USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 MET CE :methyl -164:sc= 0 (180deg=-0.468) USER MOD Set 1.2: A 103 THR OG1 : rot -170:sc= -0.0637 USER MOD Set 2.1: A 28 SER OG : rot 9:sc= 1.23 USER MOD Set 2.2: A 99 LYS NZ :NH3+ 169:sc= 2.2 (180deg=1.12) USER MOD Set 3.1: A 14 TYR OH : rot -10:sc= 0.831 USER MOD Set 3.2: A 62 HIS :FLIP no HD1:sc= -0.291 F(o=-0.51,f=0.54) USER MOD Set 4.1: A 19 LYS NZ :NH3+ -115:sc= -0.377! (180deg=-5.33!) USER MOD Set 4.2: A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 25:sc= 0.119 USER MOD Single : A 24 THR OG1 : rot -42:sc= 0.175 USER MOD Single : A 29 SER OG : rot 171:sc= 0.423 USER MOD Single : A 35 GLN : amide:sc= -4.85! C(o=-4.9!,f=-5.8!) USER MOD Single : A 41 SER OG : rot -93:sc= 0.334 USER MOD Single : A 46 CYS SG : rot 180:sc= -4.88! USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0377) USER MOD Single : A 49 MET CE :methyl 138:sc= -0.148 (180deg=-0.93) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.552 F(o=-1.4,f=-0.55) 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 -151:sc= -1.25! USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0114 USER MOD Single : A 79 LYS NZ :NH3+ -117:sc= 1.24 (180deg=0.631) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.305 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -115:sc= 0.935 (180deg=0.083) USER MOD Single : A 87 ASN : amide:sc= 0.0168 X(o=0.017,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -3.29! C(o=-3.3!,f=-5.6!) USER MOD Single : A 92 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-0.73) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.014 F(o=-1,f=-0.014) USER MOD Single : A 119 LYS NZ :NH3+ -140:sc= 2.43 (180deg=-0.431) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 0.564 12.688 -8.096 1.00 0.00 N ATOM 164 CA SER A 13 0.076 11.433 -8.667 1.00 0.00 C ATOM 165 C SER A 13 -0.293 10.434 -7.566 1.00 0.00 C ATOM 166 O SER A 13 -0.718 9.311 -7.854 1.00 0.00 O ATOM 167 CB SER A 13 1.132 10.829 -9.598 1.00 0.00 C ATOM 168 OG SER A 13 1.540 11.762 -10.588 1.00 0.00 O ATOM 0 HA SER A 13 -0.823 11.650 -9.244 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.997 10.513 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.729 9.938 -10.079 1.00 0.00 H new ATOM 0 HG SER A 13 1.388 12.673 -10.261 1.00 0.00 H new ATOM 174 N TYR A 14 -0.114 10.839 -6.307 1.00 0.00 N ATOM 175 CA TYR A 14 -0.489 9.996 -5.172 1.00 0.00 C ATOM 176 C TYR A 14 -1.991 9.737 -5.172 1.00 0.00 C ATOM 177 O TYR A 14 -2.790 10.656 -4.985 1.00 0.00 O ATOM 178 CB TYR A 14 -0.083 10.635 -3.834 1.00 0.00 C ATOM 179 CG TYR A 14 1.407 10.601 -3.546 1.00 0.00 C ATOM 180 CD1 TYR A 14 2.037 9.419 -3.166 1.00 0.00 C ATOM 181 CD2 TYR A 14 2.178 11.751 -3.634 1.00 0.00 C ATOM 182 CE1 TYR A 14 3.390 9.392 -2.883 1.00 0.00 C ATOM 183 CE2 TYR A 14 3.528 11.730 -3.358 1.00 0.00 C ATOM 184 CZ TYR A 14 4.131 10.552 -2.983 1.00 0.00 C ATOM 185 OH TYR A 14 5.478 10.536 -2.702 1.00 0.00 O ATOM 0 H TYR A 14 0.286 11.741 -6.049 1.00 0.00 H new ATOM 0 HA TYR A 14 0.045 9.052 -5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.418 11.672 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.608 10.123 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.460 8.509 -3.091 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.711 12.681 -3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.864 8.468 -2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.111 12.636 -3.436 1.00 0.00 H new ATOM 0 HH TYR A 14 5.717 9.677 -2.296 1.00 0.00 H new ATOM 195 N ILE A 15 -2.369 8.487 -5.404 1.00 0.00 N ATOM 196 CA ILE A 15 -3.764 8.082 -5.324 1.00 0.00 C ATOM 197 C ILE A 15 -4.208 8.099 -3.865 1.00 0.00 C ATOM 198 O ILE A 15 -5.246 8.672 -3.519 1.00 0.00 O ATOM 199 CB ILE A 15 -3.981 6.666 -5.919 1.00 0.00 C ATOM 200 CG1 ILE A 15 -3.517 6.626 -7.386 1.00 0.00 C ATOM 201 CG2 ILE A 15 -5.448 6.249 -5.801 1.00 0.00 C ATOM 202 CD1 ILE A 15 -3.667 5.269 -8.045 1.00 0.00 C ATOM 0 H ILE A 15 -1.726 7.734 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.359 8.784 -5.908 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.382 5.955 -5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.086 7.360 -7.956 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.471 6.928 -7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.578 5.253 -6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.740 6.238 -4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.073 6.958 -6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.318 5.325 -9.076 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.075 4.533 -7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.716 4.972 -8.032 1.00 0.00 H new ATOM 214 N VAL A 16 -3.394 7.478 -3.010 1.00 0.00 N ATOM 215 CA VAL A 16 -3.654 7.423 -1.574 1.00 0.00 C ATOM 216 C VAL A 16 -2.342 7.496 -0.789 1.00 0.00 C ATOM 217 O VAL A 16 -1.577 6.526 -0.758 1.00 0.00 O ATOM 218 CB VAL A 16 -4.404 6.119 -1.162 1.00 0.00 C ATOM 219 CG1 VAL A 16 -4.637 6.079 0.351 1.00 0.00 C ATOM 220 CG2 VAL A 16 -5.730 5.972 -1.909 1.00 0.00 C ATOM 0 H VAL A 16 -2.539 7.001 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.286 8.279 -1.339 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.769 5.278 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.162 5.160 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.678 6.110 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.238 6.938 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.224 5.052 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.372 6.824 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.541 5.935 -2.982 1.00 0.00 H new ATOM 230 N ARG A 17 -2.061 8.655 -0.193 1.00 0.00 N ATOM 231 CA ARG A 17 -0.961 8.774 0.763 1.00 0.00 C ATOM 232 C ARG A 17 -1.539 8.766 2.181 1.00 0.00 C ATOM 233 O ARG A 17 -2.263 9.686 2.576 1.00 0.00 O ATOM 234 CB ARG A 17 -0.121 10.046 0.506 1.00 0.00 C ATOM 235 CG ARG A 17 -0.863 11.362 0.734 1.00 0.00 C ATOM 236 CD ARG A 17 0.053 12.574 0.593 1.00 0.00 C ATOM 237 NE ARG A 17 -0.555 13.781 1.161 1.00 0.00 N ATOM 238 CZ ARG A 17 -0.173 15.028 0.879 1.00 0.00 C ATOM 239 NH1 ARG A 17 0.778 15.259 -0.014 1.00 0.00 N ATOM 240 NH2 ARG A 17 -0.753 16.049 1.491 1.00 0.00 N ATOM 0 H ARG A 17 -2.577 9.520 -0.354 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.286 7.927 0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.755 10.023 1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.242 10.023 -0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.682 11.443 0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.307 11.359 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.001 12.374 1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.277 12.740 -0.461 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.325 13.659 1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.227 14.479 -0.494 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.061 16.217 -0.221 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.490 15.881 2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.463 17.003 1.277 1.00 0.00 H new ATOM 254 N VAL A 18 -1.249 7.715 2.940 1.00 0.00 N ATOM 255 CA VAL A 18 -1.878 7.521 4.241 1.00 0.00 C ATOM 256 C VAL A 18 -0.903 6.906 5.251 1.00 0.00 C ATOM 257 O VAL A 18 0.093 6.280 4.877 1.00 0.00 O ATOM 258 CB VAL A 18 -3.140 6.623 4.107 1.00 0.00 C ATOM 259 CG1 VAL A 18 -2.760 5.182 3.763 1.00 0.00 C ATOM 260 CG2 VAL A 18 -3.999 6.682 5.368 1.00 0.00 C ATOM 0 H VAL A 18 -0.585 6.987 2.678 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.175 8.502 4.612 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.737 7.014 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.663 4.578 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.219 5.164 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.126 4.775 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.874 6.044 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.416 6.336 6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.321 7.709 5.541 1.00 0.00 H new ATOM 270 N LYS A 19 -1.196 7.116 6.529 1.00 0.00 N ATOM 271 CA LYS A 19 -0.406 6.567 7.625 1.00 0.00 C ATOM 272 C LYS A 19 -0.590 5.050 7.705 1.00 0.00 C ATOM 273 O LYS A 19 -1.718 4.569 7.838 1.00 0.00 O ATOM 274 CB LYS A 19 -0.837 7.248 8.940 1.00 0.00 C ATOM 275 CG LYS A 19 -0.151 6.739 10.215 1.00 0.00 C ATOM 276 CD LYS A 19 -0.761 5.442 10.774 1.00 0.00 C ATOM 277 CE LYS A 19 -2.238 5.586 11.155 1.00 0.00 C ATOM 278 NZ LYS A 19 -3.137 5.585 9.969 1.00 0.00 N ATOM 0 H LYS A 19 -1.992 7.675 6.836 1.00 0.00 H new ATOM 0 HA LYS A 19 0.652 6.762 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.648 8.318 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.914 7.123 9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.906 6.572 10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.206 7.514 10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.659 4.651 10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.195 5.130 11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.519 4.770 11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.377 6.513 11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.603 6.511 9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.579 5.400 9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.858 4.843 10.080 1.00 0.00 H new ATOM 292 N ALA A 20 0.517 4.312 7.656 1.00 0.00 N ATOM 293 CA ALA A 20 0.491 2.852 7.735 1.00 0.00 C ATOM 294 C ALA A 20 1.789 2.330 8.359 1.00 0.00 C ATOM 295 O ALA A 20 2.570 3.101 8.926 1.00 0.00 O ATOM 296 CB ALA A 20 0.278 2.252 6.345 1.00 0.00 C ATOM 0 H ALA A 20 1.453 4.706 7.561 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.340 2.548 8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.261 1.165 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.670 2.604 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.091 2.559 5.688 1.00 0.00 H new ATOM 302 N VAL A 21 2.003 1.017 8.279 1.00 0.00 N ATOM 303 CA VAL A 21 3.236 0.400 8.767 1.00 0.00 C ATOM 304 C VAL A 21 3.904 -0.393 7.653 1.00 0.00 C ATOM 305 O VAL A 21 3.234 -1.089 6.887 1.00 0.00 O ATOM 306 CB VAL A 21 2.979 -0.556 9.960 1.00 0.00 C ATOM 307 CG1 VAL A 21 4.299 -1.113 10.498 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.190 0.144 11.063 1.00 0.00 C ATOM 0 H VAL A 21 1.335 0.358 7.879 1.00 0.00 H new ATOM 0 HA VAL A 21 3.882 1.211 9.103 1.00 0.00 H new ATOM 0 HB VAL A 21 2.378 -1.392 9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.098 -1.782 11.335 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.810 -1.664 9.708 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.931 -0.291 10.834 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.024 -0.549 11.887 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.752 1.006 11.422 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.230 0.476 10.669 1.00 0.00 H new ATOM 318 N VAL A 22 5.224 -0.290 7.569 1.00 0.00 N ATOM 319 CA VAL A 22 5.997 -1.038 6.587 1.00 0.00 C ATOM 320 C VAL A 22 6.759 -2.183 7.262 1.00 0.00 C ATOM 321 O VAL A 22 7.358 -2.005 8.324 1.00 0.00 O ATOM 322 CB VAL A 22 6.986 -0.120 5.818 1.00 0.00 C ATOM 323 CG1 VAL A 22 6.228 0.850 4.913 1.00 0.00 C ATOM 324 CG2 VAL A 22 7.888 0.646 6.787 1.00 0.00 C ATOM 0 H VAL A 22 5.785 0.309 8.174 1.00 0.00 H new ATOM 0 HA VAL A 22 5.294 -1.454 5.865 1.00 0.00 H new ATOM 0 HB VAL A 22 7.617 -0.753 5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.939 1.484 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.636 0.287 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.568 1.472 5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.571 1.281 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.275 1.264 7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.461 -0.061 7.386 1.00 0.00 H new ATOM 334 N MET A 23 6.716 -3.356 6.636 1.00 0.00 N ATOM 335 CA MET A 23 7.406 -4.550 7.128 1.00 0.00 C ATOM 336 C MET A 23 8.342 -5.066 6.038 1.00 0.00 C ATOM 337 O MET A 23 8.037 -4.936 4.855 1.00 0.00 O ATOM 338 CB MET A 23 6.391 -5.650 7.489 1.00 0.00 C ATOM 339 CG MET A 23 5.395 -5.266 8.578 1.00 0.00 C ATOM 340 SD MET A 23 6.165 -5.061 10.194 1.00 0.00 S ATOM 341 CE MET A 23 4.729 -4.744 11.221 1.00 0.00 C ATOM 0 H MET A 23 6.200 -3.508 5.769 1.00 0.00 H new ATOM 0 HA MET A 23 7.973 -4.290 8.022 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.838 -5.924 6.590 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.936 -6.537 7.811 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.898 -4.337 8.298 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.623 -6.033 8.644 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.049 -4.321 12.173 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.068 -4.040 10.715 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.196 -5.678 11.399 1.00 0.00 H new ATOM 351 N THR A 24 9.484 -5.629 6.417 1.00 0.00 N ATOM 352 CA THR A 24 10.398 -6.201 5.426 1.00 0.00 C ATOM 353 C THR A 24 10.802 -7.631 5.791 1.00 0.00 C ATOM 354 O THR A 24 11.485 -8.303 5.014 1.00 0.00 O ATOM 355 CB THR A 24 11.664 -5.324 5.249 1.00 0.00 C ATOM 356 OG1 THR