ATOM 220 CG2 VAL A 16 -3.626 4.883 -3.163 1.00 0.00 C ATOM 0 H VAL A 16 -1.669 7.351 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.622 7.339 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.573 5.227 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.571 3.875 -0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.825 5.369 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.594 5.258 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.538 3.797 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.610 5.176 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.500 5.232 -4.188 1.00 0.00 H new ATOM 230 N ARG A 17 -1.945 8.426 -0.413 1.00 0.00 N ATOM 231 CA ARG A 17 -1.022 8.988 0.573 1.00 0.00 C ATOM 232 C ARG A 17 -1.625 8.865 1.970 1.00 0.00 C ATOM 233 O ARG A 17 -2.303 9.776 2.447 1.00 0.00 O ATOM 234 CB ARG A 17 -0.702 10.462 0.254 1.00 0.00 C ATOM 235 CG ARG A 17 0.281 10.651 -0.899 1.00 0.00 C ATOM 236 CD ARG A 17 0.419 12.119 -1.302 1.00 0.00 C ATOM 237 NE ARG A 17 0.751 12.992 -0.168 1.00 0.00 N ATOM 238 CZ ARG A 17 1.466 14.116 -0.271 1.00 0.00 C ATOM 239 NH1 ARG A 17 1.964 14.490 -1.446 1.00 0.00 N ATOM 240 NH2 ARG A 17 1.674 14.872 0.804 1.00 0.00 N ATOM 0 H ARG A 17 -2.918 8.696 -0.268 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.088 8.427 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.630 10.981 0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.294 10.935 1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.257 10.262 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.053 10.069 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.193 12.211 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.514 12.456 -1.753 1.00 0.00 H new ATOM 0 HE ARG A 17 0.414 12.723 0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.801 13.918 -2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.509 15.349 -1.519 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.288 14.593 1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.220 15.730 0.726 1.00 0.00 H new ATOM 254 N VAL A 18 -1.401 7.717 2.607 1.00 0.00 N ATOM 255 CA VAL A 18 -1.977 7.425 3.923 1.00 0.00 C ATOM 256 C VAL A 18 -0.894 6.921 4.879 1.00 0.00 C ATOM 257 O VAL A 18 0.122 6.377 4.439 1.00 0.00 O ATOM 258 CB VAL A 18 -3.113 6.365 3.819 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.781 6.129 5.175 1.00 0.00 C ATOM 260 CG2 VAL A 18 -4.151 6.772 2.771 1.00 0.00 C ATOM 0 H VAL A 18 -0.820 6.967 2.231 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.401 8.351 4.311 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.657 5.427 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.569 5.384 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.039 5.772 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.212 7.063 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.933 6.014 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.592 7.729 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.669 6.863 1.798 1.00 0.00 H new ATOM 270 N LYS A 19 -1.110 7.123 6.178 1.00 0.00 N ATOM 271 CA LYS A 19 -0.179 6.663 7.209 1.00 0.00 C ATOM 272 C LYS A 19 -0.119 5.136 7.232 1.00 0.00 C ATOM 273 O LYS A 19 -1.079 4.471 6.838 1.00 0.00 O ATOM 274 CB LYS A 19 -0.627 7.163 8.592 1.00 0.00 C ATOM 275 CG LYS A 19 -1.835 6.405 9.147 1.00 0.00 C ATOM 276 CD LYS A 19 -2.298 6.952 10.494 1.00 0.00 C ATOM 277 CE LYS A 19 -3.386 6.075 11.110 1.00 0.00 C ATOM 278 NZ LYS A 19 -4.526 5.852 10.182 1.00 0.00 N ATOM 0 H LYS A 19 -1.930 7.607 6.544 1.00 0.00 H new ATOM 0 HA LYS A 19 0.808 7.062 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.204 7.070 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.871 8.223 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.656 6.463 8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.581 5.351 9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.449 7.012 11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.676 7.966 10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.957 5.113 11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.751 6.542 12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.414 5.826 10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.565 6.626 9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.397 4.948 9.685 1.00 0.00 H new ATOM 292 N ALA A 20 1.001 4.597 7.710 1.00 0.00 N ATOM 293 CA ALA A 20 1.162 3.156 7.881 1.00 0.00 C ATOM 294 C ALA A 20 2.538 2.836 8.453 1.00 0.00 C ATOM 295 O ALA A 20 3.374 3.727 8.619 1.00 0.00 O ATOM 296 CB ALA A 20 0.965 2.422 6.554 1.00 0.00 C ATOM 0 H ALA A 20 1.817 5.143 7.988 1.00 0.00 H new ATOM 0 HA ALA A 20 0.400 2.815 8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.090 1.350 6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.038 2.619 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.702 2.773 5.831 1.00 0.00 H new ATOM 302 N VAL A 21 2.758 1.568 8.768 1.00 0.00 N ATOM 303 CA VAL A 21 4.077 1.074 9.145 1.00 0.00 C ATOM 304 C VAL A 21 4.441 -0.072 8.213 1.00 0.00 C ATOM 305 O VAL A 21 3.570 -0.838 7.805 1.00 0.00 O ATOM 306 CB VAL A 21 4.132 0.586 10.618 1.00 0.00 C ATOM 307 CG1 VAL A 21 5.542 0.110 10.980 1.00 0.00 C ATOM 308 CG2 VAL A 21 3.671 1.689 11.571 1.00 0.00 C ATOM 0 H VAL A 21 2.030 0.853 8.770 1.00 0.00 H new ATOM 0 HA VAL A 21 4.788 1.896 9.058 1.00 0.00 H new ATOM 0 HB VAL A 21 3.452 -0.259 10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.557 -0.227 12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.827 -0.714 10.326 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.247 0.932 10.856 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.717 1.326 12.598 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.321 2.558 11.464 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.646 1.971 11.332 1.00 0.00 H new ATOM 318 N VAL A 22 5.709 -0.184 7.855 1.00 0.00 N ATOM 319 CA VAL A 22 6.138 -1.186 6.890 1.00 0.00 C ATOM 320 C VAL A 22 7.064 -2.214 7.528 1.00 0.00 C ATOM 321 O VAL A 22 8.023 -1.864 8.224 1.00 0.00 O ATOM 322 CB VAL A 22 6.819 -0.528 5.669 1.00 0.00 C ATOM 323 CG1 VAL A 22 5.810 0.324 4.906 1.00 0.00 C ATOM 324 CG2 VAL A 22 8.023 0.311 6.097 1.00 0.00 C ATOM 0 H VAL A 22 6.459 0.405 8.217 1.00 0.00 H new ATOM 0 HA VAL A 22 5.245 -1.707 6.545 1.00 0.00 H new ATOM 0 HB VAL A 22 7.183 -1.316 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.298 0.784 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.989 -0.305 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.421 1.103 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.483 0.762 5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.696 1.096 6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.750 -0.326 6.600 1.00 0.00 H new ATOM 334 N MET A 23 6.756 -3.481 7.290 1.00 0.00 N ATOM 335 CA MET A 23 7.530 -4.591 7.821 1.00 0.00 C ATOM 336 C MET A 23 8.465 -5.136 6.749 1.00 0.00 C ATOM 337 O MET A 23 8.016 -5.689 5.741 1.00 0.00 O ATOM 338 CB MET A 23 6.598 -5.706 8.313 1.00 0.00 C ATOM 339 CG MET A 23 5.722 -5.307 9.492 1.00 0.00 C ATOM 340 SD MET A 23 6.676 -4.825 10.944 1.00 0.00 S ATOM 341 CE MET A 23 5.364 -4.513 12.121 1.00 0.00 C ATOM 0 H MET A 23 5.959 -3.768 6.721 1.00 0.00 H new ATOM 0 HA MET A 23 8.122 -4.230 8.662 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.958 -6.021 7.489 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.200 -6.569 8.597 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.078 -4.479 9.196 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.070 -6.141 9.752 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.795 -4.204 13.073 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.716 -3.722 11.743 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.780 -5.422 12.265 1.00 0.00 H new ATOM 351 N THR A 24 9.761 -4.972 6.966 1.00 0.00 N ATOM 352 CA THR A 24 10.760 -5.482 6.045 1.00 0.00 C ATOM 353 C THR A 24 11.002 -6.960 6.345 1.00 0.00 C ATOM 354 O THR A 24 10.801 -7.411 7.476 1.00 0.00 O ATOM 355 CB THR A 24 12.078 -4.672 6.142 1.00 0.00 C ATOM 356 OG1 THR A 24 12.954 -5.001 5.054 1.00 0.00 O ATOM 357 CG2 THR A 24 12.791 -4.923 7.460 1.00 0.00 C ATOM 0 H THR A 24 10.145 -4.487 7.777 1.00 0.00 H new ATOM 0 HA THR A 24 10.394 -5.375 5.024 1.00 0.00 H new ATOM 0 HB THR A 24 11.814 -3.616 6.088 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.780 -4.479 5.130 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.711 -4.339 7.493 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.144 -4.628 8.286 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.031 -5.983 7.548 1.00 0.00 H new ATOM 365 N ARG A 25 11.411 -7.719 5.341 1.00 0.00 N ATOM 366 CA ARG A 25 11.508 -9.166 5.477 1.00 0.00 C ATOM 367 C ARG A 25 12.912 -9.680 5.201 1.00 0.00 C ATOM 368 O ARG A 25 13.408 -9.599 4.075 1.00 0.00 O ATOM 369 CB ARG A 25 10.508 -9.859 4.541 1.00 0.00 C ATOM 370 CG ARG A 25 10.806 -11.341 4.315 1.00 0.00 C ATOM 371 CD ARG A 25 9.701 -12.037 3.541 1.00 0.00 C ATOM 372 NE ARG A 25 10.106 -13.372 3.088 1.00 0.00 N ATOM 373 CZ ARG A 25 9.932 -14.497 3.783 1.00 0.00 C ATOM 374 NH1 ARG A 25 9.404 -14.464 5.003 1.00 0.00 N ATOM 375 NH2 ARG A 25 10.310 -15.658 3.262 1.00 0.00 N ATOM 0 H ARG A 25 11.681 -7.360 4.425 1.00 0.00 H new ATOM 0 HA ARG A 25 11.267 -9.405 6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.505 -9.758 4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.508 -9.346 3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.746 -11.442 3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.939 -11.834 5.278 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.815 -12.121 4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.424 -11.430 2.679 1.00 0.00 H new ATOM 0 HE ARG A 25 10.554 -13.445 2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.128 -13.573 5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.275 -15.330 5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.732 -15.687 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.179 -16.521 3.790 1.00 0.00 H new ATOM 389 N ASP A 26 13.545 -10.216 6.238 1.00 0.00 N ATOM 390 CA ASP A 26 14.749 -11.009 6.058 1.00 0.00 C ATOM 391 C ASP A 26 14.335 -12.344 5.443 1.00 0.00 C ATOM 392 O ASP A 26 13.916 -13.266 6.150 1.00 0.00 O ATOM 393 CB ASP A 26 15.477 -11.223 7.392 1.00 0.00 C ATOM 394 CG ASP A 26 16.816 -11.924 7.218 1.00 0.00 C ATOM 395 OD1 ASP A 26 17.776 -11.278 6.749 1.00 0.00 O ATOM 396 OD2 ASP A 26 16.927 -13.117 7.565 1.00 0.00 O ATOM 0 H ASP A 26 13.244 -10.115 7.207 1.00 0.00 H new ATOM 0 HA ASP A 26 15.445 -10.488 5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.635 -10.259 7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.845 -11.812 8.057 1.00 0.00 H new ATOM 401 N ASP A 27 14.390 -12.407 4.115 1.00 0.00 N ATOM 402 CA ASP A 27 13.814 -13.519 3.360 1.00 0.00 C ATOM 403 C ASP A 27 14.335 -14.880 3.817 1.00 0.00 C ATOM 404 O ASP A 27 15.468 -15.006 4.289 1.00 0.00 O ATOM 405 CB ASP A 27 14.064 -13.351 1.858 1.00 0.00 C ATOM 406 CG ASP A 27 13.437 -14.477 1.047 1.00 0.00 C ATOM 407 OD1 ASP A 27 12.222 -14.731 1.222 1.00 0.00 O ATOM 408 OD2 ASP A 27 14.146 -15.111 0.237 1.00 0.00 O ATOM 0 H ASP A 27 14.832 -11.694 3.534 1.00 0.00 H new ATOM 0 HA ASP A 27 12.742 -13.494 3.557 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.657 -12.396 1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.137 -13.323 1.670 1.00 0.00 H new ATOM 413 N SER A 28 13.471 -15.883 3.669 1.00 0.00 N ATOM 414 CA SER A 28 13.766 -17.275 4.021 1.00 0.00 C ATOM 415 C SER A 28 13.798 -17.498 5.541 1.00 0.00 C ATOM 416 O SER A 28 13.369 -18.549 6.022 1.00 0.00 O ATOM 417 CB SER A 28 15.070 -17.735 3.361 1.00 0.00 C ATOM 418 OG SER A 28 14.973 -17.641 1.949 1.00 0.00 O ATOM 0 H SER A 28 12.531 -15.751 3.295 1.00 0.00 H new ATOM 0 HA SER A 28 12.951 -17.888 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.899 -17.123 3.716 1.00 0.00 H new ATOM 0 HB3 SER A 28 15.287 -18.764 3.649 1.00 0.00 H new ATOM 0 HG SER A 28 14.819 -16.708 1.693 1.00 0.00 H new ATOM 424 N SER A 29 14.298 -16.523 6.296 1.00 0.00 N ATOM 425 CA SER A 29 14.278 -16.606 7.753 1.00 0.00 C ATOM 426 C SER A 29 12.881 -16.258 8.268 1.00 0.00 C ATOM 427 O SER A 29 12.331 -16.947 9.131 1.00 0.00 O ATOM 428 CB SER A 29 15.327 -15.661 8.355 1.00 0.00 C ATOM 429 OG SER A 29 15.412 -15.803 9.765 1.00 0.00 O ATOM 0 H SER A 29 14.719 -15.671 5.925 1.00 0.00 H new ATOM 0 HA SER A 29 14.523 -17.624 8.057 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.300 -15.866 7.909 