USER MOD reduce.3.24.130724 H: found=0, std=0, add=349, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 349 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 NoAdj-H: A 373 HIS HE2 : A 373 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 377 HIS HE2 : A 377 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 344 SER OG : rot -170:sc= -0.0106 USER MOD Single : A 345 SER OG : rot 180:sc= 0 USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 348 SER OG : rot -49:sc= 0.181 USER MOD Single : A 351 THR OG1 : rot 54:sc= 0.453 USER MOD Single : A 353 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.635) USER MOD Single : A 354 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.4) USER MOD Single : A 362 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00081) USER MOD Single : A 368 TYR OH : rot 180:sc= 0 USER MOD Single : A 369 HIS : no HD1:sc= -0.0344 X(o=-0.034,f=-0.0016) USER MOD Single : A 371 ASN : amide:sc= -0.355 K(o=-0.36,f=-3.9!) USER MOD Single : A 374 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 385 SER OG : rot 180:sc= 0 USER MOD Single : A 388 SER OG : rot 49:sc= 0.969 USER MOD Single : A 389 SER OG : rot 56:sc= 0.0516 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 343 16.282 -12.411 -8.822 1.00 0.00 N ATOM 2 CA GLY A 343 17.128 -13.587 -8.905 1.00 0.00 C ATOM 3 C GLY A 343 16.794 -14.457 -10.100 1.00 0.00 C ATOM 4 O GLY A 343 17.675 -14.809 -10.885 1.00 0.00 O ATOM 0 HA2 GLY A 343 18.171 -13.277 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 343 17.022 -14.173 -7.992 1.00 0.00 H new ATOM 8 N SER A 344 15.519 -14.807 -10.239 1.00 0.00 N ATOM 9 CA SER A 344 15.073 -15.646 -11.345 1.00 0.00 C ATOM 10 C SER A 344 15.188 -14.903 -12.672 1.00 0.00 C ATOM 11 O SER A 344 14.778 -13.749 -12.787 1.00 0.00 O ATOM 12 CB SER A 344 13.627 -16.093 -11.121 1.00 0.00 C ATOM 13 OG SER A 344 12.997 -16.416 -12.350 1.00 0.00 O ATOM 0 H SER A 344 14.777 -14.523 -9.600 1.00 0.00 H new ATOM 0 HA SER A 344 15.716 -16.525 -11.385 1.00 0.00 H new ATOM 0 HB2 SER A 344 13.609 -16.960 -10.461 1.00 0.00 H new ATOM 0 HB3 SER A 344 13.071 -15.300 -10.621 1.00 0.00 H new ATOM 0 HG SER A 344 12.037 -16.545 -12.201 1.00 0.00 H new ATOM 19 N SER A 345 15.751 -15.575 -13.672 1.00 0.00 N ATOM 20 CA SER A 345 15.925 -14.978 -14.991 1.00 0.00 C ATOM 21 C SER A 345 14.924 -15.558 -15.986 1.00 0.00 C ATOM 22 O SER A 345 14.517 -14.890 -16.935 1.00 0.00 O ATOM 23 CB SER A 345 17.351 -15.207 -15.493 1.00 0.00 C ATOM 24 OG SER A 345 17.624 -14.412 -16.634 1.00 0.00 O ATOM 0 H SER A 345 16.094 -16.532 -13.594 1.00 0.00 H new ATOM 0 HA SER A 345 15.746 -13.906 -14.904 1.00 0.00 H new ATOM 0 HB2 SER A 345 18.061 -14.968 -14.701 1.00 0.00 H new ATOM 0 HB3 SER A 345 17.489 -16.260 -15.738 1.00 0.00 H new ATOM 0 HG SER A 345 18.542 -14.576 -16.935 1.00 0.00 H new ATOM 30 N GLY A 346 14.531 -16.809 -15.760 1.00 0.00 N ATOM 31 CA GLY A 346 13.582 -17.459 -16.644 1.00 0.00 C ATOM 32 C GLY A 346 13.047 -18.755 -16.068 1.00 0.00 C ATOM 33 O GLY A 346 13.302 -19.833 -16.604 1.00 0.00 O ATOM 0 H GLY A 346 14.853 -17.383 -14.981 1.00 0.00 H new ATOM 0 HA2 GLY A 346 12.751 -16.782 -16.841 