A 24 12.365 -5.699 4.050 1.00 0.00 O ATOM 357 CG2 THR A 24 12.603 -5.451 6.439 1.00 0.00 C ATOM 0 H THR A 24 9.798 -5.703 7.385 1.00 0.00 H new ATOM 0 HA THR A 24 9.858 -6.227 4.479 1.00 0.00 H new ATOM 0 HB THR A 24 11.336 -4.287 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.384 -6.676 3.974 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.479 -4.822 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.087 -5.132 7.345 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.916 -6.490 6.546 1.00 0.00 H new ATOM 365 N ARG A 25 10.388 -8.086 6.982 1.00 0.00 N ATOM 366 CA ARG A 25 10.680 -9.450 7.451 1.00 0.00 C ATOM 367 C ARG A 25 12.185 -9.740 7.398 1.00 0.00 C ATOM 368 O ARG A 25 12.613 -10.895 7.324 1.00 0.00 O ATOM 369 CB ARG A 25 9.899 -10.476 6.608 1.00 0.00 C ATOM 370 CG ARG A 25 9.910 -11.895 7.172 1.00 0.00 C ATOM 371 CD ARG A 25 9.166 -12.869 6.268 1.00 0.00 C ATOM 372 NE ARG A 25 9.148 -14.224 6.818 1.00 0.00 N ATOM 373 CZ ARG A 25 8.918 -15.323 6.100 1.00 0.00 C ATOM 374 NH1 ARG A 25 8.700 -15.237 4.792 1.00 0.00 N ATOM 375 NH2 ARG A 25 8.911 -16.509 6.691 1.00 0.00 N ATOM 0 H ARG A 25 9.847 -7.527 7.642 1.00 0.00 H new ATOM 0 HA ARG A 25 10.362 -9.533 8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.865 -10.142 6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.317 -10.495 5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.940 -12.229 7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.453 -11.896 8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.143 -12.522 6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.637 -12.883 5.285 1.00 0.00 H new ATOM 0 HE ARG A 25 9.323 -14.335 7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.708 -14.326 4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.525 -16.082 4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.081 -16.580 7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.735 -17.351 6.143 1.00 0.00 H new ATOM 389 N ASP A 26 12.978 -8.671 7.455 1.00 0.00 N ATOM 390 CA ASP A 26 14.436 -8.763 7.357 1.00 0.00 C ATOM 391 C ASP A 26 14.830 -9.519 6.080 1.00 0.00 C ATOM 392 O ASP A 26 15.696 -10.399 6.091 1.00 0.00 O ATOM 393 CB ASP A 26 15.012 -9.432 8.616 1.00 0.00 C ATOM 394 CG ASP A 26 16.530 -9.382 8.671 1.00 0.00 C ATOM 395 OD1 ASP A 26 17.101 -8.275 8.576 1.00 0.00 O ATOM 396 OD2 ASP A 26 17.163 -10.445 8.833 1.00 0.00 O ATOM 0 H ASP A 26 12.630 -7.719 7.570 1.00 0.00 H new ATOM 0 HA ASP A 26 14.859 -7.760 7.294 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.605 -8.941 9.500 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.686 -10.472 8.650 1.00 0.00 H new ATOM 401 N ASP A 27 14.165 -9.144 4.981 1.00 0.00 N ATOM 402 CA ASP A 27 14.362 -9.748 3.656 1.00 0.00 C ATOM 403 C ASP A 27 13.749 -11.145 3.605 1.00 0.00 C ATOM 404 O ASP A 27 12.764 -11.375 2.907 1.00 0.00 O ATOM 405 CB ASP A 27 15.850 -9.800 3.255 1.00 0.00 C ATOM 406 CG ASP A 27 16.525 -8.436 3.305 1.00 0.00 C ATOM 407 OD1 ASP A 27 16.012 -7.481 2.677 1.00 0.00 O ATOM 408 OD2 ASP A 27 17.570 -8.307 3.976 1.00 0.00 O ATOM 0 H ASP A 27 13.465 -8.402 4.986 1.00 0.00 H new ATOM 0 HA ASP A 27 13.852 -9.110 2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.376 -10.485 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.935 -10.205 2.247 1.00 0.00 H new ATOM 413 N SER A 28 14.344 -12.076 4.340 1.00 0.00 N ATOM 414 CA SER A 28 13.830 -13.437 4.454 1.00 0.00 C ATOM 415 C SER A 28 14.256 -14.040 5.788 1.00 0.00 C ATOM 416 O SER A 28 15.314 -14.664 5.892 1.00 0.00 O ATOM 417 CB SER A 28 14.314 -14.314 3.289 1.00 0.00 C ATOM 418 OG SER A 28 13.755 -13.891 2.054 1.00 0.00 O ATOM 0 H SER A 28 15.197 -11.910 4.874 1.00 0.00 H new ATOM 0 HA SER A 28 12.742 -13.398 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.402 -14.275 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.042 -15.353 3.476 1.00 0.00 H new ATOM 0 HG SER A 28 13.281 -13.043 2.183 1.00 0.00 H new ATOM 424 N SER A 29 13.445 -13.815 6.811 1.00 0.00 N ATOM 425 CA SER A 29 13.714 -14.328 8.145 1.00 0.00 C ATOM 426 C SER A 29 12.410 -14.802 8.790 1.00 0.00 C ATOM 427 O SER A 29 11.436 -15.074 8.083 1.00 0.00 O ATOM 428 CB SER A 29 14.397 -13.238 8.983 1.00 0.00 C ATOM 429 OG SER A 29 15.625 -12.842 8.388 1.00 0.00 O ATOM 0 H SER A 29 12.584 -13.273 6.740 1.00 0.00 H new ATOM 0 HA SER A 29 14.387 -15.184 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.737 -12.376 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 29 14.579 -13.609 9.992 1.00 0.00 H new ATOM 0 HG SER A 29 15.977 -12.056 8.856 1.00 0.00 H new ATOM 435 N GLY A 30 12.398 -14.921 10.116 1.00 0.00 N ATOM 436 CA GLY A 30 11.225 -15.414 10.818 1.00 0.00 C ATOM 437 C GLY A 30 10.000 -14.532 10.636 1.00 0.00 C ATOM 438 O GLY A 30 9.225 -14.713 9.692 1.00 0.00 O ATOM 0 H GLY A 30 13.185 -14.683 10.719 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.995 -16.420 10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.453 -15.493 11.881 1.00 0.00 H new ATOM 442 N GLY A 31 9.837 -13.563 11.531 1.00 0.00 N ATOM 443 CA GLY A 31 8.640 -12.740 11.547 1.00 0.00 C ATOM 444 C GLY A 31 8.820 -11.420 10.827 1.00 0.00 C ATOM 445 O GLY A 31 9.909 -11.102 10.347 1.00 0.00 O ATOM 0 H GLY A 31 10.520 -13.331 12.253 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.821 -13.291 11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.352 -12.548 12.580 1.00 0.00 H new ATOM 449 N TRP A 32 7.739 -10.650 10.754 1.00 0.00 N ATOM 450 CA TRP A 32 7.746 -9.354 10.088 1.00 0.00 C ATOM 451 C TRP A 32 7.943 -8.245 11.116 1.00 0.00 C ATOM 452 O TRP A 32 7.091 -8.037 11.983 1.00 0.00 O ATOM 453 CB TRP A 32 6.427 -9.138 9.327 1.00 0.00 C ATOM 454 CG TRP A 32 6.099 -10.253 8.374 1.00 0.00 C ATOM 455 CD1 TRP A 32 5.625 -11.497 8.693 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.212 -10.223 6.948 1.00 0.00 C ATOM 457 NE1 TRP A 32 5.447 -12.239 7.553 1.00 0.00 N ATOM 458 CE2 TRP A 32 5.799 -11.480 6.470 1.00 0.00 C ATOM 459 CE3 TRP A 32 6.626 -9.255 6.027 1.00 0.00 C ATOM 460 CZ2 TRP A 32 5.786 -11.794 5.116 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.612 -9.569 4.682 1.00 0.00 C ATOM 462 CH2 TRP A 32 6.194 -10.830 4.238 1.00 0.00 C ATOM 0 H TRP A 32 6.836 -10.907 11.154 1.00 0.00 H new ATOM 0 HA TRP A 32 8.569 -9.330 9.374 1.00 0.00 H new ATOM 0 HB2 TRP A 32 5.614 -9.033 10.046 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.485 -8.201 8.773 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.421 -11.844 9.695 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.107 -13.200 7.518 1.00 0.00 H new ATOM 0 HE3 TRP A 32 6.950 -8.281 6.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 5.465 -12.765 4.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.929 -8.830 3.961 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.194 -11.045 3.180 1.00 0.00 H new ATOM 473 N PHE A 33 9.077 -7.556 11.039 1.00 0.00 N ATOM 474 CA PHE A 33 9.368 -6.461 11.957 1.00 0.00 C ATOM 475 C PHE A 33 9.179 -5.119 11.248 1.00 0.00 C ATOM 476 O PHE A 33 9.427 -5.016 10.043 1.00 0.00 O ATOM 477 CB PHE A 33 10.798 -6.584 12.519 1.00 0.00 C ATOM 478 CG PHE A 33 11.893 -6.042 11.622 1.00 0.00 C ATOM 479 CD1 PHE A 33 12.157 -6.609 10.380 1.00 0.00 C ATOM 480 CD2 PHE A 33 12.666 -4.963 12.032 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.166 -6.111 9.579 1.00 0.00 C ATOM 482 CE2 PHE A 33 13.674 -4.466 11.232 1.00 0.00 C ATOM 483 CZ PHE A 33 13.925 -5.041 10.005 1.00 0.00 C ATOM 0 H PHE A 33 9.808 -7.736 10.351 1.00 0.00 H new ATOM 0 HA PHE A 33 8.673 -6.515 12.795 1.00 0.00 H new ATOM 0 HB2 PHE A 33 10.842 -6.062 13.475 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.003 -7.635 12.721 1.00 0.00 H new ATOM 0 HD1 PHE A 33 11.567 -7.447 10.038 1.00 0.00 H new ATOM 0 HD2 PHE A 33 12.475 -4.506 12.992 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.361 -6.561 8.617 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.266 -3.627 11.567 1.00 0.00 H new ATOM 0 HZ PHE A 33 14.715 -4.654 9.378 1.00 0.00 H new ATOM 493 N PRO A 34 8.714 -4.089 11.980 1.00 0.00 N ATOM 494 CA PRO A 34 8.519 -2.753 11.423 1.00 0.00 C ATOM 495 C PRO A 34 9.814 -1.930 11.432 1.00 0.00 C ATOM 496 O PRO A 34 10.409 -1.694 12.491 1.00 0.00 O ATOM 497 CB PRO A 34 7.469 -2.149 12.360 1.00 0.00 C ATOM 498 CG PRO A 34 7.730 -2.786 13.687 1.00 0.00 C ATOM 499 CD PRO A 34 8.322 -4.151 13.406 1.00 0.00 C ATOM 0 HA PRO A 34 8.213 -2.770 10.377 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.566 -1.065 12.416 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.458 -2.361 12.011 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.417 -2.181 14.278 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.808 -2.875 14.262 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.180 -4.353 14.047 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.597 -4.945 13.586 1.00 0.00 H new ATOM 507 N GLN A 35 10.249 -1.506 10.252 1.00 0.00 N ATOM 508 CA GLN A 35 11.462 -0.699 10.113 1.00 0.00 C ATOM 509 C GLN A 35 11.098 0.743 9.761 1.00 0.00 C ATOM 510 O GLN A 35 10.127 0.978 9.041 1.00 0.00 O ATOM 511 CB GLN A 35 12.398 -1.286 9.039 1.00 0.00 C ATOM 512 CG GLN A 35 11.817 -1.290 7.624 1.00 0.00 C ATOM 513 CD GLN A 35 10.718 -2.321 7.427 1.00 0.00 C ATOM 514 OE1 GLN A 35 10.735 -3.393 8.029 1.00 0.00 O ATOM 515 NE2 GLN A 35 9.738 -1.990 6.605 1.00 0.00 N ATOM 0 H GLN A 35 9.778 -1.708 9.370 1.00 0.00 H new ATOM 0 HA GLN A 35 11.989 -0.712 11.067 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.327 -0.717 9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.652 -2.309 9.317 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.421 -0.300 7.399 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.618 -1.483 6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.758 -1.091 6.123 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.961 -2.633 6.453 1.00 0.00 H new ATOM 524 N GLU A 36 11.879 1.692 10.285 1.00 0.00 N ATOM 525 CA GLU A 36 11.680 3.123 10.031 1.00 0.00 C ATOM 526 C GLU A 36 10.281 3.580 10.455 1.00 0.00 C ATOM 527 O GLU A 36 9.301 3.431 9.714 1.00 0.00 O ATOM 528 CB GLU A 36 11.941 3.460 8.557 1.00 0.00 C ATOM 529 CG GLU A 36 13.394 3.279 8.124 1.00 0.00 C ATOM 530 CD GLU A 36 14.348 4.207 8.864 1.00 0.00 C ATOM 531 OE1 GLU A 36 14.577 5.342 8.387 1.00 0.00 O ATOM 532 OE2 GLU A 36 14.876 3.810 9.926 1.00 0.00 O ATOM 0 H GLU A 36 12.669 1.490 10.898 1.00 0.00 H new ATOM 0 HA GLU A 36 12.403 3.667 10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.306 2.830 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.644 4.493 8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.694 2.245 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.475 3.461 7.052 1.00 0.00 H new ATOM 539 N GLY A 37 10.198 4.144 11.655 1.00 0.00 N ATOM 540 CA GLY A 37 8.922 4.557 12.206 1.00 0.00 C ATOM 541 C GLY A 37 8.124 3.371 12.705 1.00 0.00 C ATOM 542 O GLY A 37 7.999 3.162 13.913 1.00 0.00 O ATOM 0 H GLY A 37 10.999 4.323 12.260 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.087 5.256 13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.350 5.087 11.445 1.00 0.00 H new ATOM 546 N GLY A 38 7.603 2.578 11.769 1.00 0.00 N ATOM 547 CA GLY A 38 6.864 1.382 12.120 1.00 0.00 C ATOM 548 C GLY A 38 5.660 1.672 12.994 1.00 0.00 C ATOM 549 O GLY A 38 5.619 1.273 14.160 1.00 0.00 O ATOM 0 H GLY A 38 7.683 2.748 10.766 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.534 0.883 11.209 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.527 0.690 12.640 1.00 0.00 H new ATOM 553 N GLY A 39 4.687 2.380 12.434 1.00 0.00 N ATOM 554 CA GLY A 39 3.484 2.727 13.172 1.00 0.00 C ATOM 555 C GLY A 39 2.811 3.953 12.597 1.00 0.00 C ATOM 556 O GLY A 39 1.590 3.988 12.442 1.00 0.00 O ATOM 0 H GLY A 39 4.709 2.723 11.474 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.789 1.887 13.152 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.737 2.907 14.217 1.00 0.00 H new ATOM 560 N ILE A 40 3.619 4.956 12.278 1.00 0.00 N ATOM 561 CA ILE A 40 3.134 6.200 11.690 1.00 0.00 C ATOM 562 C ILE A 40 3.822 6.436 10.338 1.00 0.00 C ATOM 563 O ILE A 40 3.871 7.555 9.827 1.00 0.00 O ATOM 564 CB ILE A 40 3.386 7.395 12.658 1.00 0.00 C ATOM 565 CG1 ILE A 40 2.680 8.674 12.159 1.00 0.00 C ATOM 566 CG2 ILE A 40 4.886 7.634 12.845 1.00 0.00 C ATOM 567 CD1 ILE A 40 2.875 9.879 13.057 1.00 0.00 C ATOM 0 H ILE A 40 4.629 4.931 12.419 1.00 0.00 H new ATOM 0 HA ILE A 40 2.059 6.123 11.526 1.00 0.00 H new ATOM 0 HB ILE A 40 2.960 7.138 13.628 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.049 8.914 11.162 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.613 8.474 12.065 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.039 8.473 13.524 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.348 6.739 13.263 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.341 7.860 11.881 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.348 10.735 12.636 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.480 9.661 14.049 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.938 10.108 13.132 1.00 0.00 H new ATOM 579 N SER A 41 4.320 5.351 9.746 1.00 