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.073 -14.630 8.107 1.00 0.00 H new ATOM 0 HG SER A 29 16.090 -15.188 10.115 1.00 0.00 H new ATOM 435 N GLY A 30 12.305 -15.197 7.711 1.00 0.00 N ATOM 436 CA GLY A 30 10.964 -14.784 8.083 1.00 0.00 C ATOM 437 C GLY A 30 10.787 -13.289 7.952 1.00 0.00 C ATOM 438 O GLY A 30 10.047 -12.811 7.085 1.00 0.00 O ATOM 0 H GLY A 30 12.748 -14.612 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.237 -15.294 7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.761 -15.087 9.110 1.00 0.00 H new ATOM 442 N GLY A 31 11.487 -12.549 8.801 1.00 0.00 N ATOM 443 CA GLY A 31 11.434 -11.105 8.764 1.00 0.00 C ATOM 444 C GLY A 31 10.112 -10.551 9.256 1.00 0.00 C ATOM 445 O GLY A 31 9.664 -10.876 10.359 1.00 0.00 O ATOM 0 H GLY A 31 12.098 -12.932 9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.241 -10.701 9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.607 -10.766 7.743 1.00 0.00 H new ATOM 449 N TRP A 32 9.489 -9.719 8.424 1.00 0.00 N ATOM 450 CA TRP A 32 8.260 -9.011 8.777 1.00 0.00 C ATOM 451 C TRP A 32 8.496 -8.139 10.011 1.00 0.00 C ATOM 452 O TRP A 32 7.623 -7.998 10.868 1.00 0.00 O ATOM 453 CB TRP A 32 7.093 -9.987 9.011 1.00 0.00 C ATOM 454 CG TRP A 32 6.898 -10.967 7.889 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.831 -12.327 7.985 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.752 -10.658 6.500 1.00 0.00 C ATOM 457 NE1 TRP A 32 6.635 -12.878 6.743 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.583 -11.875 5.815 1.00 0.00 C ATOM 459 CE3 TRP A 32 6.740 -9.467 5.771 1.00 0.00 C ATOM 460 CZ2 TRP A 32 6.404 -11.934 4.438 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.564 -9.528 4.406 1.00 0.00 C ATOM 462 CH2 TRP A 32 6.396 -10.751 3.750 1.00 0.00 C ATOM 0 H TRP A 32 9.824 -9.516 7.482 1.00 0.00 H new ATOM 0 HA TRP A 32 7.983 -8.371 7.939 1.00 0.00 H new ATOM 0 HB2 TRP A 32 7.269 -10.536 9.936 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.174 -9.416 9.148 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.919 -12.888 8.904 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.543 -13.874 6.545 1.00 0.00 H new ATOM 0 HE3 TRP A 32 6.866 -8.516 6.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.276 -12.878 3.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.556 -8.613 3.832 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.257 -10.762 2.679 1.00 0.00 H new ATOM 473 N PHE A 33 9.684 -7.539 10.073 1.00 0.00 N ATOM 474 CA PHE A 33 10.085 -6.721 11.214 1.00 0.00 C ATOM 475 C PHE A 33 10.200 -5.249 10.807 1.00 0.00 C ATOM 476 O PHE A 33 10.519 -4.940 9.656 1.00 0.00 O ATOM 477 CB PHE A 33 11.416 -7.238 11.800 1.00 0.00 C ATOM 478 CG PHE A 33 12.620 -7.115 10.885 1.00 0.00 C ATOM 479 CD1 PHE A 33 12.791 -7.968 9.799 1.00 0.00 C ATOM 480 CD2 PHE A 33 13.597 -6.157 11.131 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.904 -7.868 8.986 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.710 -6.053 10.317 1.00 0.00 C ATOM 483 CZ PHE A 33 14.864 -6.910 9.244 1.00 0.00 C ATOM 0 H PHE A 33 10.390 -7.606 9.340 1.00 0.00 H new ATOM 0 HA PHE A 33 9.319 -6.797 11.986 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.624 -6.694 12.721 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.292 -8.287 12.070 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.044 -8.719 9.589 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.485 -5.485 11.969 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.023 -8.540 8.149 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.459 -5.302 10.520 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.734 -6.831 8.608 1.00 0.00 H new ATOM 493 N PRO A 34 9.926 -4.318 11.742 1.00 0.00 N ATOM 494 CA PRO A 34 10.004 -2.876 11.473 1.00 0.00 C ATOM 495 C PRO A 34 11.448 -2.416 11.242 1.00 0.00 C ATOM 496 O PRO A 34 12.261 -2.388 12.172 1.00 0.00 O ATOM 497 CB PRO A 34 9.411 -2.241 12.741 1.00 0.00 C ATOM 498 CG PRO A 34 9.626 -3.258 13.811 1.00 0.00 C ATOM 499 CD PRO A 34 9.512 -4.599 13.135 1.00 0.00 C ATOM 0 HA PRO A 34 9.471 -2.592 10.565 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.908 -1.301 12.983 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.352 -2.018 12.614 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.605 -3.136 14.275 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.884 -3.155 14.602 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.158 -5.341 13.604 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.494 -4.987 13.181 1.00 0.00 H new ATOM 507 N GLN A 35 11.756 -2.065 9.996 1.00 0.00 N ATOM 508 CA GLN A 35 13.109 -1.660 9.612 1.00 0.00 C ATOM 509 C GLN A 35 13.573 -0.439 10.409 1.00 0.00 C ATOM 510 O GLN A 35 12.831 0.539 10.552 1.00 0.00 O ATOM 511 CB GLN A 35 13.173 -1.361 8.106 1.00 0.00 C ATOM 512 CG GLN A 35 12.215 -0.266 7.646 1.00 0.00 C ATOM 513 CD GLN A 35 12.301 0.001 6.154 1.00 0.00 C ATOM 514 OE1 GLN A 35 11.194 0.420 5.563 1.00 0.00 O flip ATOM 515 NE2 GLN A 35 13.355 -0.165 5.538 1.00 0.00 N flip ATOM 0 H GLN A 35 11.083 -2.052 9.229 1.00 0.00 H new ATOM 0 HA GLN A 35 13.780 -2.488 9.840 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.191 -1.070 7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.953 -2.276 7.555 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.194 -0.551 7.901 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.434 0.654 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.188 -0.489 6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.395 0.022 4.536 1.00 0.00 H new ATOM 524 N GLU A 36 14.795 -0.524 10.944 1.00 0.00 N ATOM 525 CA GLU A 36 15.411 0.571 11.701 1.00 0.00 C ATOM 526 C GLU A 36 14.572 0.915 12.941 1.00 0.00 C ATOM 527 O GLU A 36 14.684 2.001 13.509 1.00 0.00 O ATOM 528 CB GLU A 36 15.594 1.803 10.789 1.00 0.00 C ATOM 529 CG GLU A 36 16.545 2.865 11.341 1.00 0.00 C ATOM 530 CD GLU A 36 16.805 3.990 10.349 1.00 0.00 C ATOM 531 OE1 GLU A 36 17.626 3.797 9.422 1.00 0.00 O ATOM 532 OE2 GLU A 36 16.183 5.069 10.480 1.00 0.00 O ATOM 0 H GLU A 36 15.385 -1.353 10.865 1.00 0.00 H new ATOM 0 HA GLU A 36 16.394 0.252 12.048 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.965 1.470 9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.619 2.260 10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.126 3.282 12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.492 2.396 11.609 1.00 0.00 H new ATOM 539 N GLY A 37 13.741 -0.036 13.367 1.00 0.00 N ATOM 540 CA GLY A 37 12.888 0.168 14.527 1.00 0.00 C ATOM 541 C GLY A 37 11.470 0.539 14.141 1.00 0.00 C ATOM 542 O GLY A 37 10.552 0.466 14.964 1.00 0.00 O ATOM 0 H GLY A 37 13.644 -0.950 12.925 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.872 -0.741 15.128 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.310 0.956 15.151 1.00 0.00 H new ATOM 546 N GLY A 38 11.288 0.935 12.885 1.00 0.00 N ATOM 547 CA GLY A 38 9.975 1.305 12.387 1.00 0.00 C ATOM 548 C GLY A 38 9.775 2.807 12.346 1.00 0.00 C ATOM 549 O GLY A 38 10.475 3.509 11.610 1.00 0.00 O ATOM 0 H GLY A 38 12.036 1.007 12.196 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.841 0.896 11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.210 0.856 13.020 1.00 0.00 H new ATOM 553 N GLY A 39 8.834 3.300 13.147 1.00 0.00 N ATOM 554 CA GLY A 39 8.511 4.715 13.155 1.00 0.00 C ATOM 555 C GLY A 39 7.325 5.027 12.260 1.00 0.00 C ATOM 556 O GLY A 39 7.097 4.335 11.263 1.00 0.00 O ATOM 0 H GLY A 39 8.285 2.737 13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.291 5.032 14.174 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.377 5.288 12.824 1.00 0.00 H new ATOM 560 N ILE A 40 6.565 6.060 12.616 1.00 0.00 N ATOM 561 CA ILE A 40 5.400 6.470 11.833 1.00 0.00 C ATOM 562 C ILE A 40 5.797 6.753 10.378 1.00 0.00 C ATOM 563 O ILE A 40 6.580 7.664 10.096 1.00 0.00 O ATOM 564 CB ILE A 40 4.700 7.713 12.451 1.00 0.00 C ATOM 565 CG1 ILE A 40 3.514 8.172 11.576 1.00 0.00 C ATOM 566 CG2 ILE A 40 5.693 8.856 12.665 1.00 0.00 C ATOM 567 CD1 ILE A 40 2.421 7.133 11.420 1.00 0.00 C ATOM 0 H ILE A 40 6.735 6.631 13.444 1.00 0.00 H new ATOM 0 HA ILE A 40 4.689 5.644 11.851 1.00 0.00 H new ATOM 0 HB ILE A 40 4.308 7.423 13.426 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.083 9.074 12.011 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.888 8.441 10.588 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.175 9.712 13.098 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.483 8.530 13.341 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.130 9.143 11.708 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.625 7.533 10.792 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.834 6.237 10.956 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.017 6.880 12.400 1.00 0.00 H new ATOM 579 N SER A 41 5.266 5.955 9.462 1.00 0.00 N ATOM 580 CA SER A 41 5.589 6.076 8.049 1.00 0.00 C ATOM 581 C SER A 41 4.341 6.443 7.248 1.00 0.00 C ATOM 582 O SER A 41 3.237 6.525 7.798 1.00 0.00 O ATOM 583 CB SER A 41 6.188 4.757 7.541 1.00 0.00 C ATOM 584 OG SER A 41 7.297 4.358 8.336 1.00 0.00 O ATOM 0 H SER A 41 4.603 5.210 9.676 1.00 0.00 H new ATOM 0 HA SER A 41 6.323 6.871 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.426 3.978 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.503 4.873 6.504 1.00 0.00 H new ATOM 0 HG SER A 41 7.012 4.258 9.268 1.00 0.00 H new ATOM 590 N ARG A 42 4.529 6.678 5.957 1.00 0.00 N ATOM 591 CA ARG A 42 3.430 6.982 5.052 1.00 0.00 C ATOM 592 C ARG A 42 3.639 6.246 3.738 1.00 0.00 C ATOM 593 O ARG A 42 4.757 6.188 3.228 1.00 0.00 O ATOM 594 CB ARG A 42 3.348 8.493 4.796 1.00 0.00 C ATOM 595 CG ARG A 42 2.223 8.898 3.845 1.00 0.00 C ATOM 596 CD ARG A 42 2.269 10.383 3.517 1.00 0.00 C ATOM 597 NE ARG A 42 3.509 10.754 2.832 1.00 0.00 N ATOM 598 CZ ARG A 42 3.742 11.950 2.292 1.00 0.00 C ATOM 599 NH1 ARG A 42 2.817 12.899 2.347 1.00 0.00 N ATOM 600 NH2 ARG A 42 4.898 12.190 1.689 1.00 0.00 N ATOM 0 H ARG A 42 5.445 6.663 5.509 1.00 0.00 H new ATOM 0 HA ARG A 42 2.495 6.657 5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.209 9.006 5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.298 8.834 4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.299 8.320 2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.261 8.655 4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.416 10.643 2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.176 10.961 4.437 1.00 0.00 H new ATOM 0 HE ARG A 42 4.244 10.050 2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.924 12.715 2.804 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.999 13.813 1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.608 11.460 1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.077 13.105 1.275 1.00 0.00 H new ATOM 614 N VAL A 43 2.567 5.674 3.204 1.00 0.00 N ATOM 615 CA VAL A 43 2.615 4.996 1.917 1.00 0.00 C ATOM 616 C VAL A 43 2.125 5.935 0.819 1.00 0.00 C ATOM 617 O VAL A 43 0.980 6.397 0.851 1.00 0.00 O ATOM 618 CB VAL A 43 1.754 3.707 1.924 1.00 0.00 C ATOM 619 CG1 VAL A 43 1.841 2.982 0.580 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.175 2.787 3.069 1.00 0.00 C ATOM 0 H VAL A 43 1.648 5.667 3.647 1.00 0.00 H new ATOM 0 HA VAL A 43 3.650 4.712 1.725 1.00 0.00 H new ATOM 0 HB VAL A 43 0.714 3.993 2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.228 2.081 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.480 3.639 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.877 2.709 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.560 1.887 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.223 2.512 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.043 3.305 4.019 1.00 0.00 H new ATOM 630 N GLY A 44 3.002 6.223 -0.135 1.00 0.00 N ATOM 631 CA GLY A 44 2.674 7.116 -1.232 1.00 0.00 C ATOM 632 C GLY A 44 2.711 6.410 -2.573 1.00 0.00 C ATOM 633 O GLY A 44 3.772 6.278 -3.183 1.00 0.00 O ATOM 0 H GLY A 44 3.950 5.847 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.681 7.537 -1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.376 7.950 -1.242 1.00 0.00 H new ATOM 637 N VAL A 45 1.556 5.942 -3.029 1.00 0.00 N ATOM 638 CA VAL A 45 1.452 5.263 -4.317 1.00 0.00 C ATOM 639 C VAL A 45 1.108 6.268 -5.419 1.00 0.00 C ATOM 640 O VAL A 45 0.036 6.884 -5.396 1.00 0.00 O ATOM 641 CB VAL A 45 0.378 4.146 -4.285 1.00 0.00 C ATOM 642 CG1 VAL A 45 0.298 3.421 -5.629 1.00 0.00 C ATOM 643 CG2 VAL A 45 0.659 3.161 -3.150 1.00 0.00 C ATOM 0 H VAL A 45 0.673 6.020 -2.524 1.00 0.00 H new ATOM 0 HA VAL A 45 2.419 4.805 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.590 