1.00 0.00 H new ATOM 0 HA3 GLY A 346 14.062 -17.661 -17.602 1.00 0.00 H new ATOM 37 N SER A 347 12.303 -18.650 -14.971 1.00 0.00 N ATOM 38 CA SER A 347 11.735 -19.824 -14.318 1.00 0.00 C ATOM 39 C SER A 347 10.509 -20.326 -15.074 1.00 0.00 C ATOM 40 O SER A 347 10.004 -19.656 -15.975 1.00 0.00 O ATOM 41 CB SER A 347 11.358 -19.496 -12.872 1.00 0.00 C ATOM 42 OG SER A 347 11.360 -20.663 -12.068 1.00 0.00 O ATOM 0 H SER A 347 12.080 -17.765 -14.516 1.00 0.00 H new ATOM 0 HA SER A 347 12.489 -20.611 -14.320 1.00 0.00 H new ATOM 0 HB2 SER A 347 12.061 -18.769 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 347 10.371 -19.034 -12.846 1.00 0.00 H new ATOM 0 HG SER A 347 11.118 -20.427 -11.148 1.00 0.00 H new ATOM 48 N SER A 348 10.034 -21.509 -14.700 1.00 0.00 N ATOM 49 CA SER A 348 8.869 -22.105 -15.344 1.00 0.00 C ATOM 50 C SER A 348 7.808 -22.475 -14.313 1.00 0.00 C ATOM 51 O SER A 348 7.045 -23.421 -14.503 1.00 0.00 O ATOM 52 CB SER A 348 9.279 -23.346 -16.140 1.00 0.00 C ATOM 53 OG SER A 348 8.272 -23.711 -17.068 1.00 0.00 O ATOM 0 H SER A 348 10.438 -22.075 -13.954 1.00 0.00 H new ATOM 0 HA SER A 348 8.445 -21.368 -16.026 1.00 0.00 H new ATOM 0 HB2 SER A 348 10.212 -23.151 -16.669 1.00 0.00 H new ATOM 0 HB3 SER A 348 9.467 -24.175 -15.457 1.00 0.00 H new ATOM 0 HG SER A 348 7.405 -23.744 -16.613 1.00 0.00 H new ATOM 59 N GLY A 349 7.766 -21.721 -13.218 1.00 0.00 N ATOM 60 CA GLY A 349 6.796 -21.985 -12.172 1.00 0.00 C ATOM 61 C GLY A 349 6.704 -20.853 -11.168 1.00 0.00 C ATOM 62 O GLY A 349 7.722 -20.318 -10.730 1.00 0.00 O ATOM 0 H GLY A 349 8.387 -20.932 -13.037 1.00 0.00 H new ATOM 0 HA2 GLY A 349 5.817 -22.148 -12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 349 7.066 -22.905 -11.654 1.00 0.00 H new ATOM 66 N ARG A 350 5.479 -20.485 -10.804 1.00 0.00 N ATOM 67 CA ARG A 350 5.258 -19.407 -9.848 1.00 0.00 C ATOM 68 C ARG A 350 3.870 -19.511 -9.223 1.00 0.00 C ATOM 69 O ARG A 350 2.857 -19.475 -9.923 1.00 0.00 O ATOM 70 CB ARG A 350 5.421 -18.049 -10.531 1.00 0.00 C ATOM 71 CG ARG A 350 4.705 -17.950 -11.868 1.00 0.00 C ATOM 72 CD ARG A 350 4.260 -16.525 -12.158 1.00 0.00 C ATOM 73 NE ARG A 350 5.282 -15.767 -12.874 1.00 0.00 N ATOM 74 CZ ARG A 350 5.047 -14.612 -13.486 1.00 0.00 C ATOM 75 NH1 ARG A 350 3.831 -14.084 -13.468 1.00 0.00 N ATOM 76 NH2 ARG A 350 6.029 -13.981 -14.117 1.00 0.00 N ATOM 0 H ARG A 350 4.625 -20.918 -11.157 1.00 0.00 H new ATOM 0 HA ARG A 350 6.002 -19.499 -9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 350 5.044 -17.271 -9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 350 6.483 -17.853 -10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 350 5.367 -18.294 -12.663 1.00 0.00 H new ATOM 0 HG3 ARG A 350 3.838 -18.610 -11.867 1.00 0.00 H new ATOM 0 HD2 ARG A 350 3.344 -16.544 -12.748 1.00 0.00 H new ATOM 0 HD3 ARG A 350 4.025 -16.021 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 350 6.229 -16.145 -12.906 1.00 0.00 H new ATOM 0 HH11 ARG A 350 3.073 -14.565 -12.983 1.00 0.00 H new ATOM 0 HH12 ARG A 350 3.653 -13.197 -13.939 1.00 0.00 H new ATOM 0 HH21 ARG A 350 6.966 -14.383 -14.133 1.00 0.00 H new ATOM 0 HH22 ARG A 350 