0.00 N ATOM 580 CA SER A 41 5.055 5.423 8.490 1.00 0.00 C ATOM 581 C SER A 41 4.165 6.004 7.386 1.00 0.00 C ATOM 582 O SER A 41 3.085 5.478 7.100 1.00 0.00 O ATOM 583 CB SER A 41 5.567 4.028 8.105 1.00 0.00 C ATOM 584 OG SER A 41 6.334 3.459 9.159 1.00 0.00 O ATOM 0 H SER A 41 4.225 4.407 10.121 1.00 0.00 H new ATOM 0 HA SER A 41 5.913 6.084 8.615 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.723 3.378 7.872 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.175 4.096 7.203 1.00 0.00 H new ATOM 0 HG SER A 41 7.283 3.663 9.020 1.00 0.00 H new ATOM 590 N ARG A 42 4.620 7.097 6.786 1.00 0.00 N ATOM 591 CA ARG A 42 3.841 7.814 5.786 1.00 0.00 C ATOM 592 C ARG A 42 4.001 7.158 4.412 1.00 0.00 C ATOM 593 O ARG A 42 4.943 7.451 3.673 1.00 0.00 O ATOM 594 CB ARG A 42 4.280 9.285 5.759 1.00 0.00 C ATOM 595 CG ARG A 42 3.524 10.160 4.760 1.00 0.00 C ATOM 596 CD ARG A 42 3.927 11.624 4.899 1.00 0.00 C ATOM 597 NE ARG A 42 3.339 12.472 3.857 1.00 0.00 N ATOM 598 CZ ARG A 42 2.438 13.432 4.087 1.00 0.00 C ATOM 599 NH1 ARG A 42 1.914 13.587 5.303 1.00 0.00 N ATOM 600 NH2 ARG A 42 2.046 14.221 3.097 1.00 0.00 N ATOM 0 H ARG A 42 5.533 7.509 6.978 1.00 0.00 H new ATOM 0 HA ARG A 42 2.784 7.771 6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.155 9.706 6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.344 9.328 5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.728 9.818 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.451 10.058 4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.618 11.991 5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.013 11.704 4.857 1.00 0.00 H new ATOM 0 HE ARG A 42 3.637 12.319 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.200 12.971 6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.227 14.321 5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.432 14.095 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.358 14.954 3.271 1.00 0.00 H new ATOM 614 N VAL A 43 3.087 6.246 4.100 1.00 0.00 N ATOM 615 CA VAL A 43 3.108 5.519 2.833 1.00 0.00 C ATOM 616 C VAL A 43 2.192 6.206 1.818 1.00 0.00 C ATOM 617 O VAL A 43 1.206 6.839 2.196 1.00 0.00 O ATOM 618 CB VAL A 43 2.655 4.045 3.027 1.00 0.00 C ATOM 619 CG1 VAL A 43 2.783 3.249 1.727 1.00 0.00 C ATOM 620 CG2 VAL A 43 3.451 3.380 4.150 1.00 0.00 C ATOM 0 H VAL A 43 2.314 5.990 4.714 1.00 0.00 H new ATOM 0 HA VAL A 43 4.132 5.521 2.461 1.00 0.00 H new ATOM 0 HB VAL A 43 1.602 4.053 3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.459 2.222 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.159 3.705 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.823 3.252 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.119 2.349 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.512 3.393 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.290 3.924 5.081 1.00 0.00 H new ATOM 630 N GLY A 44 2.520 6.086 0.538 1.00 0.00 N ATOM 631 CA GLY A 44 1.724 6.707 -0.502 1.00 0.00 C ATOM 632 C GLY A 44 1.851 5.990 -1.829 1.00 0.00 C ATOM 633 O GLY A 44 2.937 5.927 -2.408 1.00 0.00 O ATOM 0 H GLY A 44 3.329 5.565 0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.678 6.719 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.033 7.745 -0.622 1.00 0.00 H new ATOM 637 N VAL A 45 0.743 5.438 -2.310 1.00 0.00 N ATOM 638 CA VAL A 45 0.717 4.788 -3.614 1.00 0.00 C ATOM 639 C VAL A 45 0.412 5.817 -4.704 1.00 0.00 C ATOM 640 O VAL A 45 -0.647 6.456 -4.695 1.00 0.00 O ATOM 641 CB VAL A 45 -0.319 3.629 -3.659 1.00 0.00 C ATOM 642 CG1 VAL A 45 -1.719 4.111 -3.271 1.00 0.00 C ATOM 643 CG2 VAL A 45 -0.330 2.963 -5.039 1.00 0.00 C ATOM 0 H VAL A 45 -0.149 5.428 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 45 1.701 4.354 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.015 2.885 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.417 3.275 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.697 4.514 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.041 4.888 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.062 2.155 -5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.595 3.700 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.659 2.559 -5.256 1.00 0.00 H new ATOM 653 N CYS A 46 1.355 6.000 -5.624 1.00 0.00 N ATOM 654 CA CYS A 46 1.206 6.969 -6.702 1.00 0.00 C ATOM 655 C CYS A 46 1.114 6.273 -8.056 1.00 0.00 C ATOM 656 O CYS A 46 1.720 5.218 -8.269 1.00 0.00 O ATOM 657 CB CYS A 46 2.374 7.963 -6.684 1.00 0.00 C ATOM 658 SG CYS A 46 4.007 7.189 -6.695 1.00 0.00 S ATOM 0 H CYS A 46 2.236 5.485 -5.643 1.00 0.00 H new ATOM 0 HA CYS A 46 0.277 7.516 -6.544 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.290 8.620 -7.549 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.288 8.591 -5.797 1.00 0.00 H new ATOM 0 HG CYS A 46 4.924 8.110 -6.681 1.00 0.00 H new ATOM 664 N LYS A 47 0.337 6.863 -8.958 1.00 0.00 N ATOM 665 CA LYS A 47 0.158 6.335 -10.307 1.00 0.00 C ATOM 666 C LYS A 47 1.175 6.975 -11.252 1.00 0.00 C ATOM 667 O LYS A 47 1.006 8.123 -11.667 1.00 0.00 O ATOM 668 CB LYS A 47 -1.271 6.629 -10.795 1.00 0.00 C ATOM 669 CG LYS A 47 -1.632 5.973 -12.129 1.00 0.00 C ATOM 670 CD LYS A 47 -2.875 6.614 -12.752 1.00 0.00 C ATOM 671 CE LYS A 47 -3.193 6.034 -14.123 1.00 0.00 C ATOM 672 NZ LYS A 47 -3.542 4.591 -14.055 1.00 0.00 N ATOM 0 H LYS A 47 -0.186 7.719 -8.776 1.00 0.00 H new ATOM 0 HA LYS A 47 0.315 5.256 -10.295 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.977 6.293 -10.036 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.395 7.708 -10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.792 6.061 -12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.808 4.908 -11.976 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.728 6.467 -12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.722 7.690 -12.841 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.022 6.586 -14.566 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.334 6.168 -14.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.833 4.259 -14.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.714 4.048 -13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.324 4.454 -13.383 1.00 0.00 H new ATOM 686 N VAL A 48 2.239 6.244 -11.571 1.00 0.00 N ATOM 687 CA VAL A 48 3.287 6.760 -12.449 1.00 0.00 C ATOM 688 C VAL A 48 2.917 6.536 -13.912 1.00 0.00 C ATOM 689 O VAL A 48 2.119 5.652 -14.231 1.00 0.00 O ATOM 690 CB VAL A 48 4.661 6.099 -12.160 1.00 0.00 C ATOM 691 CG1 VAL A 48 5.061 6.301 -10.703 1.00 0.00 C ATOM 692 CG2 VAL A 48 4.644 4.614 -12.512 1.00 0.00 C ATOM 0 H VAL A 48 2.399 5.294 -11.236 1.00 0.00 H new ATOM 0 HA VAL A 48 3.373 7.828 -12.251 1.00 0.00 H new ATOM 0 HB VAL A 48 5.404 6.585 -12.792 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.027 5.830 -10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.132 7.368 -10.490 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.310 5.850 -10.054 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.620 4.178 -12.299 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.883 4.108 -11.918 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.417 4.494 -13.571 1.00 0.00 H new ATOM 702 N MET A 49 3.498 7.333 -14.802 1.00 0.00 N ATOM 703 CA MET A 49 3.204 7.230 -16.227 1.00 0.00 C ATOM 704 C MET A 49 4.403 7.674 -17.056 1.00 0.00 C ATOM 705 O MET A 49 5.225 8.469 -16.600 1.00 0.00 O ATOM 706 CB MET A 49 1.966 8.069 -16.582 1.00 0.00 C ATOM 707 CG MET A 49 2.123 9.564 -16.320 1.00 0.00 C ATOM 708 SD MET A 49 0.593 10.480 -16.604 1.00 0.00 S ATOM 709 CE MET A 49 -0.485 9.737 -15.376 1.00 0.00 C ATOM 0 H MET A 49 4.175 8.057 -14.562 1.00 0.00 H new ATOM 0 HA MET A 49 2.994 6.186 -16.459 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.731 7.920 -17.636 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.115 7.699 -16.010 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.449 9.717 -15.291 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.906 9.962 -16.965 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.076 10.515 -14.892 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.152 9.024 -15.861 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.117 9.221 -14.628 1.00 0.00 H new ATOM 828 N GLY A 58 1.836 2.959 -14.831 1.00 0.00 N ATOM 829 CA GLY A 58 2.181 2.025 -13.773 1.00 0.00 C ATOM 830 C GLY A 58 1.925 2.621 -12.405 1.00 0.00 C ATOM 831 O GLY A 58 1.154 3.576 -12.277 1.00 0.00 O ATOM 0 HA2 GLY A 58 1.598 1.111 -13.888 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.231 1.747 -13.860 1.00 0.00 H new ATOM 835 N PHE A 59 2.576 2.079 -11.382 1.00 0.00 N ATOM 836 CA PHE A 59 2.392 2.549 -10.011 1.00 0.00 C ATOM 837 C PHE A 59 3.717 2.533 -9.262 1.00 0.00 C ATOM 838 O PHE A 59 4.674 1.885 -9.688 1.00 0.00 O ATOM 839 CB PHE A 59 1.348 1.684 -9.283 1.00 0.00 C ATOM 840 CG PHE A 59 -0.009 1.742 -9.933 1.00 0.00 C ATOM 841 CD1 PHE A 59 -0.877 2.787 -9.658 1.00 0.00 C ATOM 842 CD2 PHE A 59 -0.403 0.772 -10.848 1.00 0.00 C ATOM 843 CE1 PHE A 59 -2.107 2.864 -10.278 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.630 0.851 -11.474 1.00 0.00 C ATOM 845 CZ PHE A 59 -2.484 1.898 -11.187 1.00 0.00 C ATOM 0 H PHE A 59 3.239 1.310 -11.476 1.00 0.00 H new ATOM 0 HA PHE A 59 2.027 3.576 -10.042 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.691 0.650 -9.260 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.265 2.016 -8.248 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.587 3.550 -8.950 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.258 -0.052 -11.071 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.775 3.682 -10.051 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.922 0.095 -12.188 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.446 1.960 -11.674 1.00 0.00 H new ATOM 855 N LEU A 60 3.773 3.255 -8.153 1.00 0.00 N ATOM 856 CA LEU A 60 4.979 3.325 -7.343 1.00 0.00 C ATOM 857 C LEU A 60 4.603 3.220 -5.868 1.00 0.00 C ATOM 858 O LEU A 60 3.805 4.013 -5.360 1.00 0.00 O ATOM 859 CB LEU A 60 5.726 4.644 -7.627 1.00 0.00 C ATOM 860 CG LEU A 60 7.244 4.648 -7.351 1.00 0.00 C ATOM 861 CD1 LEU A 60 7.872 5.960 -7.822 1.00 0.00 C ATOM 862 CD2 LEU A 60 7.544 4.417 -5.874 1.00 0.00 C ATOM 0 H LEU A 60 2.992 3.803 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 60 5.642 2.497 -7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.569 4.907 -8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.268 5.431 -7.028 1.00 0.00 H new ATOM 0 HG LEU A 60 7.684 3.825 -7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.943 5.944 -7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.707 6.078 -8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.414 6.794 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.622 4.426 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.084 5.208 -5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.140 3.452 -5.567 1.00 0.00 H new ATOM 874 N ILE A 61 5.155 2.217 -5.196 1.00 0.00 N ATOM 875 CA ILE A 61 4.972 2.055 -3.763 1.00 0.00 C ATOM 876 C ILE A 61 5.972 2.943 -3.032 1.00 0.00 C ATOM 877 O ILE A 61 7.071 2.501 -2.690 1.00 0.00 O ATOM 878 CB ILE A 61 5.170 0.583 -3.321 1.00 0.00 C ATOM 879 CG1 ILE A 61 4.328 -0.361 -4.197 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.811 0.411 -1.842 1.00 0.00 C ATOM 881 CD1 ILE A 61 4.569 -1.830 -3.917 1.00 0.00 C ATOM 0 H ILE A 61 5.737 1.499 -5.627 1.00 0.00 H new ATOM 0 HA ILE A 61 3.950 2.342 -3.515 1.00 0.00 H new ATOM 0 HB ILE A 61 6.221 0.324 -3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.272 -0.140 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.546 -0.160 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.957 -0.629 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.452 1.051 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.769 0.689 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.941 -2.433 -4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.617 -2.068 -4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.323 -2.047 -2.878 1.00 0.00 H new ATOM 893 N HIS A 62 5.614 4.206 -2.855 1.00 0.00 N ATOM 894 CA HIS A 62 6.499 5.174 -2.221 1.00 0.00 C ATOM 895 C HIS A 62 6.146 5.309 -0.744 1.00 0.00 C ATOM 896 O HIS A 62 4.973 5.265 -0.373 1.00 0.00 O ATOM 897 CB HIS A 62 6.392 6.532 -2.935 1.00 0.00 C ATOM 898 CG HIS A 62 7.372 7.560 -2.455 1.00 0.00 C ATOM 899 ND1 HIS A 62 7.233 8.521 -1.508 1.00 0.00 N flip ATOM 900 CD2 HIS A 62 8.645 7.708 -2.960 1.00 0.00 C flip ATOM 901 CE1 HIS A 62 8.410 9.260 -1.431 1.00 0.00 C flip ATOM 902 NE2 HIS A 62 9.225 8.729 -2.323 1.00 0.00 N flip ATOM 0 H HIS A 62 4.712 4.587 -3.143 1.00 0.00 H new ATOM 0 HA HIS A 62 7.529 4.826 -2.300 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.538 6.380 -4.004 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.382 6.920 -2.803 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.095 7.105 -3.735 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.614 10.095 -0.777 1.00 0.00 H new ATOM 0 HE2 HIS A 62 10.174 9.056 -2.503 1.00 0.00 H new ATOM 910 N GLY A 63 7.161 5.454 0.092 1.00 0.00 N ATOM 911 CA GLY A 63 6.942 5.578 1.517 1.00 0.00 C ATOM 912 C GLY