4.613 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.463 2.643 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.037 4.133 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.264 2.970 -5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.106 2.385 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.638 2.705 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.646 3.690 -2.197 1.00 0.00 H new ATOM 653 N CYS A 46 2.019 6.436 -6.373 1.00 0.00 N ATOM 654 CA CYS A 46 1.819 7.363 -7.483 1.00 0.00 C ATOM 655 C CYS A 46 1.821 6.619 -8.813 1.00 0.00 C ATOM 656 O CYS A 46 2.705 5.805 -9.067 1.00 0.00 O ATOM 657 CB CYS A 46 2.922 8.426 -7.486 1.00 0.00 C ATOM 658 SG CYS A 46 4.597 7.749 -7.561 1.00 0.00 S ATOM 0 H CYS A 46 2.909 5.939 -6.399 1.00 0.00 H new ATOM 0 HA CYS A 46 0.851 7.847 -7.354 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.771 9.089 -8.338 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.827 9.035 -6.587 1.00 0.00 H new ATOM 0 HG CYS A 46 5.346 8.345 -6.681 1.00 0.00 H new ATOM 664 N LYS A 47 0.826 6.889 -9.652 1.00 0.00 N ATOM 665 CA LYS A 47 0.788 6.308 -10.987 1.00 0.00 C ATOM 666 C LYS A 47 1.818 7.004 -11.873 1.00 0.00 C ATOM 667 O LYS A 47 1.601 8.132 -12.319 1.00 0.00 O ATOM 668 CB LYS A 47 -0.613 6.429 -11.607 1.00 0.00 C ATOM 669 CG LYS A 47 -0.758 5.686 -12.937 1.00 0.00 C ATOM 670 CD LYS A 47 -2.126 5.912 -13.575 1.00 0.00 C ATOM 671 CE LYS A 47 -2.280 5.141 -14.886 1.00 0.00 C ATOM 672 NZ LYS A 47 -2.184 3.664 -14.691 1.00 0.00 N ATOM 0 H LYS A 47 0.041 7.502 -9.432 1.00 0.00 H new ATOM 0 HA LYS A 47 1.027 5.247 -10.911 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.348 6.042 -10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.843 7.483 -11.762 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.021 6.017 -13.624 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.606 4.619 -12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.906 5.604 -12.879 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.268 6.977 -13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.242 5.384 -15.336 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.510 5.463 -15.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.444 3.180 -15.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.209 3.411 -14.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.831 3.371 -13.932 1.00 0.00 H new ATOM 686 N VAL A 48 2.950 6.344 -12.091 1.00 0.00 N ATOM 687 CA VAL A 48 4.007 6.896 -12.926 1.00 0.00 C ATOM 688 C VAL A 48 3.602 6.838 -14.397 1.00 0.00 C ATOM 689 O VAL A 48 3.246 5.773 -14.924 1.00 0.00 O ATOM 690 CB VAL A 48 5.363 6.172 -12.713 1.00 0.00 C ATOM 691 CG1 VAL A 48 5.859 6.373 -11.282 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.256 4.683 -13.044 1.00 0.00 C ATOM 0 H VAL A 48 3.158 5.425 -11.700 1.00 0.00 H new ATOM 0 HA VAL A 48 4.145 7.936 -12.629 1.00 0.00 H new ATOM 0 HB VAL A 48 6.089 6.612 -13.396 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.811 5.858 -11.151 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.993 7.437 -11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.128 5.967 -10.583 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.222 4.204 -12.885 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.511 4.219 -12.398 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.959 4.562 -14.086 1.00 0.00 H new ATOM 702 N MET A 49 3.645 7.997 -15.043 1.00 0.00 N ATOM 703 CA MET A 49 3.220 8.133 -16.429 1.00 0.00 C ATOM 704 C MET A 49 4.379 7.845 -17.376 1.00 0.00 C ATOM 705 O MET A 49 5.494 7.540 -16.943 1.00 0.00 O ATOM 706 CB MET A 49 2.670 9.547 -16.676 1.00 0.00 C ATOM 707 CG MET A 49 1.476 9.897 -15.796 1.00 0.00 C ATOM 708 SD MET A 49 0.091 8.765 -16.029 1.00 0.00 S ATOM 709 CE MET A 49 -1.077 9.405 -14.829 1.00 0.00 C ATOM 0 H MET A 49 3.974 8.866 -14.622 1.00 0.00 H new ATOM 0 HA MET A 49 2.430 7.408 -16.622 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.464 10.273 -16.502 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.379 9.637 -17.723 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.782 9.881 -14.750 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.151 10.914 -16.017 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.055 8.953 -14.996 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.734 9.165 -13.823 1.00 0.00 H new ATOM 0 HE3 MET A 49 -1.154 10.487 -14.937 1.00 0.00 H new ATOM 828 N GLY A 58 2.556 2.718 -14.787 1.00 0.00 N ATOM 829 CA GLY A 58 2.775 1.965 -13.561 1.00 0.00 C ATOM 830 C GLY A 58 2.504 2.770 -12.307 1.00 0.00 C ATOM 831 O GLY A 58 2.016 3.894 -12.374 1.00 0.00 O ATOM 0 HA2 GLY A 58 2.133 1.084 -13.564 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.805 1.609 -13.540 1.00 0.00 H new ATOM 835 N PHE A 59 2.821 2.179 -11.157 1.00 0.00 N ATOM 836 CA PHE A 59 2.666 2.833 -9.861 1.00 0.00 C ATOM 837 C PHE A 59 3.944 2.671 -9.038 1.00 0.00 C ATOM 838 O PHE A 59 4.394 1.551 -8.789 1.00 0.00 O ATOM 839 CB PHE A 59 1.477 2.241 -9.083 1.00 0.00 C ATOM 840 CG PHE A 59 0.135 2.475 -9.737 1.00 0.00 C ATOM 841 CD1 PHE A 59 -0.239 1.748 -10.855 1.00 0.00 C ATOM 842 CD2 PHE A 59 -0.748 3.423 -9.237 1.00 0.00 C ATOM 843 CE1 PHE A 59 -1.458 1.956 -11.464 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.973 3.634 -9.845 1.00 0.00 C ATOM 845 CZ PHE A 59 -2.326 2.898 -10.959 1.00 0.00 C ATOM 0 H PHE A 59 3.193 1.231 -11.098 1.00 0.00 H new ATOM 0 HA PHE A 59 2.475 3.892 -10.037 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.631 1.168 -8.967 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.461 2.671 -8.082 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.435 1.006 -11.256 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.476 4.001 -8.366 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.732 1.381 -12.336 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.653 4.374 -9.449 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.282 3.061 -11.434 1.00 0.00 H new ATOM 855 N LEU A 60 4.534 3.787 -8.635 1.00 0.00 N ATOM 856 CA LEU A 60 5.703 3.762 -7.766 1.00 0.00 C ATOM 857 C LEU A 60 5.237 3.541 -6.329 1.00 0.00 C ATOM 858 O LEU A 60 4.561 4.398 -5.753 1.00 0.00 O ATOM 859 CB LEU A 60 6.488 5.088 -7.875 1.00 0.00 C ATOM 860 CG LEU A 60 8.000 5.034 -7.548 1.00 0.00 C ATOM 861 CD1 LEU A 60 8.586 6.444 -7.492 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.283 4.290 -6.242 1.00 0.00 C ATOM 0 H LEU A 60 4.222 4.723 -8.896 1.00 0.00 H new ATOM 0 HA LEU A 60 6.367 2.953 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.374 5.468 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.022 5.814 -7.209 1.00 0.00 H new ATOM 0 HG LEU A 60 8.483 4.477 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.650 6.387 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.450 6.933 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.077 7.019 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.357 4.278 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.777 4.794 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.917 3.266 -6.320 1.00 0.00 H new ATOM 874 N ILE A 61 5.564 2.382 -5.765 1.00 0.00 N ATOM 875 CA ILE A 61 5.276 2.122 -4.363 1.00 0.00 C ATOM 876 C ILE A 61 6.290 2.871 -3.505 1.00 0.00 C ATOM 877 O ILE A 61 7.320 2.322 -3.101 1.00 0.00 O ATOM 878 CB ILE A 61 5.300 0.605 -4.034 1.00 0.00 C ATOM 879 CG1 ILE A 61 4.302 -0.151 -4.929 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.989 0.363 -2.554 1.00 0.00 C ATOM 881 CD1 ILE A 61 2.866 0.319 -4.790 1.00 0.00 C ATOM 0 H ILE A 61 6.025 1.615 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 61 4.268 2.475 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 61 6.302 0.226 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.609 -0.043 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.350 -1.214 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.012 -0.707 -2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.734 0.867 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.000 0.757 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.227 -0.264 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.537 0.185 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.801 1.374 -5.057 1.00 0.00 H new ATOM 893 N HIS A 62 6.017 4.151 -3.297 1.00 0.00 N ATOM 894 CA HIS A 62 6.905 5.035 -2.558 1.00 0.00 C ATOM 895 C HIS A 62 6.402 5.192 -1.127 1.00 0.00 C ATOM 896 O HIS A 62 5.261 4.842 -0.824 1.00 0.00 O ATOM 897 CB HIS A 62 6.962 6.402 -3.260 1.00 0.00 C ATOM 898 CG HIS A 62 7.969 7.355 -2.686 1.00 0.00 C ATOM 899 ND1 HIS A 62 7.730 8.167 -1.598 1.00 0.00 N ATOM 900 CD2 HIS A 62 9.239 7.632 -3.085 1.00 0.00 C ATOM 901 CE1 HIS A 62 8.831 8.895 -1.378 1.00 0.00 C ATOM 902 NE2 HIS A 62 9.776 8.608 -2.252 1.00 0.00 N ATOM 0 H HIS A 62 5.170 4.607 -3.637 1.00 0.00 H new ATOM 0 HA HIS A 62 7.908 4.608 -2.529 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.189 6.245 -4.315 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.975 6.863 -3.211 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.749 7.168 -3.916 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.933 9.623 -0.587 1.00 0.00 H new ATOM 0 HE2 HIS A 62 10.709 9.017 -2.306 1.00 0.00 H new ATOM 910 N GLY A 63 7.257 5.695 -0.248 1.00 0.00 N ATOM 911 CA GLY A 63 6.850 5.955 1.119 1.00 0.00 C ATOM 912 C GLY A 63 8.009 6.421 1.966 1.00 0.00 C ATOM 913 O GLY A 63 9.155 6.044 1.710 1.00 0.00 O ATOM 0 H GLY A 63 8.228 5.928 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.065 6.711 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.424 5.049 1.551 1.00 0.00 H new ATOM 917 N GLU A 64 7.723 7.239 2.969 1.00 0.00 N ATOM 918 CA GLU A 64 8.758 7.783 3.841 1.00 0.00 C ATOM 919 C GLU A 64 8.271 7.854 5.284 1.00 0.00 C ATOM 920 O GLU A 64 7.093 7.625 5.568 1.00 0.00 O ATOM 921 CB GLU A 64 9.205 9.178 3.364 1.00 0.00 C ATOM 922 CG GLU A 64 8.115 10.247 3.413 1.00 0.00 C ATOM 923 CD GLU A 64 7.017 10.031 2.383 1.00 0.00 C ATOM 924 OE1 GLU A 64 7.165 10.513 1.241 1.00 0.00 O ATOM 925 OE2 GLU A 64 5.995 9.396 2.714 1.00 0.00 O ATOM 0 H GLU A 64 6.777 7.543 3.201 1.00 0.00 H new ATOM 0 HA GLU A 64 9.615 7.111 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.044 9.505 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.571 9.097 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.672 10.260 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.567 11.226 3.252 1.00 0.00 H new ATOM 932 N ARG A 65 9.192 8.159 6.192 1.00 0.00 N ATOM 933 CA ARG A 65 8.875 8.313 7.605 1.00 0.00 C ATOM 934 C ARG A 65 8.364 9.731 7.858 1.00 0.00 C ATOM 935 O ARG A 65 9.085 10.702 7.617 1.00 0.00 O ATOM 936 CB ARG A 65 10.127 8.030 8.449 1.00 0.00 C ATOM 937 CG ARG A 65 9.883 8.005 9.956 1.00 0.00 C ATOM 938 CD ARG A 65 11.163 7.678 10.721 1.00 0.00 C ATOM 939 NE ARG A 65 11.768 6.424 10.262 1.00 0.00 N ATOM 940 CZ ARG A 65 13.055 6.102 10.426 1.00 0.00 C ATOM 941 NH1 ARG A 65 13.881 6.909 11.081 1.00 0.00 N ATOM 942 NH2 ARG A 65 13.520 4.960 9.944 1.00 0.00 N ATOM 0 H ARG A 65 10.176 8.306 5.969 1.00 0.00 H new ATOM 0 HA ARG A 65 8.098 7.603 7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.545 7.070 8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.878 8.789 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.500 8.973 10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.118 7.265 10.190 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.877 8.492 10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.941 7.606 11.786 1.00 0.00 H new ATOM 0 HE ARG A 65 11.166 5.752 9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.536 7.788 11.467 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.861 6.650 11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.896 4.325 9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.502 4.716 10.070 1.00 0.00 H new ATOM 956 N GLN A 66 7.124 9.849 8.337 1.00 0.00 N ATOM 957 CA GLN A 66 6.480 11.155 8.495 1.00 0.00 C ATOM 958 C GLN A 66 7.243 12.041 9.480 1.00 0.00 C ATOM 959 O GLN A 66 6.972 12.041 10.683 1.00 0.00 O ATOM 960 CB GLN A 66 5.010 11.009 8.915 1.00 0.00 C ATOM 961 CG GLN A 66 4.130 10.364 7.847 1.00 0.00 C ATOM 962 CD GLN A 66 2.645 10.572 8.097 1.00 0.00 C ATOM 963 OE1 GLN A 66 2.064 11.564 7.650 1.00 0.00 O ATOM 964 NE2 GLN A 66 2.019 9.643 8.803 1.00 0.00 N ATOM 0 H GLN A 66 6.547 9.058 8.622 1.00 0.00 H new ATOM 0 HA GLN A 66 6.502 11.645 7.521 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.959 10.412 9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.610 11.994 9.157 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.390 10.776 6.872 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.340 9.295 7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.535 8.837 9.156 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.021 9.734 8.994 1.00 0.00 H new ATOM 973 N LYS A 67 8.213 12.769 8.933 1.00 0.00 N ATOM 974 CA LYS A 67 9.047 13.711 9.677 1.00 0.00 C ATOM 975 C LYS A 67 10.068 14.316 8.720 1.00 0.00 C ATOM 976 O LYS A 67 10.493 15.462 8.873 1.00 0.00 O ATOM 977 CB LYS A 67 9.767 13.022 10.851 1.00 0.00 C ATOM 978 CG LYS A 67 10.631 13.968 11.682 1.00 0.00 C ATOM 979 CD LYS A 67 11.211 13.286 12.920 1.00 0.00 C ATOM 980 CE LYS A 67 12.153 12.145 12.558 1.00 0.00 C ATOM 981 NZ LYS A 67 12.747 11.513 13.764 1.00 0.00 N ATOM 0 H LYS A 67 8.446 12.720 7.941 1.00 0.00 H new ATOM 0 HA LYS A 67 8.411 14.491 10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.024 12.559 11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.394 12.220 10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.445 14.350 11.065 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.034 14.827 11.989 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.747 14.021 13.521 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.398 12.902 13.536 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.610 11.394 11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.949 12.522 11.