5.847 -13.094 -14.586 1.00 0.00 H new ATOM 90 N THR A 351 3.829 -19.641 -7.901 1.00 0.00 N ATOM 91 CA THR A 351 2.566 -19.752 -7.182 1.00 0.00 C ATOM 92 C THR A 351 2.320 -18.526 -6.310 1.00 0.00 C ATOM 93 O THR A 351 2.379 -18.603 -5.083 1.00 0.00 O ATOM 94 CB THR A 351 2.533 -21.012 -6.296 1.00 0.00 C ATOM 95 OG1 THR A 351 3.626 -20.990 -5.371 1.00 0.00 O ATOM 96 CG2 THR A 351 2.606 -22.272 -7.146 1.00 0.00 C ATOM 0 H THR A 351 4.657 -19.672 -7.306 1.00 0.00 H new ATOM 0 HA THR A 351 1.780 -19.824 -7.934 1.00 0.00 H new ATOM 0 HB THR A 351 1.592 -21.018 -5.745 1.00 0.00 H new ATOM 0 HG1 THR A 351 3.613 -20.148 -4.870 1.00 0.00 H new ATOM 0 HG21 THR A 351 2.581 -23.149 -6.499 1.00 0.00 H new ATOM 0 HG22 THR A 351 1.757 -22.300 -7.828 1.00 0.00 H new ATOM 0 HG23 THR A 351 3.533 -22.271 -7.720 1.00 0.00 H new ATOM 104 N ARG A 352 2.044 -17.396 -6.952 1.00 0.00 N ATOM 105 CA ARG A 352 1.789 -16.152 -6.234 1.00 0.00 C ATOM 106 C ARG A 352 0.649 -15.374 -6.884 1.00 0.00 C ATOM 107 O ARG A 352 0.724 -15.003 -8.056 1.00 0.00 O ATOM 108 CB ARG A 352 3.053 -15.292 -6.198 1.00 0.00 C ATOM 109 CG ARG A 352 2.957 -14.109 -5.248 1.00 0.00 C ATOM 110 CD ARG A 352 4.322 -13.726 -4.696 1.00 0.00 C ATOM 111 NE ARG A 352 4.701 -14.552 -3.553 1.00 0.00 N ATOM 112 CZ ARG A 352 5.764 -14.312 -2.793 1.00 0.00 C ATOM 113 NH1 ARG A 352 6.548 -13.275 -3.053 1.00 0.00 N ATOM 114 NH2 ARG A 352 6.044 -15.109 -1.770 1.00 0.00 N ATOM 0 H ARG A 352 1.991 -17.316 -7.967 1.00 0.00 H new ATOM 0 HA ARG A 352 1.499 -16.402 -5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 352 3.898 -15.915 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 352 3.261 -14.924 -7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 352 2.522 -13.256 -5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 352 2.286 -14.355 -4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 352 5.072 -13.827 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 352 4.311 -12.678 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 352 4.118 -15.357 -3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 352 6.336 -12.659 -3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 352 7.363 -13.093 -2.468 1.00 0.00 H new ATOM 0 HH21 ARG A 352 5.443 -15.907 -1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 352 6.860 -14.923 -1.187 1.00 0.00 H new ATOM 128 N LYS A 353 -0.407 -15.129 -6.115 1.00 0.00 N ATOM 129 CA LYS A 353 -1.563 -14.394 -6.614 1.00 0.00 C ATOM 130 C LYS A 353 -1.870 -13.193 -5.724 1.00 0.00 C ATOM 131 O LYS A 353 -2.091 -12.087 -6.215 1.00 0.00 O ATOM 132 CB LYS A 353 -2.785 -15.313 -6.687 1.00 0.00 C ATOM 133 CG LYS A 353 -3.067 -16.054 -5.392 1.00 0.00 C ATOM 134 CD LYS A 353 -4.051 -17.192 -5.603 1.00 0.00 C ATOM 135 CE LYS A 353 -5.490 -16.717 -5.474 1.00 0.00 C ATOM 136 NZ LYS A 353 -6.011 -16.170 -6.757 1.00 0.00 N ATOM 0 H LYS A 353 -0.486 -15.429 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 353 -1.327 -14.032 -7.615 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -3.660 -14.720 -6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -2.636 -16.039 -7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -2.135 -16.448 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -3.466 -15.359 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -3.898 -17.628 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -3.860 -17.979 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -6.119 -17.547 -5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -5.552 -15.951 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -7.042 -16.298 -6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -5.785 -15.157 -6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -5.570 -16.673 -7.553 1.00 0.00 H new ATOM 150 N GLN A 354 -1.879 -13.420 -4.414 1.00 0.00 N ATOM 151 CA GLN A 354 -2.158 -12.356 -3.457 1.00 0.00 C ATOM 152 C GLN A 354 -1.174 -11.203 -3.624 1.00 0.00 C ATOM 153 O GLN A 354 -0.235 -11.283 -4.416 1.00 0.00 O ATOM 154 CB GLN A 354 -2.091 -12.896 -2.028 1.00 0.00 C ATOM 155 CG GLN A 354 -0.712 -13.400 -1.632 1.00 0.00 C ATOM 156 CD GLN A 354 -0.487 -14.848 -2.020 1.00 0.00 C ATOM 157 OE1 GLN A 354 -1.343 -15.704 -1.794 1.00 0.00 O ATOM 158 NE2 GLN A 354 0.670 -15.131 -2.607 1.00 0.00 N ATOM 0 H GLN A 354 -1.696 -14.330 -3.992 1.00 0.00 H new ATOM 0 HA GLN A 354 -3.164 -11.983 -3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -2.394 -12.109 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -2.810 -13.708 -1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 354 0.048 -12.778 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -0.585 -13.292 -0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 354 1.351 -14.391 -2.775 1.00 0.00 H new ATOM 0 HE22 GLN A 354 0.878 -16.089 -2.890 1.00 0.00 H new ATOM 167 N VAL A 355 -1.396 -10.129 -2.873 1.00 0.00 N ATOM 168 CA VAL A 355 -0.529 -8.958 -2.937 1.00 0.00 C ATOM 169 C VAL A 355 0.339 -8.849 -1.689 1.00 0.00 C ATOM 170 O VAL A 355 -0.131 -9.067 -0.572 1.00 0.00 O ATOM 171 CB VAL A 355 -1.346 -7.662 -3.096 1.00 0.00 C ATOM 172 CG1 VAL A 355 -0.423 -6.469 -3.285 1.00 0.00 C ATOM 173 CG2 VAL A 355 -2.318 -7.785 -4.260 1.00 0.00 C ATOM 0 H VAL A 355 -2.169 -10.045 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 355 0.110 -9.085 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 355 -1.924 -7.503 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 355 -1.018 -5.563 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 355 0.228 -6.372 -2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 355 0.183 -6.616 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 355 -2.887 -6.861 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 355 -1.763 -7.969 -5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 355 -3.002 -8.614 -4.077 1.00 0.00 H new ATOM 183 N ALA A 356 1.609 -8.508 -1.885 1.00 0.00 N ATOM 184 CA ALA A 356 2.542 -8.367 -0.775 1.00 0.00 C ATOM 185 C ALA A 356 3.272 -7.029 -0.838 1.00 0.00 C ATOM 186 O ALA A 356 4.241 -6.873 -1.582 1.00 0.00 O ATOM 187 CB ALA A 356 3.541 -9.515 -0.776 1.00 0.00 C ATOM 0 H ALA A 356 2.015 -8.324 -2.803 1.00 0.00 H new ATOM 0 HA ALA A 356 1.971 -8.397 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 356 4.232 -9.397 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 356 3.009 -10.461 