A 63 8.071 6.316 2.203 1.00 0.00 C ATOM 913 O GLY A 63 9.243 5.969 2.038 1.00 0.00 O ATOM 0 H GLY A 63 8.140 5.488 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.004 6.104 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.839 4.585 1.955 1.00 0.00 H new ATOM 917 N GLU A 64 7.719 7.339 2.962 1.00 0.00 N ATOM 918 CA GLU A 64 8.682 8.108 3.738 1.00 0.00 C ATOM 919 C GLU A 64 8.393 7.917 5.226 1.00 0.00 C ATOM 920 O GLU A 64 7.467 7.184 5.590 1.00 0.00 O ATOM 921 CB GLU A 64 8.601 9.592 3.353 1.00 0.00 C ATOM 922 CG GLU A 64 7.225 10.198 3.581 1.00 0.00 C ATOM 923 CD GLU A 64 7.172 11.695 3.308 1.00 0.00 C ATOM 924 OE1 GLU A 64 7.933 12.449 3.952 1.00 0.00 O ATOM 925 OE2 GLU A 64 6.372 12.124 2.450 1.00 0.00 O ATOM 0 H GLU A 64 6.756 7.662 3.059 1.00 0.00 H new ATOM 0 HA GLU A 64 9.692 7.757 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.337 10.151 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.870 9.703 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.503 9.693 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.920 10.013 4.611 1.00 0.00 H new ATOM 932 N ARG A 65 9.177 8.558 6.090 1.00 0.00 N ATOM 933 CA ARG A 65 8.942 8.450 7.526 1.00 0.00 C ATOM 934 C ARG A 65 7.611 9.094 7.893 1.00 0.00 C ATOM 935 O ARG A 65 6.678 8.400 8.299 1.00 0.00 O ATOM 936 CB ARG A 65 10.088 9.068 8.347 1.00 0.00 C ATOM 937 CG ARG A 65 11.321 8.173 8.432 1.00 0.00 C ATOM 938 CD ARG A 65 12.316 8.651 9.480 1.00 0.00 C ATOM 939 NE ARG A 65 13.393 7.678 9.681 1.00 0.00 N ATOM 940 CZ ARG A 65 14.135 7.591 10.786 1.00 0.00 C ATOM 941 NH1 ARG A 65 13.957 8.446 11.788 1.00 0.00 N ATOM 942 NH2 ARG A 65 15.056 6.642 10.884 1.00 0.00 N ATOM 0 H ARG A 65 9.967 9.147 5.827 1.00 0.00 H new ATOM 0 HA ARG A 65 8.904 7.389 7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.370 10.022 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.731 9.279 9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.011 7.155 8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.811 8.141 7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.740 9.606 9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.798 8.822 10.424 1.00 0.00 H new ATOM 0 HE ARG A 65 13.589 7.023 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.248 9.176 11.716 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.529 8.372 12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.194 5.984 10.117 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.627 6.570 11.726 1.00 0.00 H new ATOM 956 N GLN A 66 7.521 10.412 7.712 1.00 0.00 N ATOM 957 CA GLN A 66 6.314 11.161 8.069 1.00 0.00 C ATOM 958 C GLN A 66 6.515 12.662 7.863 1.00 0.00 C ATOM 959 O GLN A 66 5.546 13.406 7.696 1.00 0.00 O ATOM 960 CB GLN A 66 5.916 10.884 9.530 1.00 0.00 C ATOM 961 CG GLN A 66 6.945 11.350 10.553 1.00 0.00 C ATOM 962 CD GLN A 66 6.702 10.758 11.927 1.00 0.00 C ATOM 963 OE1 GLN A 66 5.831 11.385 12.698 1.00 0.00 O flip ATOM 964 NE2 GLN A 66 7.276 9.728 12.283 1.00 0.00 N flip ATOM 0 H GLN A 66 8.269 10.984 7.320 1.00 0.00 H new ATOM 0 HA GLN A 66 5.511 10.826 7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.966 11.376 9.736 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.754 9.813 9.655 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.943 11.074 10.212 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.921 12.438 10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.942 9.273 11.658 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.085 9.330 13.202 1.00 0.00 H new ATOM 973 N LYS A 67 7.774 13.101 7.890 1.00 0.00 N ATOM 974 CA LYS A 67 8.109 14.516 7.732 1.00 0.00 C ATOM 975 C LYS A 67 9.411 14.679 6.957 1.00 0.00 C ATOM 976 O LYS A 67 10.416 14.042 7.289 1.00 0.00 O ATOM 977 CB LYS A 67 8.268 15.201 9.102 1.00 0.00 C ATOM 978 CG LYS A 67 7.003 15.238 9.949 1.00 0.00 C ATOM 979 CD LYS A 67 7.246 15.939 11.285 1.00 0.00 C ATOM 980 CE LYS A 67 6.025 15.880 12.194 1.00 0.00 C ATOM 981 NZ LYS A 67 6.251 16.598 13.475 1.00 0.00 N ATOM 0 H LYS A 67 8.582 12.493 8.021 1.00 0.00 H new ATOM 0 HA LYS A 67 7.291 14.983 7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.048 14.685 9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.612 16.223 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.213 15.755 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.654 14.221 10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.095 15.475 11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.513 16.980 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.169 16.316 11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.776 14.839 12.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.397 16.534 14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.052 16.166 13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.463 17.597 13.280 1.00 0.00 H new ATOM 995 N ASP A 68 9.375 15.520 5.924 1.00 0.00 N ATOM 996 CA ASP A 68 10.580 15.956 5.214 1.00 0.00 C ATOM 997 C ASP A 68 11.193 14.833 4.369 1.00 0.00 C ATOM 998 O ASP A 68 10.886 13.652 4.558 1.00 0.00 O ATOM 999 CB ASP A 68 11.608 16.509 6.217 1.00 0.00 C ATOM 1000 CG ASP A 68 12.860 17.064 5.556 1.00 0.00 C ATOM 1001 OD1 ASP A 68 12.736 17.973 4.705 1.00 0.00 O ATOM 1002 OD2 ASP A 68 13.971 16.595 5.883 1.00 0.00 O ATOM 0 H ASP A 68 8.512 15.919 5.555 1.00 0.00 H new ATOM 0 HA ASP A 68 10.291 16.748 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.140 17.295 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.893 15.716 6.909 1.00 0.00 H new ATOM 1007 N LYS A 69 12.064 15.226 3.441 1.00 0.00 N ATOM 1008 CA LYS A 69 12.699 14.302 2.501 1.00 0.00 C ATOM 1009 C LYS A 69 13.422 13.167 3.226 1.00 0.00 C ATOM 1010 O LYS A 69 14.540 13.348 3.715 1.00 0.00 O ATOM 1011 CB LYS A 69 13.706 15.059 1.621 1.00 0.00 C ATOM 1012 CG LYS A 69 13.114 16.244 0.861 1.00 0.00 C ATOM 1013 CD LYS A 69 14.200 17.051 0.148 1.00 0.00 C ATOM 1014 CE LYS A 69 15.197 17.655 1.136 1.00 0.00 C ATOM 1015 NZ LYS A 69 16.334 18.326 0.452 1.00 0.00 N ATOM 0 H LYS A 69 12.350 16.197 3.319 1.00 0.00 H new ATOM 0 HA LYS A 69 11.912 13.869 1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.522 15.417 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.139 14.362 0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.389 15.884 0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.575 16.890 1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.729 16.407 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.738 17.848 -0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.683 18.375 1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.580 16.870 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.983 18.720 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.842 17.635 -0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.973 19.093 -0.150 1.00 0.00 H new ATOM 1029 N LEU A 70 12.772 12.009 3.311 1.00 0.00 N ATOM 1030 CA LEU A 70 13.399 10.810 3.855 1.00 0.00 C ATOM 1031 C LEU A 70 12.593 9.580 3.430 1.00 0.00 C ATOM 1032 O LEU A 70 11.691 9.133 4.142 1.00 0.00 O ATOM 1033 CB LEU A 70 13.518 10.900 5.393 1.00 0.00 C ATOM 1034 CG LEU A 70 14.638 10.052 6.037 1.00 0.00 C ATOM 1035 CD1 LEU A 70 14.810 10.421 7.508 1.00 0.00 C ATOM 1036 CD2 LEU A 70 14.361 8.555 5.895 1.00 0.00 C ATOM 0 H LEU A 70 11.807 11.877 3.008 1.00 0.00 H new ATOM 0 HA LEU A 70 14.411 10.722 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.678 11.943 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.565 10.599 5.829 1.00 0.00 H new ATOM 0 HG LEU A 70 15.564 10.272 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.603 9.814 7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.073 11.476 7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.877 10.237 8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.169 7.990 6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.419 8.311 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.297 8.295 4.838 1.00 0.00 H new ATOM 1048 N VAL A 71 12.910 9.066 2.245 1.00 0.00 N ATOM 1049 CA VAL A 71 12.227 7.899 1.693 1.00 0.00 C ATOM 1050 C VAL A 71 12.702 6.625 2.390 1.00 0.00 C ATOM 1051 O VAL A 71 13.879 6.269 2.314 1.00 0.00 O ATOM 1052 CB VAL A 71 12.473 7.772 0.165 1.00 0.00 C ATOM 1053 CG1 VAL A 71 11.683 6.602 -0.421 1.00 0.00 C ATOM 1054 CG2 VAL A 71 12.126 9.081 -0.545 1.00 0.00 C ATOM 0 H VAL A 71 13.642 9.443 1.644 1.00 0.00 H new ATOM 0 HA VAL A 71 11.159 8.032 1.864 1.00 0.00 H new ATOM 0 HB VAL A 71 13.532 7.570 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.873 6.535 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.994 5.675 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.618 6.760 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.305 8.973 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.076 9.320 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.749 9.884 -0.152 1.00 0.00 H new ATOM 1064 N VAL A 72 11.785 5.948 3.072 1.00 0.00 N ATOM 1065 CA VAL A 72 12.118 4.740 3.824 1.00 0.00 C ATOM 1066 C VAL A 72 11.775 3.483 3.034 1.00 0.00 C ATOM 1067 O VAL A 72 12.326 2.410 3.292 1.00 0.00 O ATOM 1068 CB VAL A 72 11.384 4.699 5.184 1.00 0.00 C ATOM 1069 CG1 VAL A 72 11.718 5.940 6.001 1.00 0.00 C ATOM 1070 CG2 VAL A 72 9.873 4.560 4.997 1.00 0.00 C ATOM 0 H VAL A 72 10.802 6.215 3.121 1.00 0.00 H new ATOM 0 HA VAL A 72 13.193 4.769 4.002 1.00 0.00 H new ATOM 0 HB VAL A 72 11.729 3.820 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.195 5.898 6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.793 5.981 6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.406 6.830 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.387 4.534 5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.497 5.409 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.656 3.637 4.459 1.00 0.00 H new ATOM 1080 N LEU A 73 10.870 3.619 2.074 1.00 0.00 N ATOM 1081 CA LEU A 73 10.411 2.487 1.287 1.00 0.00 C ATOM 1082 C LEU A 73 10.013 2.981 -0.093 1.00 0.00 C ATOM 1083 O LEU A 73 9.276 3.958 -0.217 1.00 0.00 O ATOM 1084 CB LEU A 73 9.225 1.794 1.998 1.00 0.00 C ATOM 1085 CG LEU A 73 8.817 0.394 1.478 1.00 0.00 C ATOM 1086 CD1 LEU A 73 8.098 0.473 0.130 1.00 0.00 C ATOM 1087 CD2 LEU A 73 10.035 -0.526 1.387 1.00 0.00 C ATOM 0 H LEU A 73 10.438 4.508 1.822 1.00 0.00 H new ATOM 0 HA LEU A 73 11.209 1.752 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.470 1.705 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.357 2.449 1.926 1.00 0.00 H new ATOM 0 HG LEU A 73 8.115 -0.027 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.829 -0.531 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.195 1.075 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.757 0.932 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.725 -1.504 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.766 -0.096 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.483 -0.635 2.375 1.00 0.00 H new ATOM 1099 N GLU A 74 10.523 2.328 -1.124 1.00 0.00 N ATOM 1100 CA GLU A 74 10.191 2.690 -2.489 1.00 0.00 C ATOM 1101 C GLU A 74 10.343 1.481 -3.405 1.00 0.00 C ATOM 1102 O GLU A 74 11.448 0.977 -3.612 1.00 0.00 O ATOM 1103 CB GLU A 74 11.072 3.856 -2.959 1.00 0.00 C ATOM 1104 CG GLU A 74 10.695 4.379 -4.335 1.00 0.00 C ATOM 1105 CD GLU A 74 11.464 5.625 -4.734 1.00 0.00 C ATOM 1106 OE1 GLU A 74 11.013 6.741 -4.402 1.00 0.00 O ATOM 1107 OE2 GLU A 74 12.521 5.498 -5.394 1.00 0.00 O ATOM 0 H GLU A 74 11.169 1.543 -1.040 1.00 0.00 H new ATOM 0 HA GLU A 74 9.152 3.016 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.001 4.670 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.113 3.533 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.873 3.598 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.627 4.598 -4.353 1.00 0.00 H new ATOM 1114 N CYS A 75 9.220 1.010 -3.938 1.00 0.00 N ATOM 1115 CA CYS A 75 9.193 -0.153 -4.816 1.00 0.00 C ATOM 1116 C CYS A 75 8.395 0.179 -6.075 1.00 0.00 C ATOM 1117 O CYS A 75 7.210 0.506 -5.999 1.00 0.00 O ATOM 1118 CB CYS A 75 8.588 -1.351 -4.075 1.00 0.00 C ATOM 1119 SG CYS A 75 9.409 -1.720 -2.511 1.00 0.00 S ATOM 0 H CYS A 75 8.303 1.425 -3.773 1.00 0.00 H new ATOM 0 HA CYS A 75 10.208 -0.417 -5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.533 -1.155 -3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.638 -2.229 -4.719 1.00 0.00 H new ATOM 0 HG CYS A 75 9.298 -2.989 -2.251 1.00 0.00 H new ATOM 1125 N TYR A 76 9.055 0.115 -7.225 1.00 0.00 N ATOM 1126 CA TYR A 76 8.452 0.545 -8.482 1.00 0.00 C ATOM 1127 C TYR A 76 7.629 -0.584 -9.111 1.00 0.00 C ATOM 1128 O TYR A 76 8.154 -1.658 -9.410 1.00 0.00 O ATOM 1129 CB TYR A 76 9.552 1.016 -9.447 1.00 0.00 C ATOM 1130 CG TYR A 76 9.038 1.828 -10.620 1.00 0.00 C ATOM 1131 CD1 TYR A 76 8.536 3.109 -10.426 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.060 1.324 -11.917 1.00 0.00 C ATOM 1133 CE1 TYR A 76 8.071 3.862 -11.484 1.00 0.00 C ATOM 1134 CE2 TYR A 76 8.598 2.075 -12.982 1.00 0.00 C ATOM 1135 CZ TYR A 76 8.104 3.341 -12.759 1.00 0.00 C ATOM 1136 OH TYR A 76 7.645 4.096 -13.816 1.00 0.00 O ATOM 0 H TYR A 76 10.010 -0.231 -7.314 1.00 0.00 H new ATOM 0 HA