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.382 10.742 13.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.287 12.224 14.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.989 11.131 14.365 1.00 0.00 H new ATOM 995 N ASP A 68 10.446 13.520 7.724 1.00 0.00 N ATOM 996 CA ASP A 68 11.374 13.934 6.673 1.00 0.00 C ATOM 997 C ASP A 68 11.145 13.063 5.441 1.00 0.00 C ATOM 998 O ASP A 68 10.422 12.071 5.513 1.00 0.00 O ATOM 999 CB ASP A 68 12.832 13.812 7.165 1.00 0.00 C ATOM 1000 CG ASP A 68 13.862 14.078 6.072 1.00 0.00 C ATOM 1001 OD1 ASP A 68 13.823 15.167 5.456 1.00 0.00 O ATOM 1002 OD2 ASP A 68 14.714 13.198 5.820 1.00 0.00 O ATOM 0 H ASP A 68 10.115 12.561 7.622 1.00 0.00 H new ATOM 0 HA ASP A 68 11.195 14.978 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.992 14.514 7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.990 12.811 7.567 1.00 0.00 H new ATOM 1007 N LYS A 69 11.768 13.417 4.321 1.00 0.00 N ATOM 1008 CA LYS A 69 11.645 12.642 3.085 1.00 0.00 C ATOM 1009 C LYS A 69 12.463 11.341 3.161 1.00 0.00 C ATOM 1010 O LYS A 69 12.755 10.723 2.138 1.00 0.00 O ATOM 1011 CB LYS A 69 12.097 13.488 1.884 1.00 0.00 C ATOM 1012 CG LYS A 69 11.345 14.809 1.745 1.00 0.00 C ATOM 1013 CD LYS A 69 11.727 15.555 0.467 1.00 0.00 C ATOM 1014 CE LYS A 69 11.055 16.923 0.385 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.324 17.602 -0.911 1.00 0.00 N ATOM 0 H LYS A 69 12.366 14.239 4.241 1.00 0.00 H new ATOM 0 HA LYS A 69 10.597 12.372 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.163 13.695 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.964 12.907 0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.272 14.617 1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.556 15.439 2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.809 15.679 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.444 14.959 -0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.979 16.806 0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.410 17.550 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.849 18.527 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.349 17.737 -1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.963 17.017 -1.691 1.00 0.00 H new ATOM 1029 N LEU A 70 12.840 10.948 4.382 1.00 0.00 N ATOM 1030 CA LEU A 70 13.526 9.682 4.635 1.00 0.00 C ATOM 1031 C LEU A 70 12.658 8.529 4.131 1.00 0.00 C ATOM 1032 O LEU A 70 11.726 8.103 4.817 1.00 0.00 O ATOM 1033 CB LEU A 70 13.803 9.547 6.150 1.00 0.00 C ATOM 1034 CG LEU A 70 14.806 8.454 6.590 1.00 0.00 C ATOM 1035 CD1 LEU A 70 15.150 8.621 8.067 1.00 0.00 C ATOM 1036 CD2 LEU A 70 14.267 7.044 6.340 1.00 0.00 C ATOM 0 H LEU A 70 12.677 11.502 5.223 1.00 0.00 H new ATOM 0 HA LEU A 70 14.478 9.655 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.169 10.507 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.854 9.357 6.651 1.00 0.00 H new ATOM 0 HG LEU A 70 15.705 8.577 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.856 7.847 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.597 9.602 8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.242 8.534 8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.005 6.310 6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.343 6.903 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.068 6.914 5.276 1.00 0.00 H new ATOM 1048 N VAL A 71 12.958 8.049 2.931 1.00 0.00 N ATOM 1049 CA VAL A 71 12.149 7.018 2.290 1.00 0.00 C ATOM 1050 C VAL A 71 12.287 5.664 2.990 1.00 0.00 C ATOM 1051 O VAL A 71 13.396 5.206 3.288 1.00 0.00 O ATOM 1052 CB VAL A 71 12.496 6.869 0.786 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.107 8.134 0.021 1.00 0.00 C ATOM 1054 CG2 VAL A 71 13.980 6.555 0.593 1.00 0.00 C ATOM 0 H VAL A 71 13.758 8.358 2.379 1.00 0.00 H new ATOM 0 HA VAL A 71 11.113 7.345 2.377 1.00 0.00 H new ATOM 0 HB VAL A 71 11.923 6.033 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.357 8.013 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.035 8.305 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.651 8.987 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.196 6.456 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.580 7.363 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.224 5.622 1.101 1.00 0.00 H new ATOM 1064 N VAL A 72 11.141 5.053 3.275 1.00 0.00 N ATOM 1065 CA VAL A 72 11.083 3.712 3.848 1.00 0.00 C ATOM 1066 C VAL A 72 10.552 2.721 2.811 1.00 0.00 C ATOM 1067 O VAL A 72 10.661 1.505 2.984 1.00 0.00 O ATOM 1068 CB VAL A 72 10.185 3.664 5.113 1.00 0.00 C ATOM 1069 CG1 VAL A 72 10.719 4.606 6.192 1.00 0.00 C ATOM 1070 CG2 VAL A 72 8.732 4.002 4.768 1.00 0.00 C ATOM 0 H VAL A 72 10.226 5.474 3.115 1.00 0.00 H new ATOM 0 HA VAL A 72 12.097 3.437 4.140 1.00 0.00 H new ATOM 0 HB VAL A 72 10.210 2.647 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.074 4.556 7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.731 4.308 6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.733 5.627 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.124 3.961 5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.683 5.004 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.353 3.281 4.043 1.00 0.00 H new ATOM 1080 N LEU A 73 9.970 3.255 1.734 1.00 0.00 N ATOM 1081 CA LEU A 73 9.440 2.443 0.641 1.00 0.00 C ATOM 1082 C LEU A 73 9.912 2.983 -0.701 1.00 0.00 C ATOM 1083 O LEU A 73 9.865 4.193 -0.945 1.00 0.00 O ATOM 1084 CB LEU A 73 7.903 2.423 0.653 1.00 0.00 C ATOM 1085 CG LEU A 73 7.244 1.618 1.779 1.00 0.00 C ATOM 1086 CD1 LEU A 73 5.720 1.702 1.670 1.00 0.00 C ATOM 1087 CD2 LEU A 73 7.712 0.161 1.747 1.00 0.00 C ATOM 0 H LEU A 73 9.854 4.259 1.597 1.00 0.00 H new ATOM 0 HA LEU A 73 9.810 1.428 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.548 3.452 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.558 2.023 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 73 7.545 2.048 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.265 1.126 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.407 2.743 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.401 1.297 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.233 -0.393 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.443 -0.287 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.794 0.124 1.874 1.00 0.00 H new ATOM 1099 N GLU A 74 10.359 2.076 -1.561 1.00 0.00 N ATOM 1100 CA GLU A 74 10.742 2.412 -2.923 1.00 0.00 C ATOM 1101 C GLU A 74 10.706 1.137 -3.766 1.00 0.00 C ATOM 1102 O GLU A 74 11.669 0.367 -3.795 1.00 0.00 O ATOM 1103 CB GLU A 74 12.139 3.068 -2.950 1.00 0.00 C ATOM 1104 CG GLU A 74 12.410 3.947 -4.177 1.00 0.00 C ATOM 1105 CD GLU A 74 12.608 3.163 -5.469 1.00 0.00 C ATOM 1106 OE1 GLU A 74 11.609 2.846 -6.146 1.00 0.00 O ATOM 1107 OE2 GLU A 74 13.774 2.882 -5.826 1.00 0.00 O ATOM 0 H GLU A 74 10.465 1.088 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 74 10.042 3.137 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.258 3.674 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.895 2.284 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.577 4.638 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.298 4.550 -3.990 1.00 0.00 H new ATOM 1114 N CYS A 75 9.563 0.892 -4.395 1.00 0.00 N ATOM 1115 CA CYS A 75 9.380 -0.274 -5.252 1.00 0.00 C ATOM 1116 C CYS A 75 8.656 0.135 -6.532 1.00 0.00 C ATOM 1117 O CYS A 75 7.454 0.414 -6.518 1.00 0.00 O ATOM 1118 CB CYS A 75 8.593 -1.361 -4.507 1.00 0.00 C ATOM 1119 SG CYS A 75 9.373 -1.897 -2.967 1.00 0.00 S ATOM 0 H CYS A 75 8.741 1.492 -4.327 1.00 0.00 H new ATOM 0 HA CYS A 75 10.356 -0.681 -5.517 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.593 -0.987 -4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.473 -2.224 -5.162 1.00 0.00 H new ATOM 0 HG CYS A 75 9.181 -3.172 -2.804 1.00 0.00 H new ATOM 1125 N TYR A 76 9.399 0.199 -7.630 1.00 0.00 N ATOM 1126 CA TYR A 76 8.846 0.611 -8.913 1.00 0.00 C ATOM 1127 C TYR A 76 8.021 -0.524 -9.518 1.00 0.00 C ATOM 1128 O TYR A 76 8.572 -1.481 -10.067 1.00 0.00 O ATOM 1129 CB TYR A 76 9.976 1.030 -9.865 1.00 0.00 C ATOM 1130 CG TYR A 76 9.491 1.717 -11.128 1.00 0.00 C ATOM 1131 CD1 TYR A 76 8.979 3.010 -11.079 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.550 1.084 -12.367 1.00 0.00 C ATOM 1133 CE1 TYR A 76 8.540 3.646 -12.222 1.00 0.00 C ATOM 1134 CE2 TYR A 76 9.109 1.719 -13.514 1.00 0.00 C ATOM 1135 CZ TYR A 76 8.606 2.998 -13.437 1.00 0.00 C ATOM 1136 OH TYR A 76 8.165 3.633 -14.578 1.00 0.00 O ATOM 0 H TYR A 76 10.392 -0.031 -7.657 1.00 0.00 H new ATOM 0 HA TYR A 76 8.191 1.468 -8.759 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.654 1.700 -9.336 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.552 0.147 -10.141 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.924 3.524 -10.131 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.946 0.082 -12.433 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.145 4.650 -12.165 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.159 1.213 -14.467 1.00 0.00 H new ATOM 0 HH TYR A 76 8.282 3.039 -15.349 1.00 0.00 H new ATOM 1146 N VAL A 77 6.701 -0.424 -9.394 1.00 0.00 N ATOM 1147 CA VAL A 77 5.796 -1.452 -9.889 1.00 0.00 C ATOM 1148 C VAL A 77 5.145 -0.994 -11.189 1.00 0.00 C ATOM 1149 O VAL A 77 4.196 -0.213 -11.181 1.00 0.00 O ATOM 1150 CB VAL A 77 4.704 -1.791 -8.840 1.00 0.00 C ATOM 1151 CG1 VAL A 77 3.681 -2.773 -9.404 1.00 0.00 C ATOM 1152 CG2 VAL A 77 5.343 -2.344 -7.567 1.00 0.00 C ATOM 0 H VAL A 77 6.233 0.366 -8.951 1.00 0.00 H new ATOM 0 HA VAL A 77 6.379 -2.354 -10.076 1.00 0.00 H new ATOM 0 HB VAL A 77 4.176 -0.871 -8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.929 -2.991 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.199 -2.334 -10.278 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.183 -3.696 -9.692 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.564 -2.577 -6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.901 -3.250 -7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.020 -1.600 -7.147 1.00 0.00 H new ATOM 1162 N ARG A 78 5.677 -1.467 -12.308 1.00 0.00 N ATOM 1163 CA ARG A 78 5.174 -1.083 -13.627 1.00 0.00 C ATOM 1164 C ARG A 78 4.430 -2.242 -14.284 1.00 0.00 C ATOM 1165 O ARG A 78 3.620 -2.042 -15.190 1.00 0.00 O ATOM 1166 CB ARG A 78 6.332 -0.636 -14.529 1.00 0.00 C ATOM 1167 CG ARG A 78 7.452 -1.666 -14.628 1.00 0.00 C ATOM 1168 CD ARG A 78 8.544 -1.249 -15.603 1.00 0.00 C ATOM 1169 NE ARG A 78 9.699 -2.141 -15.511 1.00 0.00 N ATOM 1170 CZ ARG A 78 10.458 -2.516 -16.542 1.00 0.00 C ATOM 1171 NH1 ARG A 78 10.176 -2.114 -17.777 1.00 0.00 N ATOM 1172 NH2 ARG A 78 11.497 -3.312 -16.328 1.00 0.00 N ATOM 0 H ARG A 78 6.460 -2.120 -12.332 1.00 0.00 H new ATOM 0 HA ARG A 78 4.480 -0.253 -13.494 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.947 -0.431 -15.528 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.741 0.299 -14.147 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.889 -1.818 -13.641 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.035 -2.623 -14.943 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.152 -1.260 -16.620 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.853 -0.225 -15.392 1.00 0.00 H new ATOM 0 HE ARG A 78 9.943 -2.504 -14.589 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.371 -1.511 -17.946 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.765 -2.408 -18.556 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.709 -3.631 -15.383 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.084 -3.605 -17.109 1.00 0.00 H new ATOM 1186 N LYS A 79 4.706 -3.453 -13.815 1.00 0.00 N ATOM 1187 CA LYS A 79 4.166 -4.662 -14.423 1.00 0.00 C ATOM 1188 C LYS A 79 3.408 -5.476 -13.374 1.00 0.00 C ATOM 1189 O LYS A 79 3.940 -6.430 -12.805 1.00 0.00 O ATOM 1190 CB LYS A 79 5.312 -5.476 -15.065 1.00 0.00 C ATOM 1191 CG LYS A 79 4.873 -6.533 -16.088 1.00 0.00 C ATOM 1192 CD LYS A 79 4.336 -7.805 -15.436 1.00 0.00 C ATOM 1193 CE LYS A 79 3.969 -8.862 -16.472 1.00 0.00 C ATOM 1194 NZ LYS A 79 5.130 -9.239 -17.323 1.00 0.00 N ATOM 0 H LYS A 79 5.306 -3.624 -13.008 1.00 0.00 H new ATOM 0 HA LYS A 79 3.460 -4.399 -15.211 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.998 -4.784 -15.554 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.872 -5.972 -14.272 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.104 -6.109 -16.733 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.719 -6.787 -16.726 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.085 -8.208 -14.755 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.458 -7.563 -14.837 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.589 -9.749 -15.965 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.164 -8.486 -17.