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 356 4.099 -9.511 -1.712 1.00 0.00 H new ATOM 193 N CYS A 357 2.800 -6.066 -0.054 1.00 0.00 N ATOM 194 CA CYS A 357 3.407 -4.740 -0.021 1.00 0.00 C ATOM 195 C CYS A 357 4.887 -4.828 0.340 1.00 0.00 C ATOM 196 O CYS A 357 5.243 -4.957 1.511 1.00 0.00 O ATOM 197 CB CYS A 357 2.677 -3.848 0.985 1.00 0.00 C ATOM 198 SG CYS A 357 3.048 -2.073 0.810 1.00 0.00 S ATOM 0 H CYS A 357 1.999 -6.179 0.567 1.00 0.00 H new ATOM 0 HA CYS A 357 3.320 -4.302 -1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 357 1.603 -3.997 0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 357 2.940 -4.166 1.994 1.00 0.00 H new ATOM 203 N GLU A 358 5.743 -4.756 -0.675 1.00 0.00 N ATOM 204 CA GLU A 358 7.184 -4.828 -0.464 1.00 0.00 C ATOM 205 C GLU A 358 7.702 -3.550 0.190 1.00 0.00 C ATOM 206 O GLU A 358 8.776 -3.540 0.792 1.00 0.00 O ATOM 207 CB GLU A 358 7.905 -5.063 -1.793 1.00 0.00 C ATOM 208 CG GLU A 358 9.311 -5.616 -1.632 1.00 0.00 C ATOM 209 CD GLU A 358 9.854 -6.211 -2.917 1.00 0.00 C ATOM 210 OE1 GLU A 358 9.386 -5.805 -4.002 1.00 0.00 O ATOM 211 OE2 GLU A 358 10.746 -7.082 -2.838 1.00 0.00 O ATOM 0 H GLU A 358 5.464 -4.648 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 358 7.387 -5.665 0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 358 7.318 -5.755 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 358 7.954 -4.122 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 358 9.975 -4.819 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 358 9.310 -6.380 -0.854 1.00 0.00 H new ATOM 218 N ILE A 359 6.932 -2.474 0.065 1.00 0.00 N ATOM 219 CA ILE A 359 7.313 -1.192 0.643 1.00 0.00 C ATOM 220 C ILE A 359 7.628 -1.330 2.129 1.00 0.00 C ATOM 221 O ILE A 359 8.760 -1.110 2.558 1.00 0.00 O ATOM 222 CB ILE A 359 6.203 -0.140 0.461 1.00 0.00 C ATOM 223 CG1 ILE A 359 5.842 0.001 -1.019 1.00 0.00 C ATOM 224 CG2 ILE A 359 6.642 1.199 1.034 1.00 0.00 C ATOM 225 CD1 ILE A 359 4.746 1.010 -1.281 1.00 0.00 C ATOM 0 H ILE A 359 6.041 -2.465 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 359 8.207 -0.861 0.114 1.00 0.00 H new ATOM 0 HB ILE A 359 5.317 -0.471 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 359 6.733 0.292 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 359 5.530 -0.970 -1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 359 5.847 1.932 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 359 6.854 1.088 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 359 7.540 1.539 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 359 4.543 1.057 -2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 359 3.841 0.710 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 359 5.063 1.991 -0.929 1.00 0.00 H new ATOM 237 N CYS A 360 6.617 -1.698 2.910 1.00 0.00 N ATOM 238 CA CYS A 360 6.785 -1.868 4.348 1.00 0.00 C ATOM 239 C CYS A 360 6.725 -3.344 4.732 1.00 0.00 C ATOM 240 O CYS A 360 7.433 -3.791 5.634 1.00 0.00 O ATOM 241 CB CYS A 360 5.706 -1.089 5.104 1.00 0.00 C ATOM 242 SG CYS A 360 4.003 -1.510 4.612 1.00 0.00 S ATOM 0 H CYS A 360 5.673 -1.884 2.571 1.00 0.00 H new ATOM 0 HA CYS A 360 7.765 -1.479 4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 