TYR A 76 7.775 1.375 -8.280 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.275 1.615 -8.893 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.085 0.144 -9.827 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.509 3.523 -9.429 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.444 0.330 -12.094 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.683 4.855 -11.314 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.624 1.671 -13.983 1.00 0.00 H new ATOM 0 HH TYR A 76 7.738 3.585 -14.647 1.00 0.00 H new ATOM 1146 N VAL A 77 6.341 -0.318 -9.328 1.00 0.00 N ATOM 1147 CA VAL A 77 5.411 -1.308 -9.866 1.00 0.00 C ATOM 1148 C VAL A 77 5.202 -1.047 -11.353 1.00 0.00 C ATOM 1149 O VAL A 77 4.408 -0.183 -11.740 1.00 0.00 O ATOM 1150 CB VAL A 77 4.048 -1.258 -9.124 1.00 0.00 C ATOM 1151 CG1 VAL A 77 3.062 -2.267 -9.705 1.00 0.00 C ATOM 1152 CG2 VAL A 77 4.243 -1.488 -7.628 1.00 0.00 C ATOM 0 H VAL A 77 5.915 0.588 -9.136 1.00 0.00 H new ATOM 0 HA VAL A 77 5.837 -2.301 -9.720 1.00 0.00 H new ATOM 0 HB VAL A 77 3.625 -0.264 -9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.118 -2.207 -9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.891 -2.044 -10.758 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.472 -3.273 -9.609 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.277 -1.449 -7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.697 -2.465 -7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.894 -0.714 -7.223 1.00 0.00 H new ATOM 1162 N ARG A 78 5.927 -1.780 -12.183 1.00 0.00 N ATOM 1163 CA ARG A 78 5.937 -1.524 -13.614 1.00 0.00 C ATOM 1164 C ARG A 78 5.348 -2.716 -14.377 1.00 0.00 C ATOM 1165 O ARG A 78 6.058 -3.437 -15.085 1.00 0.00 O ATOM 1166 CB ARG A 78 7.376 -1.213 -14.069 1.00 0.00 C ATOM 1167 CG ARG A 78 8.372 -2.311 -13.712 1.00 0.00 C ATOM 1168 CD ARG A 78 9.823 -1.858 -13.818 1.00 0.00 C ATOM 1169 NE ARG A 78 10.746 -2.964 -13.546 1.00 0.00 N ATOM 1170 CZ ARG A 78 10.803 -3.636 -12.389 1.00 0.00 C ATOM 1171 NH1 ARG A 78 10.056 -3.275 -11.350 1.00 0.00 N ATOM 1172 NH2 ARG A 78 11.620 -4.674 -12.273 1.00 0.00 N ATOM 0 H ARG A 78 6.517 -2.558 -11.889 1.00 0.00 H new ATOM 0 HA ARG A 78 5.312 -0.658 -13.834 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.384 -1.062 -15.148 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.699 -0.277 -13.614 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.178 -2.653 -12.696 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.215 -3.165 -14.371 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.011 -1.462 -14.816 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.006 -1.047 -13.113 1.00 0.00 H new ATOM 0 HE ARG A 78 11.388 -3.240 -14.288 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.427 -2.475 -11.427 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.111 -3.798 -10.476 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.201 -4.957 -13.062 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.668 -5.190 -11.394 1.00 0.00 H new ATOM 1186 N LYS A 79 4.037 -2.919 -14.204 1.00 0.00 N ATOM 1187 CA LYS A 79 3.323 -4.049 -14.810 1.00 0.00 C ATOM 1188 C LYS A 79 3.776 -5.377 -14.197 1.00 0.00 C ATOM 1189 O LYS A 79 3.671 -6.437 -14.820 1.00 0.00 O ATOM 1190 CB LYS A 79 3.490 -4.056 -16.341 1.00 0.00 C ATOM 1191 CG LYS A 79 2.752 -2.915 -17.043 1.00 0.00 C ATOM 1192 CD LYS A 79 1.236 -3.041 -16.879 1.00 0.00 C ATOM 1193 CE LYS A 79 0.486 -1.885 -17.534 1.00 0.00 C ATOM 1194 NZ LYS A 79 -0.988 -2.081 -17.479 1.00 0.00 N ATOM 0 H LYS A 79 3.443 -2.308 -13.643 1.00 0.00 H new ATOM 0 HA LYS A 79 2.261 -3.928 -14.594 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.551 -3.994 -16.583 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.129 -5.007 -16.733 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.085 -1.960 -16.635 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.005 -2.915 -18.103 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.902 -3.982 -17.316 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.989 -3.077 -15.818 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.748 -0.952 -17.034 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.801 -1.789 -18.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.364 -2.157 -18.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.203 -2.953 -16.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.428 -1.270 -16.999 1.00 0.00 H new ATOM 1208 N ASP A 80 4.265 -5.301 -12.965 1.00 0.00 N ATOM 1209 CA ASP A 80 4.638 -6.478 -12.180 1.00 0.00 C ATOM 1210 C ASP A 80 4.411 -6.168 -10.706 1.00 0.00 C ATOM 1211 O ASP A 80 3.898 -5.099 -10.381 1.00 0.00 O ATOM 1212 CB ASP A 80 6.111 -6.863 -12.416 1.00 0.00 C ATOM 1213 CG ASP A 80 7.093 -5.911 -11.741 1.00 0.00 C ATOM 1214 OD1 ASP A 80 7.171 -4.736 -12.161 1.00 0.00 O ATOM 1215 OD2 ASP A 80 7.794 -6.339 -10.795 1.00 0.00 O ATOM 0 H ASP A 80 4.416 -4.418 -12.477 1.00 0.00 H new ATOM 0 HA ASP A 80 4.023 -7.323 -12.490 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.280 -7.874 -12.045 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.309 -6.880 -13.488 1.00 0.00 H new ATOM 1220 N LEU A 81 4.791 -7.098 -9.829 1.00 0.00 N ATOM 1221 CA LEU A 81 4.674 -6.900 -8.382 1.00 0.00 C ATOM 1222 C LEU A 81 3.197 -6.833 -7.975 1.00 0.00 C ATOM 1223 O LEU A 81 2.545 -5.794 -8.105 1.00 0.00 O ATOM 1224 CB LEU A 81 5.449 -5.628 -7.955 1.00 0.00 C ATOM 1225 CG LEU A 81 5.662 -5.415 -6.439 1.00 0.00 C ATOM 1226 CD1 LEU A 81 6.772 -4.393 -6.196 1.00 0.00 C ATOM 1227 CD2 LEU A 81 4.376 -4.959 -5.748 1.00 0.00 C ATOM 0 H LEU A 81 5.184 -8.000 -10.096 1.00 0.00 H new ATOM 0 HA LEU A 81 5.120 -7.748 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.427 -5.650 -8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.920 -4.760 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 81 5.954 -6.374 -6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.910 -4.254 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.701 -4.753 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.498 -3.442 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.565 -4.820 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.043 -4.017 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.602 -5.715 -5.883 1.00 0.00 H new ATOM 1239 N VAL A 82 2.671 -7.955 -7.498 1.00 0.00 N ATOM 1240 CA VAL A 82 1.271 -8.042 -7.092 1.00 0.00 C ATOM 1241 C VAL A 82 1.160 -8.223 -5.579 1.00 0.00 C ATOM 1242 O VAL A 82 1.873 -9.037 -4.988 1.00 0.00 O ATOM 1243 CB VAL A 82 0.549 -9.215 -7.807 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -0.928 -9.275 -7.411 1.00 0.00 C ATOM 1245 CG2 VAL A 82 0.701 -9.102 -9.326 1.00 0.00 C ATOM 0 H VAL A 82 3.195 -8.822 -7.382 1.00 0.00 H new ATOM 0 HA VAL A 82 0.789 -7.108 -7.380 1.00 0.00 H new ATOM 0 HB VAL A 82 1.020 -10.144 -7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.409 -10.106 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.010 -9.420 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.418 -8.342 -7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.187 -9.935 -9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.266 -8.162 -9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.759 -9.128 -9.589 1.00 0.00 H new ATOM 1255 N TYR A 83 0.274 -7.446 -4.959 1.00 0.00 N ATOM 1256 CA TYR A 83 0.020 -7.548 -3.524 1.00 0.00 C ATOM 1257 C TYR A 83 -0.680 -8.865 -3.194 1.00 0.00 C ATOM 1258 O TYR A 83 -1.735 -9.175 -3.750 1.00 0.00 O ATOM 1259 CB TYR A 83 -0.857 -6.382 -3.044 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.159 -5.034 -2.961 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.589 -4.533 -4.023 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -0.267 -4.254 -1.814 1.00 0.00 C ATOM 1263 CE1 TYR A 83 1.207 -3.298 -3.939 1.00 0.00 C ATOM 1264 CE2 TYR A 83 0.343 -3.020 -1.727 1.00 0.00 C ATOM 1265 CZ TYR A 83 1.079 -2.546 -2.790 1.00 0.00 C ATOM 1266 OH TYR A 83 1.683 -1.312 -2.702 1.00 0.00 O ATOM 0 H TYR A 83 -0.283 -6.735 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 83 0.982 -7.511 -3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.710 -6.290 -3.716 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.253 -6.629 -2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 83 0.688 -5.117 -4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -0.840 -4.622 -0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 83 1.787 -2.924 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 83 0.244 -2.428 -0.829 1.00 0.00 H new ATOM 0 HH TYR A 83 1.492 -0.916 -1.826 1.00 0.00 H new ATOM 1276 N THR A 84 -0.088 -9.636 -2.295 1.00 0.00 N ATOM 1277 CA THR A 84 -0.706 -10.854 -1.797 1.00 0.00 C ATOM 1278 C THR A 84 -1.434 -10.561 -0.480 1.00 0.00 C ATOM 1279 O THR A 84 -0.810 -10.185 0.518 1.00 0.00 O ATOM 1280 CB THR A 84 0.348 -11.964 -1.584 1.00 0.00 C ATOM 1281 OG1 THR A 84 1.099 -12.156 -2.794 1.00 0.00 O ATOM 1282 CG2 THR A 84 -0.308 -13.282 -1.176 1.00 0.00 C ATOM 0 H THR A 84 0.828 -9.437 -1.893 1.00 0.00 H new ATOM 0 HA THR A 84 -1.423 -11.206 -2.539 1.00 0.00 H new ATOM 0 HB THR A 84 1.013 -11.650 -0.779 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.768 -12.859 -2.656 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.460 -14.042 -1.034 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.857 -13.142 -0.245 1.00 0.00 H new ATOM 0 HG23 THR A 84 -0.996 -13.603 -1.958 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.759 -10.693 -0.500 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.578 -10.469 0.690 1.00 0.00 C ATOM 1292 C LYS A 85 -3.448 -11.660 1.637 1.00 0.00 C ATOM 1293 O LYS A 85 -4.086 -12.697 1.433 1.00 0.00 O ATOM 1294 CB LYS A 85 -5.056 -10.248 0.293 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.638 -8.913 0.758 1.00 0.00 C ATOM 1296 CD LYS A 85 -5.686 -8.807 2.281 1.00 0.00 C ATOM 1297 CE LYS A 85 -6.100 -7.412 2.743 1.00 0.00 C ATOM 1298 NZ LYS A 85 -7.419 -6.999 2.191 1.00 0.00 N ATOM 0 H LYS A 85 -3.290 -10.955 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.226 -9.573 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.142 -10.311 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.657 -11.057 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.037 -8.097 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.644 -8.796 0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.388 -9.543 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.706 -9.050 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.142 -7.391 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.341 -6.692 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.290 -6.186 1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.837 -7.790 1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.053 -6.732 2.971 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.601 -11.521 2.653 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.376 -12.599 3.612 1.00 0.00 C ATOM 1314 C ALA A 86 -3.334 -12.466 4.785 1.00 0.00 C ATOM 1315 O ALA A 86 -3.971 -13.436 5.204 1.00 0.00 O ATOM 1316 CB ALA A 86 -0.932 -12.590 4.101 1.00 0.00 C ATOM 0 H ALA A 86 -2.060 -10.675 2.834 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.562 -13.550 3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.784 -13.401 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.260 -12.726 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.718 -11.637 4.585 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.439 -11.251 5.304 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.332 -10.949 6.419 1.00 0.00 C ATOM 1324 C ASN A 87 -5.148 -9.705 6.087 1.00 0.00 C ATOM 1325 O ASN A 87 -4.698 -8.867 5.305 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.533 -10.726 7.714 1.00 0.00 C ATOM 1327 CG ASN A 87 -2.729 -11.947 8.132 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.225 -12.815 8.849 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -1.477 -12.017 7.699 1.00 0.00 N ATOM 0 H ASN A 87 -2.910 -10.447 4.967 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.001 -11.795 6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.857 -9.882 7.577 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.220 -10.457 8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.891 -12.810 7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.100 -11.278 7.106 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.355 -9.564 6.668 1.00 0.00 N ATOM 1337 CA PRO A 88 -7.232 -8.407 6.412 1.00 0.00 C ATOM 1338 C PRO A 88 -6.508 -7.068 6.582 1.00 0.00 C ATOM 1339 O PRO A 88 -6.823 -6.090 5.900 1.00 0.00 O ATOM 1340 CB PRO A 88 -8.334 -8.561 7.468 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.388 -10.025 7.741 1.00 0.00 C ATOM 1342 CD PRO A 88 -6.973 -10.523 7.611 1.00 0.00 C ATOM 0 HA PRO A 88 -7.600 -8.395 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.100 -7.997 8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.291 -8.190 7.100 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.781 -10.222 8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.046 -10.530 7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.459 -10.528 