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.916 -10.121 -17.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.318 -8.481 -18.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.968 -9.379 -16.724 1.00 0.00 H new ATOM 1208 N ASP A 80 2.177 -5.037 -13.096 1.00 0.00 N ATOM 1209 CA ASP A 80 1.257 -5.728 -12.180 1.00 0.00 C ATOM 1210 C ASP A 80 1.803 -5.786 -10.750 1.00 0.00 C ATOM 1211 O ASP A 80 2.968 -5.481 -10.500 1.00 0.00 O ATOM 1212 CB ASP A 80 0.933 -7.143 -12.689 1.00 0.00 C ATOM 1213 CG ASP A 80 0.319 -7.127 -14.082 1.00 0.00 C ATOM 1214 OD1 ASP A 80 -0.845 -6.706 -14.222 1.00 0.00 O ATOM 1215 OD2 ASP A 80 1.009 -7.523 -15.049 1.00 0.00 O ATOM 0 H ASP A 80 1.786 -4.187 -13.502 1.00 0.00 H new ATOM 0 HA ASP A 80 0.336 -5.145 -12.156 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.845 -7.740 -12.703 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.245 -7.628 -11.996 1.00 0.00 H new ATOM 1220 N LEU A 81 0.944 -6.173 -9.814 1.00 0.00 N ATOM 1221 CA LEU A 81 1.305 -6.234 -8.398 1.00 0.00 C ATOM 1222 C LEU A 81 0.550 -7.393 -7.747 1.00 0.00 C ATOM 1223 O LEU A 81 -0.642 -7.576 -8.001 1.00 0.00 O ATOM 1224 CB LEU A 81 0.967 -4.889 -7.718 1.00 0.00 C ATOM 1225 CG LEU A 81 1.662 -4.597 -6.369 1.00 0.00 C ATOM 1226 CD1 LEU A 81 1.516 -3.123 -6.002 1.00 0.00 C ATOM 1227 CD2 LEU A 81 1.105 -5.471 -5.246 1.00 0.00 C ATOM 0 H LEU A 81 -0.017 -6.452 -10.011 1.00 0.00 H new ATOM 0 HA LEU A 81 2.375 -6.406 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.218 -4.086 -8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.111 -4.849 -7.561 1.00 0.00 H new ATOM 0 HG LEU A 81 2.719 -4.835 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.011 -2.934 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.974 -2.508 -6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.459 -2.872 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.619 -5.236 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.038 -5.279 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.260 -6.522 -5.491 1.00 0.00 H new ATOM 1239 N VAL A 82 1.247 -8.182 -6.930 1.00 0.00 N ATOM 1240 CA VAL A 82 0.647 -9.365 -6.305 1.00 0.00 C ATOM 1241 C VAL A 82 -0.237 -8.976 -5.113 1.00 0.00 C ATOM 1242 O VAL A 82 -1.463 -8.953 -5.228 1.00 0.00 O ATOM 1243 CB VAL A 82 1.730 -10.378 -5.842 1.00 0.00 C ATOM 1244 CG1 VAL A 82 1.086 -11.637 -5.254 1.00 0.00 C ATOM 1245 CG2 VAL A 82 2.667 -10.734 -6.996 1.00 0.00 C ATOM 0 H VAL A 82 2.225 -8.026 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 82 0.027 -9.842 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 82 2.322 -9.906 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.865 -12.330 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.472 -11.365 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.462 -12.113 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.417 -11.445 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.092 -11.180 -7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.161 -9.831 -7.355 1.00 0.00 H new ATOM 1255 N TYR A 83 0.405 -8.662 -3.982 1.00 0.00 N ATOM 1256 CA TYR A 83 -0.286 -8.320 -2.730 1.00 0.00 C ATOM 1257 C TYR A 83 -1.084 -9.513 -2.187 1.00 0.00 C ATOM 1258 O TYR A 83 -1.751 -10.235 -2.933 1.00 0.00 O ATOM 1259 CB TYR A 83 -1.201 -7.088 -2.906 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.984 -5.976 -1.889 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.099 -5.989 -1.015 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -1.869 -4.906 -1.809 1.00 0.00 C ATOM 1263 CE1 TYR A 83 0.292 -4.974 -0.099 1.00 0.00 C ATOM 1264 CE2 TYR A 83 -1.680 -3.887 -0.895 1.00 0.00 C ATOM 1265 CZ TYR A 83 -0.600 -3.928 -0.043 1.00 0.00 C ATOM 1266 OH TYR A 83 -0.409 -2.915 0.870 1.00 0.00 O ATOM 0 H TYR A 83 1.422 -8.637 -3.907 1.00 0.00 H new ATOM 0 HA TYR A 83 0.482 -8.066 -1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.049 -6.681 -3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -2.240 -7.414 -2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 83 0.802 -6.808 -1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.720 -4.871 -2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 83 1.139 -5.001 0.570 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.376 -3.063 -0.849 1.00 0.00 H new ATOM 0 HH TYR A 83 0.002 -2.145 0.424 1.00 0.00 H new ATOM 1276 N THR A 84 -0.986 -9.722 -0.883 1.00 0.00 N ATOM 1277 CA THR A 84 -1.667 -10.817 -0.206 1.00 0.00 C ATOM 1278 C THR A 84 -1.894 -10.444 1.259 1.00 0.00 C ATOM 1279 O THR A 84 -0.936 -10.207 2.001 1.00 0.00 O ATOM 1280 CB THR A 84 -0.841 -12.125 -0.285 1.00 0.00 C ATOM 1281 OG1 THR A 84 -0.622 -12.494 -1.659 1.00 0.00 O ATOM 1282 CG2 THR A 84 -1.536 -13.271 0.446 1.00 0.00 C ATOM 0 H THR A 84 -0.430 -9.135 -0.261 1.00 0.00 H new ATOM 0 HA THR A 84 -2.623 -10.987 -0.702 1.00 0.00 H new ATOM 0 HB THR A 84 0.117 -11.939 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.098 -13.321 -1.696 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.928 -14.173 0.370 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.665 -13.008 1.496 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.512 -13.452 -0.005 1.00 0.00 H new ATOM 1290 N LYS A 85 -3.157 -10.367 1.667 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.500 -9.981 3.029 1.00 0.00 C ATOM 1292 C LYS A 85 -3.716 -11.219 3.888 1.00 0.00 C ATOM 1293 O LYS A 85 -4.736 -11.903 3.769 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.749 -9.086 3.038 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.102 -8.533 4.417 1.00 0.00 C ATOM 1296 CD LYS A 85 -6.107 -7.385 4.335 1.00 0.00 C ATOM 1297 CE LYS A 85 -7.420 -7.807 3.686 1.00 0.00 C ATOM 1298 NZ LYS A 85 -8.346 -6.658 3.528 1.00 0.00 N ATOM 0 H LYS A 85 -3.960 -10.568 1.071 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.672 -9.410 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.593 -8.253 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.596 -9.657 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.514 -9.332 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.195 -8.186 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.306 -7.007 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.671 -6.564 3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.219 -8.249 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.895 -8.577 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.276 -6.905 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.964 -5.832 4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.448 -6.430 2.518 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.730 -11.521 4.726 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.811 -12.657 5.636 1.00 0.00 C ATOM 1314 C ALA A 86 -3.537 -12.254 6.912 1.00 0.00 C ATOM 1315 O ALA A 86 -4.196 -13.075 7.554 1.00 0.00 O ATOM 1316 CB ALA A 86 -1.412 -13.181 5.951 1.00 0.00 C ATOM 0 H ALA A 86 -1.861 -10.991 4.793 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.376 -13.457 5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.486 -14.029 6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.926 -13.497 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.824 -12.391 6.418 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.413 -10.979 7.265 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.063 -10.417 8.448 1.00 0.00 C ATOM 1324 C ASN A 87 -4.505 -8.984 8.148 1.00 0.00 C ATOM 1325 O ASN A 87 -3.898 -8.316 7.310 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.107 -10.429 9.658 1.00 0.00 C ATOM 1327 CG ASN A 87 -2.734 -11.831 10.122 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -1.750 -12.413 9.659 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -3.514 -12.377 11.044 1.00 0.00 N ATOM 0 H ASN A 87 -2.858 -10.303 6.739 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.932 -11.027 8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.198 -9.887 9.398 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.573 -9.893 10.485 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.309 -13.312 11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.319 -11.862 11.401 1.00 0.00 H new ATOM 1336 N PRO A 88 -5.549 -8.474 8.832 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.060 -7.106 8.607 1.00 0.00 C ATOM 1338 C PRO A 88 -5.031 -6.023 8.958 1.00 0.00 C ATOM 1339 O PRO A 88 -5.270 -4.834 8.751 1.00 0.00 O ATOM 1340 CB PRO A 88 -7.283 -7.019 9.537 1.00 0.00 C ATOM 1341 CG PRO A 88 -7.052 -8.071 10.571 1.00 0.00 C ATOM 1342 CD PRO A 88 -6.327 -9.185 9.868 1.00 0.00 C ATOM 0 HA PRO A 88 -6.296 -6.932 7.557 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.366 -6.031 9.990 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.209 -7.198 8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.461 -7.681 11.400 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.995 -8.421 10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -5.681 -9.739 10.549 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.019 -9.904 9.430 1.00 0.00 H new ATOM 1350 N THR A 89 -3.893 -6.450 9.494 1.00 0.00 N ATOM 1351 CA THR A 89 -2.802 -5.549 9.848 1.00 0.00 C ATOM 1352 C THR A 89 -1.495 -6.019 9.193 1.00 0.00 C ATOM 1353 O THR A 89 -0.402 -5.577 9.553 1.00 0.00 O ATOM 1354 CB THR A 89 -2.641 -5.481 11.392 1.00 0.00 C ATOM 1355 OG1 THR A 89 -1.565 -4.605 11.757 1.00 0.00 O ATOM 1356 CG2 THR A 89 -2.400 -6.868 11.985 1.00 0.00 C ATOM 0 H THR A 89 -3.701 -7.431 9.696 1.00 0.00 H new ATOM 0 HA THR A 89 -3.037 -4.550 9.480 1.00 0.00 H new ATOM 0 HB THR A 89 -3.572 -5.086 11.798 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.779 -3.690 11.478 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.291 -6.787 13.067 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.246 -7.515 11.752 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.491 -7.293 11.560 1.00 0.00 H new ATOM 1364 N PHE A 90 -1.622 -6.899 8.199 1.00 0.00 N ATOM 1365 CA PHE A 90 -0.464 -7.501 7.540 1.00 0.00 C ATOM 1366 C PHE A 90 -0.814 -7.878 6.092 1.00 0.00 C ATOM 1367 O PHE A 90 -1.477 -8.890 5.839 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.002 -8.730 8.347 1.00 0.00 C ATOM 1369 CG PHE A 90 1.169 -9.485 7.758 1.00 0.00 C ATOM 1370 CD1 PHE A 90 2.481 -9.162 8.097 1.00 0.00 C ATOM 1371 CD2 PHE A 90 0.955 -10.535 6.875 1.00 0.00 C ATOM 1372 CE1 PHE A 90 3.539 -9.864 7.559 1.00 0.00 C ATOM 1373 CE2 PHE A 90 2.014 -11.239 6.340 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.305 -10.905 6.682 1.00 0.00 C ATOM 0 H PHE A 90 -2.521 -7.212 7.832 1.00 0.00 H new ATOM 0 HA PHE A 90 0.355 -6.783 7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.265 -8.405 9.353 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.843 -9.416 8.447 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.671 -8.354 8.788 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.055 -10.804 