360 5.821 -1.274 6.172 1.00 0.00 H new ATOM 0 HB3 CYS A 360 5.865 -0.022 4.946 1.00 0.00 H new ATOM 247 N GLY A 361 5.875 -4.096 4.040 1.00 0.00 N ATOM 248 CA GLY A 361 5.738 -5.513 4.322 1.00 0.00 C ATOM 249 C GLY A 361 4.371 -5.865 4.873 1.00 0.00 C ATOM 250 O GLY A 361 4.218 -6.103 6.071 1.00 0.00 O ATOM 0 H GLY A 361 5.279 -3.749 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 361 5.915 -6.081 3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 361 6.503 -5.813 5.038 1.00 0.00 H new ATOM 254 N LYS A 362 3.372 -5.898 3.997 1.00 0.00 N ATOM 255 CA LYS A 362 2.010 -6.223 4.401 1.00 0.00 C ATOM 256 C LYS A 362 1.329 -7.105 3.359 1.00 0.00 C ATOM 257 O LYS A 362 1.355 -6.804 2.165 1.00 0.00 O ATOM 258 CB LYS A 362 1.198 -4.943 4.609 1.00 0.00 C ATOM 259 CG LYS A 362 1.691 -4.092 5.768 1.00 0.00 C ATOM 260 CD LYS A 362 0.915 -4.382 7.041 1.00 0.00 C ATOM 261 CE LYS A 362 -0.511 -3.858 6.957 1.00 0.00 C ATOM 262 NZ LYS A 362 -0.616 -2.455 7.443 1.00 0.00 N ATOM 0 H LYS A 362 3.481 -5.703 3.002 1.00 0.00 H new ATOM 0 HA LYS A 362 2.059 -6.772 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 362 1.229 -4.350 3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 362 0.155 -5.208 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 362 2.751 -4.282 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 362 1.593 -3.037 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 362 0.899 -5.457 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 362 1.423 -3.924 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 362 -0.857 -3.912 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 362 -1.168 -4.497 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 362 -1.600 -2.129 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 362 -0.326 -2.411 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 362 0.004 -1.843 6.875 1.00 0.00 H new ATOM 276 N ILE A 363 0.720 -8.193 3.818 1.00 0.00 N ATOM 277 CA ILE A 363 0.031 -9.116 2.925 1.00 0.00 C ATOM 278 C ILE A 363 -1.437 -8.735 2.767 1.00 0.00 C ATOM 279 O ILE A 363 -2.129 -8.466 3.750 1.00 0.00 O ATOM 280 CB ILE A 363 0.121 -10.566 3.435 1.00 0.00 C ATOM 281 CG1 ILE A 363 1.585 -10.978 3.611 1.00 0.00 C ATOM 282 CG2 ILE A 363 -0.589 -11.511 2.476 1.00 0.00 C ATOM 283 CD1 ILE A 363 2.364 -11.006 2.315 1.00 0.00 C ATOM 0 H ILE A 363 0.690 -8.457 4.803 1.00 0.00 H new ATOM 0 HA ILE A 363 0.528 -9.049 1.957 1.00 0.00 H new ATOM 0 HB ILE A 363 -0.373 -10.625 4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 363 2.068 -10.287 4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 363 1.623 -11.966 4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -0.516 -12.532 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.638 -11.228 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 363 -0.121 -11.451 1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 363 3.393 -11.306 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 363 1.905 -11.719 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 363 2.357 -10.013 1.865 1.00 0.00 H new ATOM 295 N PHE A 364 -1.908 -8.716 1.525 1.00 0.00 N ATOM 296 CA PHE A 364 -3.295 -8.369 1.238 1.00 0.00 C ATOM 297 C PHE A 364 -3.923 -9.382 0.284 1.00 0.00 C ATOM 298 O PHE A 364 -3.226 -10.202 -0.313 1.00 0.00 O ATOM 299 CB PHE A 364 -3.378 -6.965 0.635 1.00 0.00 C ATOM 300 CG PHE A 364 -2.826 -5.895 1.533 1.00 0.00 C ATOM 301 CD1 PHE A 364 -3.579 -5.398 2.585 1.00 0.00 C ATOM 302 CD2 PHE A 364 -1.555 -5.384 1.324 1.00 0.00 C ATOM 303 CE1 PHE A 364 -3.074 -4.413 3.413 1.00 0.00 C ATOM 304 CE2 PHE A 364 -1.045 -4.400 2.149 1.00 0.00 C ATOM 305 CZ PHE A 364 -1.806 -3.913 3.194 1.00 0.00 C ATOM 0 H PHE A 364 -1.349 -8.937 0.701 1.00 0.00 H new ATOM 0 HA PHE A 364 -3.849 -8.387 2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 364 -2.835 -6.951 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 364 -4.419 -6.736 0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 364 -4.572 -5.785 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 364 -0.956 -5.759 0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 364 -3.671 -4.035 4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 364 -0.052 -4.012 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 364 -1.410 -3.142 3.839 1.00 0.00 H new ATOM 315 N ARG A 365 -5.243 -9.317 0.147 1.00 0.00 N ATOM 316 CA ARG A 365 -5.966 -10.228 -0.732 1.00 0.00 C ATOM 317 C ARG A 365 -5.843 -9.791 -2.188 1.00 0.00 C ATOM 318 O ARG A 365 -5.316 -10.524 -3.025 1.00 0.00 O ATOM 319 CB ARG A 365 -7.441 -10.295 -0.331 1.00 0.00 C ATOM 320 CG ARG A 365 -7.673 -10.923 1.034 1.00 0.00 C ATOM 321 CD ARG A 365 -7.479 -12.431 0.994 1.00 0.00 C ATOM 322 NE ARG A 365 -8.720 -13.135 0.681 1.00 0.00 N ATOM 323 CZ ARG A 365 -8.897 -14.436 0.882 1.00 0.00 C ATOM 324 NH1 ARG A 365 -7.919 -15.171 1.392 1.00 0.00 N ATOM 325 NH2 ARG A 365 -10.056 -15.004 0.572 1.00 0.00 N ATOM 0 H ARG A 365 -5.834 -8.643 0.634 1.00 0.00 H new ATOM 0 HA ARG A 365 -5.524 -11.219 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 365 -7.856 -9.287 -0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 365 -7.987 -10.866 -1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 365 -6.986 -10.486 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 365 -8.683 -10.694 1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 365 -6.723 -12.680 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 365 -7.101 -12.773 1.957 1.00 0.00 H new ATOM 0 HE ARG A 365 -9.493 -12.598 0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 365 -7.027 -14.738 1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 365 -8.058 -16.170 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 365 -10.811 -14.441 0.179 1.00 0.00 H new ATOM 0 HH22 ARG A 365 -10.192 -16.003 0.726 1.00 0.00 H new ATOM 339 N ASP A 366 -6.333 -8.592 -2.484 1.00 0.00 N ATOM 340 CA ASP A 366 -6.278 -8.056 -3.839 1.00 0.00 C ATOM 341 C ASP A 366 -5.666 -6.659 -3.846 1.00 0.00 C ATOM 342 O ASP A 366 -5.458 -6.055 -2.793 1.00 0.00 O ATOM 343 CB ASP A 366 -7.678 -8.016 -4.452 1.00 0.00 C ATOM 344 CG ASP A 366 -8.707 -7.426 -3.508 1.00 0.00 C ATOM 345 OD1 ASP A 366 -8.432 -6.357 -2.923 1.00 0.00 O ATOM 346 OD2 ASP A 366 -9.788 -8.032 -3.354 1.00 0.00 O ATOM 0 H ASP A 366 -6.773 -7.973 -1.803 1.00 0.00 H new ATOM 0 HA