8.572 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.940 -11.542 7.226 1.00 0.00 H new ATOM 1350 N THR A 89 -5.536 -7.040 7.488 1.00 0.00 N ATOM 1351 CA THR A 89 -4.782 -5.829 7.791 1.00 0.00 C ATOM 1352 C THR A 89 -3.304 -5.970 7.408 1.00 0.00 C ATOM 1353 O THR A 89 -2.462 -5.191 7.860 1.00 0.00 O ATOM 1354 CB THR A 89 -4.900 -5.493 9.298 1.00 0.00 C ATOM 1355 OG1 THR A 89 -4.676 -6.682 10.072 1.00 0.00 O ATOM 1356 CG2 THR A 89 -6.273 -4.915 9.632 1.00 0.00 C ATOM 0 H THR A 89 -5.249 -7.854 8.032 1.00 0.00 H new ATOM 0 HA THR A 89 -5.208 -5.019 7.199 1.00 0.00 H new ATOM 0 HB THR A 89 -4.148 -4.742 9.541 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.749 -6.470 11.026 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.324 -4.690 10.697 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.432 -4.001 9.060 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.045 -5.641 9.378 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.988 -6.946 6.554 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.599 -7.207 6.180 1.00 0.00 C ATOM 1366 C PHE A 90 -1.473 -7.662 4.720 1.00 0.00 C ATOM 1367 O PHE A 90 -1.964 -8.733 4.333 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.979 -8.254 7.121 1.00 0.00 C ATOM 1369 CG PHE A 90 0.448 -8.614 6.782 1.00 0.00 C ATOM 1370 CD1 PHE A 90 1.513 -7.880 7.292 1.00 0.00 C ATOM 1371 CD2 PHE A 90 0.724 -9.688 5.946 1.00 0.00 C ATOM 1372 CE1 PHE A 90 2.814 -8.209 6.971 1.00 0.00 C ATOM 1373 CE2 PHE A 90 2.024 -10.020 5.625 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.069 -9.279 6.138 1.00 0.00 C ATOM 0 H PHE A 90 -3.670 -7.563 6.112 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.053 -6.269 6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.015 -7.876 8.143 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.588 -9.158 7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.320 -7.043 7.947 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.090 -10.271 5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.632 -7.629 7.372 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.223 -10.858 4.974 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.087 -9.537 5.887 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.807 -6.830 3.924 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.430 -7.176 2.554 1.00 0.00 C ATOM 1386 C HIS A 91 1.058 -7.509 2.510 1.00 0.00 C ATOM 1387 O HIS A 91 1.816 -7.083 3.383 1.00 0.00 O ATOM 1388 CB HIS A 91 -0.710 -6.009 1.591 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.155 -5.796 1.267 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -2.866 -4.668 1.613 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -3.015 -6.579 0.569 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -4.106 -4.798 1.126 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -4.247 -5.941 0.484 1.00 0.00 N ATOM 0 H HIS A 91 -0.513 -5.896 4.209 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.023 -8.036 2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.311 -5.093 2.027 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.166 -6.184 0.663 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -2.510 -3.874 2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.780 -7.545 0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.888 -4.063 1.244 1.00 0.00 H new ATOM 1401 N HIS A 92 1.470 -8.274 1.505 1.00 0.00 N ATOM 1402 CA HIS A 92 2.887 -8.528 1.271 1.00 0.00 C ATOM 1403 C HIS A 92 3.127 -8.857 -0.198 1.00 0.00 C ATOM 1404 O HIS A 92 2.250 -9.398 -0.867 1.00 0.00 O ATOM 1405 CB HIS A 92 3.413 -9.664 2.167 1.00 0.00 C ATOM 1406 CG HIS A 92 2.923 -11.034 1.796 1.00 0.00 C ATOM 1407 ND1 HIS A 92 3.620 -11.902 0.984 1.00 0.00 N ATOM 1408 CD2 HIS A 92 1.795 -11.692 2.164 1.00 0.00 C ATOM 1409 CE1 HIS A 92 2.914 -13.032 0.886 1.00 0.00 C ATOM 1410 NE2 HIS A 92 1.798 -12.960 1.586 1.00 0.00 N ATOM 0 H HIS A 92 0.844 -8.728 0.840 1.00 0.00 H new ATOM 0 HA HIS A 92 3.436 -7.622 1.528 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.502 -9.661 2.132 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.126 -9.457 3.198 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.019 -11.296 2.803 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.217 -13.893 0.309 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.085 -13.683 1.684 1.00 0.00 H new ATOM 1418 N TRP A 93 4.307 -8.513 -0.697 1.00 0.00 N ATOM 1419 CA TRP A 93 4.677 -8.801 -2.079 1.00 0.00 C ATOM 1420 C TRP A 93 6.121 -9.301 -2.141 1.00 0.00 C ATOM 1421 O TRP A 93 6.992 -8.809 -1.418 1.00 0.00 O ATOM 1422 CB TRP A 93 4.465 -7.569 -2.979 1.00 0.00 C ATOM 1423 CG TRP A 93 5.127 -6.307 -2.495 1.00 0.00 C ATOM 1424 CD1 TRP A 93 6.352 -5.823 -2.862 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.585 -5.360 -1.564 1.00 0.00 C ATOM 1426 NE1 TRP A 93 6.597 -4.631 -2.224 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.532 -4.330 -1.416 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.391 -5.285 -0.838 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 5.325 -3.239 -0.577 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 3.186 -4.202 -0.003 1.00 0.00 C ATOM 1431 CH2 TRP A 93 4.149 -3.191 0.122 1.00 0.00 C ATOM 0 H TRP A 93 5.030 -8.031 -0.162 1.00 0.00 H new ATOM 0 HA TRP A 93 4.027 -9.589 -2.458 1.00 0.00 H new ATOM 0 HB2 TRP A 93 4.839 -7.798 -3.977 1.00 0.00 H new ATOM 0 HB3 TRP A 93 3.395 -7.387 -3.074 1.00 0.00 H new ATOM 0 HD1 TRP A 93 7.028 -6.307 -3.552 1.00 0.00 H new ATOM 0 HE1 TRP A 93 7.436 -4.062 -2.334 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.643 -6.059 -0.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.065 -2.459 -0.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 2.268 -4.134 0.562 1.00 0.00 H new ATOM 0 HH2 TRP A 93 3.959 -2.358 0.783 1.00 0.00 H new ATOM 1442 N LYS A 94 6.362 -10.290 -2.993 1.00 0.00 N ATOM 1443 CA LYS A 94 7.657 -10.960 -3.067 1.00 0.00 C ATOM 1444 C LYS A 94 8.385 -10.609 -4.365 1.00 0.00 C ATOM 1445 O LYS A 94 7.940 -10.980 -5.450 1.00 0.00 O ATOM 1446 CB LYS A 94 7.459 -12.481 -2.965 1.00 0.00 C ATOM 1447 CG LYS A 94 8.745 -13.295 -3.125 1.00 0.00 C ATOM 1448 CD LYS A 94 8.481 -14.800 -3.082 1.00 0.00 C ATOM 1449 CE LYS A 94 7.500 -15.241 -4.166 1.00 0.00 C ATOM 1450 NZ LYS A 94 7.322 -16.717 -4.184 1.00 0.00 N ATOM 0 H LYS A 94 5.670 -10.650 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 94 8.271 -10.618 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.013 -12.714 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.747 -12.795 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.221 -13.038 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.444 -13.027 -2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.422 -15.337 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.085 -15.071 -2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.536 -14.761 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.860 -14.907 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.649 -16.976 -4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.238 -17.175 -4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.955 -17.034 -3.264 1.00 0.00 H new ATOM 1464 N VAL A 95 9.494 -9.881 -4.243 1.00 0.00 N ATOM 1465 CA VAL A 95 10.367 -9.570 -5.377 1.00 0.00 C ATOM 1466 C VAL A 95 11.826 -9.693 -4.941 1.00 0.00 C ATOM 1467 O VAL A 95 12.156 -9.392 -3.792 1.00 0.00 O ATOM 1468 CB VAL A 95 10.110 -8.148 -5.956 1.00 0.00 C ATOM 1469 CG1 VAL A 95 8.725 -8.057 -6.598 1.00 0.00 C ATOM 1470 CG2 VAL A 95 10.273 -7.081 -4.877 1.00 0.00 C ATOM 0 H VAL A 95 9.814 -9.490 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 95 10.144 -10.285 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 95 10.855 -7.966 -6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.573 -7.053 -6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.651 -8.782 -7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.962 -8.271 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.088 -6.097 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.561 -7.265 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.287 -7.118 -4.479 1.00 0.00 H new ATOM 1480 N ASP A 96 12.685 -10.171 -5.847 1.00 0.00 N ATOM 1481 CA ASP A 96 14.110 -10.379 -5.544 1.00 0.00 C ATOM 1482 C ASP A 96 14.278 -11.337 -4.361 1.00 0.00 C ATOM 1483 O ASP A 96 15.286 -11.289 -3.648 1.00 0.00 O ATOM 1484 CB ASP A 96 14.811 -9.043 -5.239 1.00 0.00 C ATOM 1485 CG ASP A 96 14.940 -8.147 -6.459 1.00 0.00 C ATOM 1486 OD1 ASP A 96 15.917 -8.309 -7.222 1.00 0.00 O ATOM 1487 OD2 ASP A 96 14.074 -7.270 -6.660 1.00 0.00 O ATOM 0 H ASP A 96 12.420 -10.423 -6.799 1.00 0.00 H new ATOM 0 HA ASP A 96 14.575 -10.821 -6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.254 -8.515 -4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 96 15.804 -9.244 -4.836 1.00 0.00 H new ATOM 1492 N ASN A 97 13.278 -12.200 -4.166 1.00 0.00 N ATOM 1493 CA ASN A 97 13.244 -13.156 -3.047 1.00 0.00 C ATOM 1494 C ASN A 97 13.073 -12.449 -1.703 1.00 0.00 C ATOM 1495 O ASN A 97 13.036 -13.100 -0.656 1.00 0.00 O ATOM 1496 CB ASN A 97 14.498 -14.050 -3.017 1.00 0.00 C ATOM 1497 CG ASN A 97 14.511 -15.092 -4.122 1.00 0.00 C ATOM 1498 OD1 ASN A 97 13.995 -14.868 -5.218 1.00 0.00 O ATOM 1499 ND2 ASN A 97 15.087 -16.249 -3.832 1.00 0.00 N ATOM 0 H ASN A 97 12.465 -12.259 -4.779 1.00 0.00 H new ATOM 0 HA ASN A 97 12.375 -13.793 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.386 -13.424 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.557 -14.552 -2.051 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.114 -16.994 -4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.503 -16.395 -2.912 1.00 0.00 H new ATOM 1506 N ARG A 98 12.952 -11.126 -1.729 1.00 0.00 N ATOM 1507 CA ARG A 98 12.744 -10.351 -0.513 1.00 0.00 C ATOM 1508 C ARG A 98 11.247 -10.228 -0.237 1.00 0.00 C ATOM 1509 O ARG A 98 10.460 -9.955 -1.149 1.00 0.00 O ATOM 1510 CB ARG A 98 13.380 -8.958 -0.633 1.00 0.00 C ATOM 1511 CG ARG A 98 14.869 -8.980 -0.973 1.00 0.00 C ATOM 1512 CD ARG A 98 15.476 -7.580 -0.946 1.00 0.00 C ATOM 1513 NE ARG A 98 16.867 -7.571 -1.411 1.00 0.00 N ATOM 1514 CZ ARG A 98 17.923 -7.320 -0.635 1.00 0.00 C ATOM 1515 NH1 ARG A 98 17.774 -7.137 0.671 1.00 0.00 N ATOM 1516 NH2 ARG A 98 19.133 -7.263 -1.169 1.00 0.00 N ATOM 0 H ARG A 98 12.995 -10.568 -2.582 1.00 0.00 H new ATOM 0 HA ARG A 98 13.224 -10.868 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.851 -8.394 -1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.241 -8.424 0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 98 15.395 -9.618 -0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 98 15.010 -9.419 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.881 -6.916 -1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.431 -7.186 0.069 1.00 0.00 H new ATOM 0 HE ARG A 98 17.039 -7.771 -2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.846 -7.188 1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 98 18.588 -6.946 1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.256 -7.411 -2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 98 19.942 -7.071 -0.579 1.00 0.00 H new ATOM 1530 N LYS A 99 10.859 -10.449 1.012 1.00 0.00 N ATOM 1531 CA LYS A 99 9.457 -10.406 1.403 1.00 0.00 C ATOM 1532 C LYS A 99 9.093 -9.025 1.931 1.00 0.00 C ATOM 1533 O LYS A 99 9.352 -8.701 3.091 1.00 0.00 O ATOM 1534 CB LYS A 99 9.145 -11.478 2.462 1.00 0.00 C ATOM 1535 CG LYS A 99 9.167 -12.913 1.936 1.00 0.00 C ATOM 1536 CD LYS A 99 10.571 -13.367 1.545 1.00 0.00 C ATOM 1537 CE LYS A 99 10.580 -14.785 0.990 1.00 0.00 C ATOM 1538 NZ LYS A 99 11.953 -15.233 0.647 1.00 0.00 N ATOM 0 H LYS A 99 11.501 -10.661 1.776 1.00 0.00 H new ATOM 0 HA LYS A 99 8.856 -10.615 0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.868 -11.391 3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.162 -11.275 2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.771 -13.583 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.509 -12.990 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.978 -12.684 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 99 11.224 -13.315 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.148 -15.465 1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.950 -14.832 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.946 -16.254 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.285 -14.721 -0.