6.603 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.552 -9.599 7.824 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.830 -12.052 5.653 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.134 -11.457 6.265 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.380 -7.035 5.155 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.637 -7.229 3.723 1.00 0.00 C ATOM 1386 C HIS A 91 0.702 -7.205 2.981 1.00 0.00 C ATOM 1387 O HIS A 91 1.321 -6.148 2.853 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.557 -6.099 3.215 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.431 -6.442 2.033 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.742 -6.019 1.914 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -2.172 -7.152 0.901 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -4.223 -6.476 0.753 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -3.311 -7.170 0.101 1.00 0.00 N ATOM 0 H HIS A 91 0.161 -6.196 5.365 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.130 -8.185 3.547 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.199 -5.782 4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.936 -5.244 2.947 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.232 -7.626 0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.227 -6.300 0.396 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.418 -7.627 -0.805 1.00 0.00 H new ATOM 1401 N HIS A 92 1.166 -8.366 2.524 1.00 0.00 N ATOM 1402 CA HIS A 92 2.500 -8.472 1.920 1.00 0.00 C ATOM 1403 C HIS A 92 2.424 -8.564 0.397 1.00 0.00 C ATOM 1404 O HIS A 92 1.452 -9.078 -0.154 1.00 0.00 O ATOM 1405 CB HIS A 92 3.252 -9.692 2.475 1.00 0.00 C ATOM 1406 CG HIS A 92 2.635 -11.020 2.137 1.00 0.00 C ATOM 1407 ND1 HIS A 92 2.837 -11.687 0.948 1.00 0.00 N ATOM 1408 CD2 HIS A 92 1.832 -11.826 2.880 1.00 0.00 C ATOM 1409 CE1 HIS A 92 2.175 -12.849 1.007 1.00 0.00 C ATOM 1410 NE2 HIS A 92 1.549 -12.982 2.158 1.00 0.00 N ATOM 0 H HIS A 92 0.646 -9.243 2.558 1.00 0.00 H new ATOM 0 HA HIS A 92 3.044 -7.564 2.181 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.274 -9.675 2.096 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.313 -9.601 3.559 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.471 -11.605 3.873 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.157 -13.582 0.214 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.975 -13.770 2.459 1.00 0.00 H new ATOM 1418 N TRP A 93 3.458 -8.060 -0.276 1.00 0.00 N ATOM 1419 CA TRP A 93 3.561 -8.150 -1.728 1.00 0.00 C ATOM 1420 C TRP A 93 4.952 -8.626 -2.132 1.00 0.00 C ATOM 1421 O TRP A 93 5.964 -8.123 -1.634 1.00 0.00 O ATOM 1422 CB TRP A 93 3.254 -6.795 -2.398 1.00 0.00 C ATOM 1423 CG TRP A 93 4.267 -5.710 -2.134 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.259 -5.294 -2.976 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.376 -4.893 -0.960 1.00 0.00 C ATOM 1426 NE1 TRP A 93 5.975 -4.274 -2.400 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.453 -4.009 -1.163 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.670 -4.823 0.243 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 5.836 -3.068 -0.210 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 4.051 -3.889 1.186 1.00 0.00 C ATOM 1431 CH2 TRP A 93 5.124 -3.022 0.954 1.00 0.00 C ATOM 0 H TRP A 93 4.242 -7.581 0.168 1.00 0.00 H new ATOM 0 HA TRP A 93 2.821 -8.873 -2.069 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.180 -6.948 -3.475 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.278 -6.451 -2.057 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.452 -5.708 -3.955 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.767 -3.792 -2.825 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.840 -5.488 0.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.666 -2.399 -0.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.511 -3.827 2.119 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.395 -2.301 1.711 1.00 0.00 H new ATOM 1442 N LYS A 94 4.999 -9.623 -3.007 1.00 0.00 N ATOM 1443 CA LYS A 94 6.255 -10.071 -3.590 1.00 0.00 C ATOM 1444 C LYS A 94 6.481 -9.381 -4.930 1.00 0.00 C ATOM 1445 O LYS A 94 5.547 -9.206 -5.715 1.00 0.00 O ATOM 1446 CB LYS A 94 6.270 -11.596 -3.772 1.00 0.00 C ATOM 1447 CG LYS A 94 7.525 -12.109 -4.477 1.00 0.00 C ATOM 1448 CD LYS A 94 7.543 -13.630 -4.586 1.00 0.00 C ATOM 1449 CE LYS A 94 8.704 -14.121 -5.445 1.00 0.00 C ATOM 1450 NZ LYS A 94 10.026 -13.687 -4.915 1.00 0.00 N ATOM 0 H LYS A 94 4.179 -10.137 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 94 7.062 -9.805 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.190 -12.072 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.392 -11.895 -4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.583 -11.674 -5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.408 -11.775 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.618 -14.065 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.602 -13.975 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.677 -15.209 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.583 -13.748 -6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.777 -14.275 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.190 -12.691 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.037 -13.792 -3.880 1.00 0.00 H new ATOM 1464 N VAL A 95 7.722 -8.979 -5.173 1.00 0.00 N ATOM 1465 CA VAL A 95 8.110 -8.356 -6.432 1.00 0.00 C ATOM 1466 C VAL A 95 9.145 -9.230 -7.141 1.00 0.00 C ATOM 1467 O VAL A 95 9.294 -10.407 -6.804 1.00 0.00 O ATOM 1468 CB VAL A 95 8.669 -6.928 -6.203 1.00 0.00 C ATOM 1469 CG1 VAL A 95 7.579 -6.008 -5.652 1.00 0.00 C ATOM 1470 CG2 VAL A 95 9.884 -6.960 -5.271 1.00 0.00 C ATOM 0 H VAL A 95 8.486 -9.075 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 95 7.224 -8.266 -7.061 1.00 0.00 H new ATOM 0 HB VAL A 95 8.997 -6.530 -7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.989 -5.010 -5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.754 -5.955 -6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.216 -6.402 -4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.258 -5.947 -5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.593 -7.381 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.667 -7.575 -5.715 1.00 0.00 H new ATOM 1480 N ASP A 96 9.861 -8.653 -8.106 1.00 0.00 N ATOM 1481 CA ASP A 96 10.829 -9.403 -8.908 1.00 0.00 C ATOM 1482 C ASP A 96 11.879 -10.090 -8.029 1.00 0.00 C ATOM 1483 O ASP A 96 12.483 -11.081 -8.439 1.00 0.00 O ATOM 1484 CB ASP A 96 11.521 -8.483 -9.925 1.00 0.00 C ATOM 1485 CG ASP A 96 12.477 -7.493 -9.274 1.00 0.00 C ATOM 1486 OD1 ASP A 96 12.005 -6.472 -8.731 1.00 0.00 O ATOM 1487 OD2 ASP A 96 13.703 -7.738 -9.299 1.00 0.00 O ATOM 0 H ASP A 96 9.789 -7.666 -8.352 1.00 0.00 H new ATOM 0 HA ASP A 96 10.276 -10.175 -9.443 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.070 -9.092 -10.643 1.00 0.00 H new ATOM 0 HB3 ASP A 96 10.764 -7.934 -10.485 1.00 0.00 H new ATOM 1492 N ASN A 97 12.107 -9.551 -6.833 1.00 0.00 N ATOM 1493 CA ASN A 97 13.038 -10.161 -5.879 1.00 0.00 C ATOM 1494 C ASN A 97 12.310 -10.655 -4.622 1.00 0.00 C ATOM 1495 O ASN A 97 11.767 -11.761 -4.608 1.00 0.00 O ATOM 1496 CB ASN A 97 14.172 -9.187 -5.496 1.00 0.00 C ATOM 1497 CG ASN A 97 15.380 -9.247 -6.424 1.00 0.00 C ATOM 1498 OD1 ASN A 97 15.159 -9.516 -7.699 1.00 0.00 O flip ATOM 1499 ND2 ASN A 97 16.515 -9.034 -5.990 1.00 0.00 N flip ATOM 0 H ASN A 97 11.662 -8.696 -6.500 1.00 0.00 H new ATOM 0 HA ASN A 97 13.484 -11.024 -6.375 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.779 -8.170 -5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.497 -9.406 -4.479 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.652 -8.829 -5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 97 17.316 -9.063 -6.621 1.00 0.00 H new ATOM 1506 N ARG A 98 12.270 -9.820 -3.579 1.00 0.00 N ATOM 1507 CA ARG A 98 11.785 -10.251 -2.266 1.00 0.00 C ATOM 1508 C ARG A 98 10.298 -9.958 -2.085 1.00 0.00 C ATOM 1509 O ARG A 98 9.613 -9.521 -3.013 1.00 0.00 O ATOM 1510 CB ARG A 98 12.590 -9.574 -1.144 1.00 0.00 C ATOM 1511 CG ARG A 98 14.097 -9.794 -1.238 1.00 0.00 C ATOM 1512 CD ARG A 98 14.469 -11.271 -1.275 1.00 0.00 C ATOM 1513 NE ARG A 98 15.879 -11.456 -1.615 1.00 0.00 N ATOM 1514 CZ ARG A 98 16.449 -12.636 -1.860 1.00 0.00 C ATOM 1515 NH1 ARG A 98 15.770 -13.765 -1.692 1.00 0.00 N ATOM 1516 NH2 ARG A 98 17.713 -12.681 -2.254 1.00 0.00 N ATOM 0 H ARG A 98 12.567 -8.845 -3.619 1.00 0.00 H new ATOM 0 HA ARG A 98 11.924 -11.331 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.388 -8.503 -1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.238 -9.948 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 98 14.477 -9.304 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 98 14.584 -9.321 -0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.264 -11.724 -0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.846 -11.787 -2.006 1.00 0.00 H new ATOM 0 HE ARG A 98 16.467 -10.625 -1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.802 -13.735 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.217 -14.662 -1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.243 -11.817 -2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 98 18.156 -13.580 -2.443 1.00 0.00 H new ATOM 1530 N LYS A 99 9.815 -10.215 -0.872 1.00 0.00 N ATOM 1531 CA LYS A 99 8.417 -10.029 -0.516 1.00 0.00 C ATOM 1532 C LYS A 99 8.318 -9.127 0.715 1.00 0.00 C ATOM 1533 O LYS A 99 8.708 -9.523 1.814 1.00 0.00 O ATOM 1534 CB LYS A 99 7.787 -11.407 -0.246 1.00 0.00 C ATOM 1535 CG LYS A 99 6.303 -11.380 0.103 1.00 0.00 C ATOM 1536 CD LYS A 99 5.717 -12.791 0.163 1.00 0.00 C ATOM 1537 CE LYS A 99 6.405 -13.665 1.210 1.00 0.00 C ATOM 1538 NZ LYS A 99 5.869 -15.054 1.215 1.00 0.00 N ATOM 0 H LYS A 99 10.391 -10.561 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 99 7.877 -9.548 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.926 -12.032 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.328 -11.883 0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.163 -10.885 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.764 -10.792 -0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.652 -12.730 0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.809 -13.261 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.477 -13.691 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.272 -13.221 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.362 -15.614 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.851 -15.033 1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.018 -15.487 0.281 1.00 0.00 H new ATOM 1552 N PHE A 100 7.820 -7.908 0.520 1.00 0.00 N ATOM 1553 CA PHE A 100 7.739 -6.917 1.597 1.00 0.00 C ATOM 1554 C PHE A 100 6.337 -6.926 2.205 1.00 0.00 C ATOM 1555 O PHE A 100 5.402 -7.437 1.593 1.00 0.00 O ATOM 1556 CB PHE A 100 8.070 -5.517 1.059 1.00 0.00 C ATOM 1557 CG PHE A 100 9.294 -5.472 0.174 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.532 -5.902 0.640 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.205 -4.993 -1.130 1.00 0.00 C ATOM 1560 CE1 PHE A 100 11.648 -5.854 -0.174 1.00 0.00 C ATOM 1561 CE2 PHE A 100 10.319 -4.946 -1.943 1.00 0.00 C ATOM 1562 CZ PHE A 100 11.541 -5.376 -1.467 1.00 0.00 C ATOM 0 H PHE A 100 7.464 -7.579 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 100 8.465 -7.175 2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.214 -5.143 0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 100 8.218 -4.841 1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.622 -6.277 1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.253 -4.654 -1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.604 -6.190 0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 100 10.235 -4.572 -2.953 1.00 0.00 H new ATOM 0 HZ PHE A 100 12.413 -5.339 -2.104 1.00 0.00 H new ATOM 1572 N GLY A 101 6.192 -6.365 3.406 1.00 0.00 N ATOM 1573 CA GLY A 101 4.902 -6.374 4.085 1.00 0.00 C ATOM 1574 C GLY A 101 4.475 -4.998 4.562 1.00 0.00 C ATOM 1575 O GLY A 101 5.299 -4.216 5.041 1.00 0.00 O ATOM 0 H GLY A 101 6.943 -5.905 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.144 -6.770 3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.951 -7.050 4.939 1.00 0.00 H new ATOM 1579 N LEU A 102 3.186 -4.704 4.429 1.00 0.00 N ATOM 1580 CA LEU A 102 2.619 -3.439 4.890 1.00 0.00 C ATOM 1581 C LEU A 102 1.732 -3.703 6.111 1.00 0.00 C ATOM 1582 O LEU A 102 0.933 -4.643 6.117 1.00 0.00 O ATOM 1583 CB LEU A 102 1.814 -2.775 3.751 1.00 0.00 C ATOM 1584 CG LEU A 102 1.579 -1.251 3.870 1.00 0.00 C ATOM 1585 CD1 LEU A 102 1.018 -0.691 2.564 1.00 0.00 C ATOM 1586 CD2 LEU A 102 0.639 -0.911 5.026 1.00 0.00 C ATOM 0 H LEU A 102 2.506 -5.332 4.001 1.00 0.00 H new ATOM 0 HA LEU A 102 3.418 -2.756 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.330 -2.968 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.843 -3.266 3.688 1.00 0.00 H new ATOM 0 HG LEU A 102 2.545 -0.790 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.859 0.382 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.724 -0.877 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.070 -1.178 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.500 0.169 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.325 -1.394 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.071 -1.265 5.962 1.00 0.00 H new ATOM 1598 N THR A 103 1.896 -2.884 7.142 1.00 0.00 N ATOM 1599 CA THR A 103 1.122 -3.005 8.370 1.00 0.00 C ATOM 1600 C THR A 103 0.082 -1.888 8.469 1.00 0.00 C ATOM 1601 O THR A 103 0.430 -0.706 8.563 1.00 0.00 O ATOM 1602 CB THR A 103 2.050 -2.956 9.605 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.954 -4.066 9.569 1.00 0.00 O ATOM 1604 CG2 THR A 103 1.254 -2.983 10.908 1.00 0.00 C ATOM 0 H THR A 103 2.569 -2.118 7.150 1.00 0.00 H new ATOM 0 HA THR A 103 0.608 -3.966 8.346 1.00 0.00 H new ATOM 0 HB THR A 103 2.607 -2.020 9.572 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.064 -4.427 10.473 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.940 -2.947 11.754 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.587 -2.122 10.945 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.666 -3.899 10.956 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.191 -2.270 8.423 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.290 -1.328 8.604 1.00 0.00 C ATOM 1614 C PHE A 104 -2.482 -1.052 10.091 1.00 0.00 C ATOM 1615 O PHE A 104 -2.236 -1.933 10.922 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.583 -1.894 8.009 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.453 -2.346 6.575 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -2.939 -1.494 5.608 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -3.847 -3.622 6.195 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -2.825 -1.906 4.294 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -3.738 -4.035 4.884 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.224 -3.177 3.931 1.00 0.00 C ATOM 0 H PHE A 104 -1.488 -3.232 8.261 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.049 -0.399 8.088 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.912 -2.737 8.616 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.362 -1.134 8.070 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.625 -0.499 5.885 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.244 -4.300 6.936 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.424 -1.233 3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.054 -5.029 4.602 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.134 -3.500 2.904 1.00 0.00 H new ATOM 1632 N GLN A 105 -2.922 0.154 10.431 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.097 0.530 11.832 1.00 0.00 C ATOM 1634 C GLN A 105 -4.577 0.552 12.201 1.00 0.00 C ATOM 1635 O GLN A 105 -4.952 0.236 13.333 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.454 1.895 12.114 1.00 0.00 C ATOM 1637 CG GLN A 105 -2.391 2.241 13.601 1.00 0.00 C ATOM 1638 CD GLN A 105 -1.667 3.547 13.886 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -1.698 4.483 13.091 1.00 0.00 O ATOM 1640 NE2 GLN A 105 -1.007 3.616 15.030 1.00 0.00 N ATOM 0 H GLN A 105 -3.163 0.885 9.762 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.598 -0.217 12.449 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.444 1.904 11.703 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.018 2.668 11.592 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.405 2.303 13.996 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.890 1.433 14.134 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.004 2.818 15.666 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.501 4.467 15.277 1.00 0.00 H new ATOM 1649 N SER A 106 -5.415 0.917 11.236 1.00 0.00 N ATOM 1650 CA SER A 106 -6.857 0.981 11.442 1.00 0.00 C ATOM 1651 C SER A 106 -7.562 0.119 10.401 1.00 0.00 C ATOM 1652 O SER A 106 -7.081 -0.008 9.278 1.00 0.00 O ATOM 1653 CB SER A 106 -7.341 2.434 11.321 1.00 0.00 C ATOM 1654 OG SER A 106 -8.726 2.547 11.608 1.00 0.00 O ATOM 0 H SER A 106 -5.116 1.175 10.296 1.00 0.00 H new ATOM 0 HA SER A 106 -7.091 0.609 12.440 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.774 3.065 12.005 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.146 2.801 10.313 1.00 0.00 H new ATOM 0 HG SER A 106 -9.002 3.484 11.524 1.00 0.00 H new ATOM 1660 N PRO A 107 -8.710 -0.497 10.746 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.536 -1.202 9.762 1.00 0.00 C ATOM 1662 C PRO A 107 -10.005 -0.238 8.670 1.00 0.00 C ATOM 1663 O PRO A 107 -10.265 -0.638 7.532 1.00 0.00 O ATOM 1664 CB PRO A 107 -10.724 -1.736 10.586 1.00 0.00 C ATOM 1665 CG PRO A 107 -10.725 -0.926 11.840 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.287 -0.566 12.103 1.00 0.00 C ATOM 0 HA PRO A 107 -9.000 -2.000 9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.662 -1.623 10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.607 -2.798 10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.337 -0.031 11.726 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.143 -1.494 12.671 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.198 0.385 12.628 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.788 -1.317 12.716 1.00 0.00 H new ATOM 1674 N ALA A 108 -10.075 1.044 9.037 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.474 2.097 8.114 1.00 0.00 C ATOM 1676 C ALA A 108 -9.400 2.323 7.053 1.00 0.00 C ATOM 1677 O ALA A 108 -9.664 2.188 5.854 1.00 0.00 O ATOM 1678 CB ALA A 108 -10.756 3.386 8.877 1.00 0.00 C ATOM 0 H ALA A 108 -9.857 1.375 9.977 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.387 1.785 7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -11.053 4.166 8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.560 3.216 9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.857 3.699 9.408 1.00 0.00 H new ATOM 1684 N ASP A 109 -8.178 2.655 7.493 1.00 0.00 N ATOM 1685 CA ASP A 109 -7.080 2.898 6.557 1.00 0.00 C ATOM 1686 C ASP A 109 -6.718 1.612 5.822 1.00 0.00 C ATOM 1687 O ASP A 109 -6.348 1.645 4.648 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.840 3.537 7.236 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.233 2.745 8.396 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -4.895 1.557 8.226 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -5.053 3.341 9.481 1.00 0.00 O ATOM 0 H ASP A 109 -7.931 2.759 8.477 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.430 3.629 5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.070 3.683 6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.119 4.525 7.602 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.865 0.484 6.510 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.680 -0.828 5.901 1.00 0.00 C ATOM 1698 C ALA A 110 -7.573 -0.985 4.674 1.00 0.00 C ATOM 1699 O ALA A 110 -7.087 -1.172 3.558 1.00 0.00 O ATOM 1700 CB ALA A 110 -6.981 -1.931 6.912 1.00 0.00 C ATOM 0 H ALA A 110 -7.114 0.453 7.499 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.640 -0.913 5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.838 -2.904 6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.308 -1.837 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.012 -1.840 7.253 1.00 0.00 H new ATOM 1706 N ARG A 111 -8.885 -0.879 4.890 1.00 0.00 N ATOM 1707 CA ARG A 111 -9.857 -1.035 3.813 1.00 0.00 C ATOM 1708 C ARG A 111 -9.637 0.028 2.736 1.00 0.00 C ATOM 1709 O ARG A 111 -9.893 -0.207 1.552 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.287 -0.960 4.369 1.00 0.00 C ATOM 1711 CG ARG A 111 -12.372 -1.199 3.321 1.00 0.00 C ATOM 1712 CD ARG A 111 -13.756 -1.312 3.952 1.00 0.00 C ATOM 1713 NE ARG A 111 -13.846 -2.443 4.882 1.00 0.00 N ATOM 1714 CZ ARG A 111 -14.751 -3.422 4.793 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -15.665 -3.410 3.830 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -14.738 -4.412 5.678 1.00 0.00 N ATOM 0 H ARG A 111 -9.297 -0.686 5.803 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.718 -2.015 3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.396 -1.697 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.440 0.021 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -12.367 -0.381 2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.149 -2.112 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -13.990 -0.388 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -14.504 -1.428 3.167 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.173 -2.485 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -15.680 -2.649 3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -16.352 -4.161 3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -14.039 -4.423 6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -15.427 -5.162 5.615 1.00 0.00 H new ATOM 1730 N ALA A 112 -9.149 1.195 3.157 1.00 0.00 N ATOM 1731 CA ALA A 112 -8.801 2.264 2.227 1.00 0.00 C ATOM 1732 C ALA A 112 -7.683 1.811 1.287 1.00 0.00 C ATOM 1733 O ALA A 112 -7.731 2.067 0.079 1.00 0.00 O ATOM 1734 CB ALA A 112 -8.386 3.519 2.985 1.00 0.00 C ATOM 0 H ALA A 112 -8.986 1.422 4.138 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.681 2.500 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.130 4.305 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.211 3.853 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.520 3.298 3.609 1.00 0.00 H new ATOM 1740 N PHE A 113 -6.681 1.131 1.849 1.00 0.00 N ATOM 1741 CA PHE A 113 -5.579 0.590 1.058 1.00 0.00 C ATOM 1742 C PHE A 113 -6.078 -0.515 0.133 1.00 0.00 C ATOM 1743 O PHE A 113 -5.697 -0.564 -1.036 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.452 0.052 1.954 1.00 0.00 C ATOM 1745 CG PHE A 113 -3.538 1.119 2.514 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -2.637 1.775 1.688 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -3.570 1.455 3.859 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.786 2.741 2.193 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -2.723 2.420 4.369 1.00 0.00 C ATOM 1750 CZ PHE A 113 -1.830 3.064 3.535 1.00 0.00 C ATOM 0 H PHE A 113 -6.612 0.943 2.849 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.175 1.406 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.895 -0.501 2.782 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.855 -0.657 1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.600 1.528 0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.266 0.956 4.517 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.088 3.242 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -2.759 2.671 5.419 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.167 3.819 3.932 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.934 -1.396 0.657 1.00 0.00 N ATOM 1761 CA ASP A 114 -7.508 -2.483 -0.141 1.00 0.00 C ATOM 1762 C ASP A 114 -8.195 -1.925 -1.388 1.00 0.00 C ATOM 1763 O ASP A 114 -7.932 -2.368 -2.506 1.00 0.00 O ATOM 1764 CB ASP A 114 -8.514 -3.314 0.676 1.00 0.00 C ATOM 1765 CG ASP A 114 -7.856 -4.193 1.731 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -7.292 -5.245 1.366 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -7.937 -3.867 2.933 1.00 0.00 O ATOM 0 H ASP A 114 -7.245 -1.378 1.628 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.688 -3.136 -0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.219 -2.641 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.090 -3.943 -0.002 1.00 0.00 H new ATOM 1772 N ARG A 115 -9.071 -0.944 -1.184 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.779 -0.292 -2.289 1.00 0.00 C ATOM 1774 C ARG A 115 -8.788 0.368 -3.247 1.00 0.00 C ATOM 1775 O ARG A 115 -8.883 0.213 -4.471 1.00 0.00 O ATOM 1776 CB ARG A 115 -10.757 0.761 -1.742 1.00 0.00 C ATOM 1777 CG ARG A 115 -11.933 0.185 -0.952 1.00 0.00 C ATOM 1778 CD ARG A 115 -13.012 -0.408 -1.860 1.00 0.00 C ATOM 1779 NE ARG A 115 -12.564 -1.610 -2.572 1.00 0.00 N ATOM 1780 CZ ARG A 115 -12.798 -1.852 -3.866 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -13.402 -0.941 -4.622 