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.591 -15.038 1.445 1.00 0.00 H new ATOM 1552 N PHE A 100 8.515 -8.210 1.061 1.00 0.00 N ATOM 1553 CA PHE A 100 8.015 -6.901 1.450 1.00 0.00 C ATOM 1554 C PHE A 100 6.641 -7.066 2.082 1.00 0.00 C ATOM 1555 O PHE A 100 5.844 -7.883 1.625 1.00 0.00 O ATOM 1556 CB PHE A 100 7.900 -5.975 0.238 1.00 0.00 C ATOM 1557 CG PHE A 100 9.202 -5.653 -0.458 1.00 0.00 C ATOM 1558 CD1 PHE A 100 9.991 -6.660 -0.996 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.625 -4.338 -0.591 1.00 0.00 C ATOM 1560 CE1 PHE A 100 11.172 -6.361 -1.645 1.00 0.00 C ATOM 1561 CE2 PHE A 100 10.805 -4.035 -1.241 1.00 0.00 C ATOM 1562 CZ PHE A 100 11.579 -5.048 -1.769 1.00 0.00 C ATOM 0 H PHE A 100 8.380 -8.435 0.075 1.00 0.00 H new ATOM 0 HA PHE A 100 8.713 -6.457 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.225 -6.433 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.438 -5.041 0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 100 9.677 -7.690 -0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.023 -3.541 -0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 100 11.778 -7.155 -2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 100 11.122 -3.007 -1.336 1.00 0.00 H new ATOM 0 HZ PHE A 100 12.502 -4.814 -2.279 1.00 0.00 H new ATOM 1572 N GLY A 101 6.371 -6.300 3.123 1.00 0.00 N ATOM 1573 CA GLY A 101 5.081 -6.355 3.782 1.00 0.00 C ATOM 1574 C GLY A 101 4.572 -4.980 4.152 1.00 0.00 C ATOM 1575 O GLY A 101 5.352 -4.035 4.281 1.00 0.00 O ATOM 0 H GLY A 101 7.027 -5.633 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.360 -6.844 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.160 -6.966 4.681 1.00 0.00 H new ATOM 1579 N LEU A 102 3.264 -4.864 4.324 1.00 0.00 N ATOM 1580 CA LEU A 102 2.641 -3.610 4.717 1.00 0.00 C ATOM 1581 C LEU A 102 1.478 -3.909 5.655 1.00 0.00 C ATOM 1582 O LEU A 102 0.554 -4.648 5.300 1.00 0.00 O ATOM 1583 CB LEU A 102 2.172 -2.832 3.469 1.00 0.00 C ATOM 1584 CG LEU A 102 1.841 -1.336 3.681 1.00 0.00 C ATOM 1585 CD1 LEU A 102 1.803 -0.602 2.345 1.00 0.00 C ATOM 1586 CD2 LEU A 102 0.512 -1.153 4.416 1.00 0.00 C ATOM 0 H LEU A 102 2.607 -5.634 4.196 1.00 0.00 H new ATOM 0 HA LEU A 102 3.363 -2.983 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.948 -2.907 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.286 -3.326 3.071 1.00 0.00 H new ATOM 0 HG LEU A 102 2.631 -0.911 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.569 0.449 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.774 -0.683 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.039 -1.046 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.312 -0.090 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.291 -1.604 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.567 -1.635 5.392 1.00 0.00 H new ATOM 1598 N THR A 103 1.545 -3.355 6.857 1.00 0.00 N ATOM 1599 CA THR A 103 0.525 -3.575 7.871 1.00 0.00 C ATOM 1600 C THR A 103 -0.299 -2.306 8.083 1.00 0.00 C ATOM 1601 O THR A 103 0.249 -1.202 8.146 1.00 0.00 O ATOM 1602 CB THR A 103 1.165 -4.005 9.209 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.051 -5.111 8.984 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.104 -4.401 10.231 1.00 0.00 C ATOM 0 H THR A 103 2.304 -2.743 7.156 1.00 0.00 H new ATOM 0 HA THR A 103 -0.129 -4.374 7.521 1.00 0.00 H new ATOM 0 HB THR A 103 1.721 -3.156 9.608 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.334 -5.484 9.845 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.588 -4.698 11.161 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.554 -3.553 10.419 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.481 -5.235 9.844 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.612 -2.469 8.178 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.512 -1.351 8.413 1.00 0.00 C ATOM 1614 C PHE A 104 -2.630 -1.083 9.908 1.00 0.00 C ATOM 1615 O PHE A 104 -2.696 -2.015 10.714 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.889 -1.638 7.805 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.855 -1.805 6.305 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.336 -0.804 5.498 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -4.337 -2.960 5.703 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -3.302 -0.948 4.127 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -4.304 -3.109 4.331 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.787 -2.102 3.541 1.00 0.00 C ATOM 0 H PHE A 104 -2.079 -3.372 8.095 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.105 -0.462 7.931 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.296 -2.543 8.255 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.567 -0.823 8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.954 0.100 5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.743 -3.751 6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.896 -0.159 3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.682 -4.013 3.876 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.762 -2.216 2.467 1.00 0.00 H new ATOM 1632 N GLN A 105 -2.651 0.191 10.274 1.00 0.00 N ATOM 1633 CA GLN A 105 -2.663 0.588 11.678 1.00 0.00 C ATOM 1634 C GLN A 105 -4.095 0.793 12.159 1.00 0.00 C ATOM 1635 O GLN A 105 -4.469 0.349 13.246 1.00 0.00 O ATOM 1636 CB GLN A 105 -1.847 1.876 11.863 1.00 0.00 C ATOM 1637 CG GLN A 105 -1.709 2.332 13.316 1.00 0.00 C ATOM 1638 CD GLN A 105 -0.886 1.382 14.182 1.00 0.00 C ATOM 1639 OE1 GLN A 105 0.097 0.721 13.587 1.00 0.00 O flip ATOM 1640 NE2 GLN A 105 -1.124 1.259 15.384 1.00 0.00 N flip ATOM 0 H GLN A 105 -2.660 0.971 9.617 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.211 -0.205 12.273 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -0.851 1.724 11.446 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.315 2.674 11.287 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.247 3.319 13.335 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.703 2.437 13.751 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.889 1.784 15.809 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.556 0.633 15.955 1.00 0.00 H new ATOM 1649 N SER A 106 -4.898 1.441 11.324 1.00 0.00 N ATOM 1650 CA SER A 106 -6.275 1.771 11.679 1.00 0.00 C ATOM 1651 C SER A 106 -7.212 1.337 10.550 1.00 0.00 C ATOM 1652 O SER A 106 -6.827 1.369 9.381 1.00 0.00 O ATOM 1653 CB SER A 106 -6.401 3.287 11.927 1.00 0.00 C ATOM 1654 OG SER A 106 -5.123 3.880 12.110 1.00 0.00 O ATOM 0 H SER A 106 -4.619 1.750 10.393 1.00 0.00 H new ATOM 0 HA SER A 106 -6.552 1.244 12.592 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.906 3.757 11.083 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.018 3.465 12.808 1.00 0.00 H new ATOM 0 HG SER A 106 -5.228 4.842 12.264 1.00 0.00 H new ATOM 1660 N PRO A 107 -8.456 0.929 10.874 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.435 0.513 9.860 1.00 0.00 C ATOM 1662 C PRO A 107 -9.630 1.582 8.782 1.00 0.00 C ATOM 1663 O PRO A 107 -10.011 1.279 7.649 1.00 0.00 O ATOM 1664 CB PRO A 107 -10.731 0.289 10.665 1.00 0.00 C ATOM 1665 CG PRO A 107 -10.487 0.922 11.997 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.006 0.832 12.236 1.00 0.00 C ATOM 0 HA PRO A 107 -9.114 -0.377 9.319 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.587 0.743 10.165 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.950 -0.774 10.769 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.820 1.960 12.002 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.040 0.406 12.781 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.649 1.639 12.876 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.729 -0.105 12.719 1.00 0.00 H new ATOM 1674 N ALA A 108 -9.353 2.835 9.146 1.00 0.00 N ATOM 1675 CA ALA A 108 -9.429 3.952 8.210 1.00 0.00 C ATOM 1676 C ALA A 108 -8.430 3.777 7.064 1.00 0.00 C ATOM 1677 O ALA A 108 -8.820 3.740 5.891 1.00 0.00 O ATOM 1678 CB ALA A 108 -9.181 5.269 8.940 1.00 0.00 C ATOM 0 H ALA A 108 -9.072 3.100 10.090 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.431 3.971 7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.240 6.095 8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.935 5.402 9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.191 5.252 9.395 1.00 0.00 H new ATOM 1684 N ASP A 109 -7.144 3.649 7.410 1.00 0.00 N ATOM 1685 CA ASP A 109 -6.090 3.483 6.406 1.00 0.00 C ATOM 1686 C ASP A 109 -6.182 2.112 5.754 1.00 0.00 C ATOM 1687 O ASP A 109 -5.826 1.949 4.586 1.00 0.00 O ATOM 1688 CB ASP A 109 -4.688 3.713 7.003 1.00 0.00 C ATOM 1689 CG ASP A 109 -4.398 2.903 8.261 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -4.028 1.718 8.157 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -4.524 3.467 9.371 1.00 0.00 O ATOM 0 H ASP A 109 -6.810 3.657 8.374 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.244 4.243 5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.941 3.469 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.574 4.772 7.233 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.679 1.135 6.506 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.930 -0.195 5.969 1.00 0.00 C ATOM 1698 C ALA A 110 -7.872 -0.112 4.772 1.00 0.00 C ATOM 1699 O ALA A 110 -7.521 -0.514 3.664 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.510 -1.107 7.047 1.00 0.00 C ATOM 0 H ALA A 110 -6.916 1.242 7.492 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.983 -0.620 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.691 -2.097 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.805 -1.187 7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.449 -0.689 7.410 1.00 0.00 H new ATOM 1706 N ARG A 111 -9.058 0.447 5.002 1.00 0.00 N ATOM 1707 CA ARG A 111 -10.067 0.589 3.957 1.00 0.00 C ATOM 1708 C ARG A 111 -9.536 1.427 2.795 1.00 0.00 C ATOM 1709 O ARG A 111 -9.621 1.021 1.634 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.329 1.249 4.527 1.00 0.00 C ATOM 1711 CG ARG A 111 -12.451 1.439 3.503 1.00 0.00 C ATOM 1712 CD ARG A 111 -13.365 0.221 3.394 1.00 0.00 C ATOM 1713 NE ARG A 111 -12.648 -1.021 3.093 1.00 0.00 N ATOM 1714 CZ ARG A 111 -13.242 -2.209 2.983 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -14.565 -2.306 3.078 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -12.512 -3.298 2.778 1.00 0.00 N ATOM 0 H ARG A 111 -9.344 0.811 5.911 1.00 0.00 H new ATOM 0 HA ARG A 111 -10.311 -0.407 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.703 0.642 5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.062 2.221 4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -13.045 2.310 3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.014 1.648 2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -13.909 0.100 4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -14.107 0.401 2.616 1.00 0.00 H new ATOM 0 HE ARG A 111 -11.638 -0.974 2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -15.128 -1.470 3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -15.017 -3.216 2.993 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -11.497 -3.225 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -12.966 -4.208 2.694 1.00 0.00 H new ATOM 1730 N ALA A 112 -8.985 2.591 3.127 1.00 0.00 N ATOM 1731 CA ALA A 112 -8.534 3.553 2.122 1.00 0.00 C ATOM 1732 C ALA A 112 -7.441 2.964 1.228 1.00 0.00 C ATOM 1733 O ALA A 112 -7.587 2.905 0.001 1.00 0.00 O ATOM 1734 CB ALA A 112 -8.034 4.822 2.801 1.00 0.00 C ATOM 0 H ALA A 112 -8.839 2.894 4.090 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.385 3.796 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.700 5.532 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.842 5.265 3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.202 4.578 3.461 1.00 0.00 H new ATOM 1740 N PHE A 113 -6.355 2.518 1.849 1.00 0.00 N ATOM 1741 CA PHE A 113 -5.200 2.037 1.104 1.00 0.00 C ATOM 1742 C PHE A 113 -5.537 0.745 0.362 1.00 0.00 C ATOM 1743 O PHE A 113 -5.078 0.541 -0.761 1.00 0.00 O ATOM 1744 CB PHE A 113 -3.997 1.831 2.036 1.00 0.00 C ATOM 1745 CG PHE A 113 -2.684 1.669 1.303 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -1.974 2.783 0.873 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.162 0.410 1.042 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -0.774 2.644 0.201 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -0.964 0.266 0.370 1.00 0.00 C ATOM 1750 CZ PHE A 113 -0.270 1.384 -0.052 1.00 0.00 C ATOM 0 H PHE A 113 -6.251 2.480 2.863 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.932 2.794 0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.923 2.682 2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.171 0.948 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.365 3.771 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.699 -0.468 1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.232 3.519 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.570 -0.720 0.174 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.666 1.272 -0.579 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.356 -0.112 0.978 1.00 0.00 N ATOM 1761 CA ASP A 114 -6.780 -1.362 0.335 1.00 0.00 C ATOM 1762 C ASP A 114 -7.517 -1.051 -0.955 1.00 0.00 C ATOM 1763 O ASP A 114 -7.239 -1.632 -2.003 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.708 -2.165 1.244 1.00 0.00 C ATOM 1765 CG ASP A 114 -7.816 -3.627 0.824 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -8.410 -3.912 -0.240 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -7.316 -4.496 1.562 1.00 0.00 O ATOM 0 H ASP A 114 -6.737 0.033 1.913 1.00 0.00 H new ATOM 0 HA ASP A 114 -5.886 -1.951 0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -7.343 -2.111 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.700 -1.714 1.235 1.00 0.00 H new ATOM 1772 N ARG A 115 -8.474 -0.136 -0.851 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.201 