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -12.416 -3.002 -4.403 1.00 0.00 N ATOM 0 H ARG A 115 -9.310 -0.580 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.339 -1.051 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -10.208 1.450 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -11.147 1.344 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.568 -0.587 -0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -12.372 0.969 -0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -13.889 -0.653 -1.261 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -13.322 0.344 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 115 -12.039 -2.308 -2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -13.690 -0.051 -4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -13.577 -1.132 -5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.944 -3.701 -3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -12.594 -3.188 -5.390 1.00 0.00 H new ATOM 1796 N GLY A 116 -7.825 1.086 -2.670 1.00 0.00 N ATOM 1797 CA GLY A 116 -6.846 1.812 -3.458 1.00 0.00 C ATOM 1798 C GLY A 116 -6.029 0.903 -4.355 1.00 0.00 C ATOM 1799 O GLY A 116 -5.929 1.137 -5.561 1.00 0.00 O ATOM 0 H GLY A 116 -7.707 1.177 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.357 2.556 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.177 2.354 -2.790 1.00 0.00 H new ATOM 1803 N VAL A 117 -5.459 -0.148 -3.772 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.619 -1.075 -4.519 1.00 0.00 C ATOM 1805 C VAL A 117 -5.454 -1.874 -5.514 1.00 0.00 C ATOM 1806 O VAL A 117 -4.974 -2.222 -6.592 1.00 0.00 O ATOM 1807 CB VAL A 117 -3.838 -2.044 -3.594 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -4.782 -3.000 -2.866 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -2.784 -2.812 -4.394 1.00 0.00 C ATOM 0 H VAL A 117 -5.565 -0.378 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.888 -0.471 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.328 -1.451 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.203 -3.666 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.481 -2.427 -2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.336 -3.590 -3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.245 -3.488 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.272 -3.388 -5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.083 -2.108 -4.842 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.707 -2.159 -5.157 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.624 -2.822 -6.077 1.00 0.00 C ATOM 1821 C ARG A 118 -7.738 -2.022 -7.368 1.00 0.00 C ATOM 1822 O ARG A 118 -7.460 -2.537 -8.454 1.00 0.00 O ATOM 1823 CB ARG A 118 -9.016 -3.006 -5.450 1.00 0.00 C ATOM 1824 CG ARG A 118 -9.150 -4.258 -4.592 1.00 0.00 C ATOM 1825 CD ARG A 118 -8.875 -5.525 -5.399 1.00 0.00 C ATOM 1826 NE ARG A 118 -9.653 -5.569 -6.643 1.00 0.00 N ATOM 1827 CZ ARG A 118 -9.852 -6.670 -7.366 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -9.378 -7.840 -6.950 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -10.533 -6.596 -8.503 1.00 0.00 N ATOM 0 H ARG A 118 -7.105 -1.942 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 118 -7.220 -3.810 -6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.246 -2.133 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.760 -3.043 -6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.455 -4.202 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -10.154 -4.305 -4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.812 -5.580 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.113 -6.399 -4.793 1.00 0.00 H new ATOM 0 HE ARG A 118 -10.069 -4.699 -6.976 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.859 -7.898 -6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -9.533 -8.680 -7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -10.901 -5.699 -8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -10.688 -7.436 -9.060 1.00 0.00 H new ATOM 1843 N LYS A 119 -8.130 -0.755 -7.242 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.266 0.105 -8.408 1.00 0.00 C ATOM 1845 C LYS A 119 -6.912 0.307 -9.080 1.00 0.00 C ATOM 1846 O LYS A 119 -6.839 0.440 -10.295 1.00 0.00 O ATOM 1847 CB LYS A 119 -8.882 1.466 -8.050 1.00 0.00 C ATOM 1848 CG LYS A 119 -9.091 2.356 -9.274 1.00 0.00 C ATOM 1849 CD LYS A 119 -9.769 3.682 -8.945 1.00 0.00 C ATOM 1850 CE LYS A 119 -10.005 4.503 -10.210 1.00 0.00 C ATOM 1851 NZ LYS A 119 -10.689 5.791 -9.931 1.00 0.00 N ATOM 0 H LYS A 119 -8.356 -0.308 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.943 -0.394 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.839 1.308 -7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -8.234 1.978 -7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.126 2.555 -9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.694 1.819 -10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.720 3.495 -8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.150 4.249 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.049 4.700 -10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.604 3.921 -10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.826 6.311 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -11.614 5.605 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -10.107 6.360 -9.284 1.00 0.00 H new ATOM 1865 N ALA A 120 -5.843 0.313 -8.284 1.00 0.00 N ATOM 1866 CA ALA A 120 -4.490 0.494 -8.808 1.00 0.00 C ATOM 1867 C ALA A 120 -4.106 -0.644 -9.756 1.00 0.00 C ATOM 1868 O ALA A 120 -3.654 -0.401 -10.875 1.00 0.00 O ATOM 1869 CB ALA A 120 -3.483 0.600 -7.666 1.00 0.00 C ATOM 0 H ALA A 120 -5.888 0.194 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.473 1.424 -9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.482 0.734 -8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.735 1.453 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.512 -0.312 -7.070 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.300 -1.882 -9.308 1.00 0.00 N ATOM 1876 CA ILE A 121 -3.969 -3.053 -10.118 1.00 0.00 C ATOM 1877 C ILE A 121 -4.883 -3.129 -11.340 1.00 0.00 C ATOM 1878 O ILE A 121 -4.443 -3.460 -12.445 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.076 -4.364 -9.295 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.116 -4.319 -8.093 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -3.785 -5.585 -10.175 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -3.186 -5.540 -7.199 1.00 0.00 C ATOM 0 H ILE A 121 -4.685 -2.101 -8.389 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.936 -2.945 -10.447 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.096 -4.454 -8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -2.096 -4.209 -8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.337 -3.433 -7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.866 -6.492 -9.577 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.505 -5.624 -10.993 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.777 -5.508 -10.583 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -2.479 -5.430 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.195 -5.641 -6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -2.934 -6.429 -7.777 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.156 -2.800 -11.137 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.124 -2.770 -12.230 1.00 0.00 C ATOM 1896 C GLU A 122 -6.787 -1.640 -13.208 1.00 0.00 C ATOM 1897 O GLU A 122 -6.965 -1.778 -14.420 1.00 0.00 O ATOM 1898 CB GLU A 122 -8.550 -2.621 -11.676 1.00 0.00 C ATOM 1899 CG GLU A 122 -8.996 -3.817 -10.834 1.00 0.00 C ATOM 1900 CD GLU A 122 -10.401 -3.676 -10.271 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -11.346 -3.469 -11.061 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -10.574 -3.781 -9.034 1.00 0.00 O ATOM 0 H GLU A 122 -6.541 -2.550 -10.226 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.072 -3.713 -12.775 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.605 -1.717 -11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.244 -2.490 -12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -8.947 -4.719 -11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -8.295 -3.952 -10.010 1.00 0.00 H new ATOM 1909 N ASP A 123 -6.266 -0.537 -12.672 1.00 0.00 N ATOM 1910 CA ASP A 123 -5.864 0.617 -13.482 1.00 0.00 C ATOM 1911 C ASP A 123 -4.497 0.360 -14.116 1.00 0.00 C ATOM 1912 O ASP A 123 -4.089 1.044 -15.058 1.00 0.00 O ATOM 1913 CB ASP A 123 -5.839 1.893 -12.623 1.00 0.00 C ATOM 1914 CG ASP A 123 -5.460 3.145 -13.403 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -6.243 3.579 -14.273 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -4.390 3.719 -13.126 1.00 0.00 O ATOM 0 H ASP A 123 -6.111 -0.416 -11.671 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.593 0.761 -14.279 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.822 2.038 -12.174 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.132 1.757 -11.805 1.00 0.00 H new ATOM 1921 N LEU A 124 -3.783 -0.626 -13.575 1.00 0.00 N ATOM 1922 CA LEU A 124 -2.559 -1.121 -14.198 1.00 0.00 C ATOM 1923 C LEU A 124 -2.907 -1.896 -15.462 1.00 0.00 C ATOM 1924 O LEU A 124 -2.474 -1.548 -16.562 1.00 0.00 O ATOM 1925 CB LEU A 124 -1.775 -2.037 -13.233 1.00 0.00 C ATOM 1926 CG LEU A 124 -0.731 -1.341 -12.347 1.00 0.00 C ATOM 1927 CD1 LEU A 124 -0.180 -2.304 -11.296 1.00 0.00 C ATOM 1928 CD2 LEU A 124 0.403 -0.775 -13.202 1.00 0.00 C ATOM 0 H LEU A 124 -4.032 -1.098 -12.706 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.932 -0.265 -14.447 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.489 -2.548 -12.587 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.271 -2.805 -13.820 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.220 -0.516 -11.828 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.557 -1.788 -10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.995 -2.659 -10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.291 -3.153 -11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.134 -0.285 -12.559 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.886 -1.585 -13.749 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.001 -0.051 -13.909 1.00 0.00 H new ATOM 1940 N ILE A 125 -3.711 -2.944 -15.290 1.00 0.00 N ATOM 1941 CA ILE A 125 -4.084 -3.829 -16.389 1.00 0.00 C ATOM 1942 C ILE A 125 -4.995 -3.110 -17.390 1.00 0.00 C ATOM 1943 O ILE A 125 -5.063 -3.488 -18.565 1.00 0.00 O ATOM 1944 CB ILE A 125 -4.774 -5.121 -15.862 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -4.916 -6.166 -16.983 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -6.138 -4.804 -15.247 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -3.590 -6.639 -17.550 1.00 0.00 C ATOM 0 H ILE A 125 -4.119 -3.201 -14.391 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.167 -4.117 -16.903 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.139 -5.541 -15.082 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -5.464 -7.026 -16.598 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.515 -5.742 -17.789 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.598 -5.724 -14.887 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.010 -4.113 -14.414 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.780 -4.349 -16.001 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.771 -7.374 -18.335 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.049 -5.790 -17.966 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.997 -7.094 -16.757 1.00 0.00 H new ATOM 1959 N GLU A 126 -5.689 -2.071 -16.922 1.00 0.00 N ATOM 1960 CA GLU A 126 -6.537 -1.258 -17.786 1.00 0.00 C ATOM 1961 C GLU A 126 -6.602 0.180 -17.261 1.00 0.00 C ATOM 1962 O GLU A 126 -5.783 1.010 -17.713 1.00 0.00 O ATOM 1963 CB GLU A 126 -7.942 -1.868 -17.888 1.00 0.00 C ATOM 1964 CG GLU A 126 -8.865 -1.133 -18.854 1.00 0.00 C ATOM 1965 CD GLU A 126 -10.212 -1.814 -18.996 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -10.308 -2.790 -19.771 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -11.177 -1.386 -18.328 1.00 0.00 O ATOM 1968 OXT GLU A 126 -7.457 0.472 -16.398 1.00 0.00 O ATOM 0 H GLU A 126 -5.678 -1.775 -15.946 1.00 0.00 H new ATOM 0 HA GLU A 126 -6.104 -1.239 -18.786 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.854 -2.907 -18.204 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -8.398 -1.873 -16.898 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -9.012 -0.111 -18.505 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -8.388 -1.070 -19.832 1.00 0.00 H new