0.357 -2.020 1.00 0.00 C ATOM 1774 C ARG A 115 -8.214 0.814 -3.092 1.00 0.00 C ATOM 1775 O ARG A 115 -8.363 0.488 -4.276 1.00 0.00 O ATOM 1776 CB ARG A 115 -10.136 1.514 -1.638 1.00 0.00 C ATOM 1777 CG ARG A 115 -10.845 2.142 -2.836 1.00 0.00 C ATOM 1778 CD ARG A 115 -11.739 3.307 -2.432 1.00 0.00 C ATOM 1779 NE ARG A 115 -12.323 3.967 -3.601 1.00 0.00 N ATOM 1780 CZ ARG A 115 -13.530 4.533 -3.620 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -14.297 4.511 -2.534 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -13.970 5.114 -4.727 1.00 0.00 N ATOM 0 H ARG A 115 -8.767 0.282 0.032 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.809 -0.457 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -10.883 1.150 -0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.559 2.282 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -10.102 2.489 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.445 1.384 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -12.535 2.947 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.159 4.029 -1.857 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.770 3.996 -4.458 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -13.963 4.060 -1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -15.220 4.945 -2.553 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -13.385 5.128 -5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -14.893 5.547 -4.743 1.00 0.00 H new ATOM 1796 N GLY A 116 -7.200 1.559 -2.661 1.00 0.00 N ATOM 1797 CA GLY A 116 -6.147 1.988 -3.564 1.00 0.00 C ATOM 1798 C GLY A 116 -5.412 0.814 -4.187 1.00 0.00 C ATOM 1799 O GLY A 116 -5.083 0.839 -5.370 1.00 0.00 O ATOM 0 H GLY A 116 -7.089 1.874 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -6.576 2.606 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -5.437 2.612 -3.021 1.00 0.00 H new ATOM 1803 N VAL A 117 -5.175 -0.225 -3.385 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.468 -1.421 -3.841 1.00 0.00 C ATOM 1805 C VAL A 117 -5.279 -2.171 -4.894 1.00 0.00 C ATOM 1806 O VAL A 117 -4.790 -2.429 -5.991 1.00 0.00 O ATOM 1807 CB VAL A 117 -4.144 -2.384 -2.667 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -3.565 -3.703 -3.181 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -3.181 -1.728 -1.678 1.00 0.00 C ATOM 0 H VAL A 117 -5.466 -0.261 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.531 -1.079 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.077 -2.602 -2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.347 -4.358 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.288 -4.186 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.646 -3.506 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.968 -2.421 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.253 -1.472 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.634 -0.823 -1.275 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.522 -2.509 -4.559 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.380 -3.276 -5.460 1.00 0.00 C ATOM 1821 C ARG A 118 -7.597 -2.518 -6.773 1.00 0.00 C ATOM 1822 O ARG A 118 -7.610 -3.119 -7.850 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.722 -3.612 -4.781 1.00 0.00 C ATOM 1824 CG ARG A 118 -9.541 -2.394 -4.366 1.00 0.00 C ATOM 1825 CD ARG A 118 -10.797 -2.785 -3.590 1.00 0.00 C ATOM 1826 NE ARG A 118 -10.486 -3.428 -2.309 1.00 0.00 N ATOM 1827 CZ ARG A 118 -11.403 -3.945 -1.487 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -12.692 -3.884 -1.798 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -11.025 -4.509 -0.351 1.00 0.00 N ATOM 0 H ARG A 118 -6.958 -2.264 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 118 -6.881 -4.216 -5.694 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.317 -4.220 -5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.526 -4.221 -3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.926 -1.736 -3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.825 -1.829 -5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -11.401 -1.896 -3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -11.399 -3.462 -4.196 1.00 0.00 H new ATOM 0 HE ARG A 118 -9.507 -3.484 -2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -12.986 -3.441 -2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -13.388 -4.280 -1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -10.036 -4.548 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -11.723 -4.905 0.279 1.00 0.00 H new ATOM 1843 N LYS A 119 -7.735 -1.194 -6.683 1.00 0.00 N ATOM 1844 CA LYS A 119 -7.842 -0.357 -7.875 1.00 0.00 C ATOM 1845 C LYS A 119 -6.519 -0.328 -8.632 1.00 0.00 C ATOM 1846 O LYS A 119 -6.502 -0.362 -9.861 1.00 0.00 O ATOM 1847 CB LYS A 119 -8.290 1.071 -7.516 1.00 0.00 C ATOM 1848 CG LYS A 119 -9.803 1.281 -7.575 1.00 0.00 C ATOM 1849 CD LYS A 119 -10.357 1.022 -8.979 1.00 0.00 C ATOM 1850 CE LYS A 119 -9.670 1.890 -10.033 1.00 0.00 C ATOM 1851 NZ LYS A 119 -10.106 1.547 -11.413 1.00 0.00 N ATOM 0 H LYS A 119 -7.775 -0.682 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.603 -0.794 -8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.939 1.309 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -7.809 1.774 -8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.291 0.615 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.041 2.301 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.225 -0.030 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -11.429 1.220 -8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.888 2.940 -9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.590 1.768 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.287 1.577 -12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -10.517 0.592 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -10.820 2.233 -11.732 1.00 0.00 H new ATOM 1865 N ALA A 120 -5.412 -0.276 -7.896 1.00 0.00 N ATOM 1866 CA ALA A 120 -4.087 -0.291 -8.507 1.00 0.00 C ATOM 1867 C ALA A 120 -3.888 -1.575 -9.301 1.00 0.00 C ATOM 1868 O ALA A 120 -3.403 -1.550 -10.427 1.00 0.00 O ATOM 1869 CB ALA A 120 -3.001 -0.139 -7.449 1.00 0.00 C ATOM 0 H ALA A 120 -5.407 -0.223 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.012 0.555 -9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.022 -0.153 -7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.135 0.807 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.069 -0.962 -6.737 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.291 -2.697 -8.706 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.196 -3.999 -9.357 1.00 0.00 C ATOM 1877 C ILE A 121 -5.068 -4.030 -10.610 1.00 0.00 C ATOM 1878 O ILE A 121 -4.629 -4.484 -11.670 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.618 -5.149 -8.399 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.706 -5.184 -7.157 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -4.598 -6.500 -9.121 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -2.242 -5.435 -7.465 1.00 0.00 C ATOM 0 H ILE A 121 -4.689 -2.728 -7.767 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.153 -4.152 -9.635 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.639 -4.957 -8.071 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.796 -4.236 -6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.062 -5.962 -6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -4.897 -7.287 -8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.291 -6.474 -9.962 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.591 -6.702 -9.487 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -1.671 -5.444 -6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.135 -6.397 -7.966 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -1.866 -4.644 -8.114 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.295 -3.522 -10.490 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.219 -3.463 -11.618 1.00 0.00 C ATOM 1896 C GLU A 122 -6.606 -2.676 -12.777 1.00 0.00 C ATOM 1897 O GLU A 122 -6.561 -3.156 -13.912 1.00 0.00 O ATOM 1898 CB GLU A 122 -8.554 -2.832 -11.189 1.00 0.00 C ATOM 1899 CG GLU A 122 -9.535 -2.619 -12.341 1.00 0.00 C ATOM 1900 CD GLU A 122 -10.914 -2.178 -11.875 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -11.085 -0.990 -11.529 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -11.837 -3.020 -11.854 1.00 0.00 O ATOM 0 H GLU A 122 -6.671 -3.145 -9.620 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.410 -4.481 -11.957 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.022 -3.470 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.355 -1.872 -10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.131 -1.869 -13.021 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -9.628 -3.546 -12.907 1.00 0.00 H new ATOM 1909 N ASP A 123 -6.116 -1.480 -12.469 1.00 0.00 N ATOM 1910 CA ASP A 123 -5.520 -0.596 -13.471 1.00 0.00 C ATOM 1911 C ASP A 123 -4.133 -1.085 -13.886 1.00 0.00 C ATOM 1912 O ASP A 123 -3.597 -0.665 -14.912 1.00 0.00 O ATOM 1913 CB ASP A 123 -5.432 0.840 -12.930 1.00 0.00 C ATOM 1914 CG ASP A 123 -6.787 1.527 -12.813 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -7.797 0.848 -12.529 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -6.854 2.759 -13.015 1.00 0.00 O ATOM 0 H ASP A 123 -6.119 -1.095 -11.524 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.162 -0.608 -14.352 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.956 0.822 -11.950 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -4.790 1.429 -13.585 1.00 0.00 H new ATOM 1921 N LEU A 124 -3.546 -1.958 -13.074 1.00 0.00 N ATOM 1922 CA LEU A 124 -2.251 -2.547 -13.393 1.00 0.00 C ATOM 1923 C LEU A 124 -2.419 -3.600 -14.484 1.00 0.00 C ATOM 1924 O LEU A 124 -1.681 -3.614 -15.470 1.00 0.00 O ATOM 1925 CB LEU A 124 -1.615 -3.180 -12.145 1.00 0.00 C ATOM 1926 CG LEU A 124 -0.188 -3.719 -12.334 1.00 0.00 C ATOM 1927 CD1 LEU A 124 0.778 -2.584 -12.674 1.00 0.00 C ATOM 1928 CD2 LEU A 124 0.276 -4.472 -11.087 1.00 0.00 C ATOM 0 H LEU A 124 -3.947 -2.273 -12.190 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.590 -1.757 -13.750 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.602 -2.437 -11.348 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.252 -3.997 -11.808 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.196 -4.419 -13.169 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.782 -2.987 -12.804 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.460 -2.100 -13.597 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.782 -1.855 -11.864 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.288 -4.845 -11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.265 -3.798 -10.230 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.394 -5.310 -10.898 1.00 0.00 H new ATOM 1940 N ILE A 125 -3.407 -4.473 -14.295 1.00 0.00 N ATOM 1941 CA ILE A 125 -3.716 -5.524 -15.260 1.00 0.00 C ATOM 1942 C ILE A 125 -4.321 -4.920 -16.526 1.00 0.00 C ATOM 1943 O ILE A 125 -3.996 -5.334 -17.646 1.00 0.00 O ATOM 1944 CB ILE A 125 -4.700 -6.562 -14.662 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -4.097 -7.206 -13.400 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -5.061 -7.633 -15.698 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -5.035 -8.161 -12.690 1.00 0.00 C ATOM 0 H ILE A 125 -4.012 -4.471 -13.474 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.784 -6.031 -15.508 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.617 -6.044 -14.382 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.189 -7.742 -13.676 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.803 -6.418 -12.707 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -5.752 -8.350 -15.255 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.531 -7.161 -16.561 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.156 -8.151 -16.016 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -4.538 -8.573 -11.812 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.933 -7.626 -12.381 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -5.309 -8.971 -13.366 1.00 0.00 H new ATOM 1959 N GLU A 126 -5.186 -3.930 -16.337 1.00 0.00 N ATOM 1960 CA GLU A 126 -5.852 -3.259 -17.447 1.00 0.00 C ATOM 1961 C GLU A 126 -4.934 -2.156 -17.990 1.00 0.00 C ATOM 1962 O GLU A 126 -4.909 -1.053 -17.404 1.00 0.00 O ATOM 1963 CB GLU A 126 -7.207 -2.682 -16.975 1.00 0.00 C ATOM 1964 CG GLU A 126 -8.250 -2.487 -18.080 1.00 0.00 C ATOM 1965 CD GLU A 126 -7.856 -1.458 -19.130 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -7.906 -0.244 -18.833 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -7.509 -1.856 -20.264 1.00 0.00 O ATOM 1968 OXT GLU A 126 -4.221 -2.408 -18.983 1.00 0.00 O ATOM 0 H GLU A 126 -5.444 -3.572 -15.417 1.00 0.00 H new ATOM 0 HA GLU A 126 -6.053 -3.970 -18.249 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.623 -3.346 -16.217 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -7.027 -1.721 -16.493 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -8.426 -3.444 -18.572 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.193 -2.184 -17.625 1.00 0.00 H new