ASP A 366 -5.647 -8.713 -4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -7.653 -7.429 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -7.980 -9.026 -4.728 1.00 0.00 H new ATOM 351 N VAL A 367 -5.377 -6.151 -5.040 1.00 0.00 N ATOM 352 CA VAL A 367 -4.789 -4.824 -5.185 1.00 0.00 C ATOM 353 C VAL A 367 -5.721 -3.747 -4.640 1.00 0.00 C ATOM 354 O VAL A 367 -5.270 -2.729 -4.115 1.00 0.00 O ATOM 355 CB VAL A 367 -4.466 -4.511 -6.658 1.00 0.00 C ATOM 356 CG1 VAL A 367 -3.756 -3.172 -6.776 1.00 0.00 C ATOM 357 CG2 VAL A 367 -3.627 -5.624 -7.267 1.00 0.00 C ATOM 0 H VAL A 367 -5.540 -6.638 -5.921 1.00 0.00 H new ATOM 0 HA VAL A 367 -3.863 -4.824 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 367 -5.403 -4.448 -7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 367 -3.536 -2.968 -7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 367 -4.397 -2.384 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 367 -2.826 -3.202 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 367 -3.408 -5.387 -8.308 1.00 0.00 H new ATOM 0 HG22 VAL A 367 -2.693 -5.721 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 367 -4.178 -6.563 -7.217 1.00 0.00 H new ATOM 367 N TYR A 368 -7.022 -3.979 -4.769 1.00 0.00 N ATOM 368 CA TYR A 368 -8.019 -3.028 -4.291 1.00 0.00 C ATOM 369 C TYR A 368 -7.768 -2.662 -2.832 1.00 0.00 C ATOM 370 O TYR A 368 -7.936 -1.511 -2.430 1.00 0.00 O ATOM 371 CB TYR A 368 -9.425 -3.608 -4.448 1.00 0.00 C ATOM 372 CG TYR A 368 -10.521 -2.569 -4.374 1.00 0.00 C ATOM 373 CD1 TYR A 368 -10.672 -1.616 -5.374 1.00 0.00 C ATOM 374 CD2 TYR A 368 -11.407 -2.541 -3.304 1.00 0.00 C ATOM 375 CE1 TYR A 368 -11.671 -0.665 -5.309 1.00 0.00 C ATOM 376 CE2 TYR A 368 -12.410 -1.594 -3.232 1.00 0.00 C ATOM 377 CZ TYR A 368 -12.538 -0.658 -4.236 1.00 0.00 C ATOM 378 OH TYR A 368 -13.535 0.288 -4.169 1.00 0.00 O ATOM 0 H TYR A 368 -7.411 -4.817 -5.200 1.00 0.00 H new ATOM 0 HA TYR A 368 -7.937 -2.123 -4.893 1.00 0.00 H new ATOM 0 HB2 TYR A 368 -9.491 -4.125 -5.405 1.00 0.00 H new ATOM 0 HB3 TYR A 368 -9.590 -4.354 -3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 368 -9.996 -1.619 -6.217 1.00 0.00 H new ATOM 0 HD2 TYR A 368 -11.310 -3.272 -2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 368 -11.773 0.070 -6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 368 -13.091 -1.587 -2.393 1.00 0.00 H new ATOM 0 HH TYR A 368 -14.059 0.154 -3.352 1.00 0.00 H new ATOM 388 N HIS A 369 -7.363 -3.652 -2.042 1.00 0.00 N ATOM 389 CA HIS A 369 -7.086 -3.436 -0.626 1.00 0.00 C ATOM 390 C HIS A 369 -5.778 -2.673 -0.438 1.00 0.00 C ATOM 391 O HIS A 369 -5.623 -1.912 0.518 1.00 0.00 O ATOM 392 CB HIS A 369 -7.020 -4.773 0.112 1.00 0.00 C ATOM 393 CG HIS A 369 -8.361 -5.405 0.328 1.00 0.00 C ATOM 394 ND1 HIS A 369 -8.520 -6.715 0.727 1.00 0.00 N ATOM 395 CD2 HIS A 369 -9.609 -4.898 0.200 1.00 0.00 C ATOM 396 CE1 HIS A 369 -9.808 -6.988 0.833 1.00 0.00 C ATOM 397 NE2 HIS A 369 -10.491 -5.901 0.519 1.00 0.00 N ATOM 0 H HIS A 369 -7.219 -4.611 -2.358 1.00 0.00 H new ATOM 0 HA HIS A 369 -7.897 -2.839 -0.210 1.00 0.00 H new ATOM 0 HB2 HIS A 369 -6.391 -5.460 -0.454 1.00 0.00 H new ATOM 0 HB3 HIS A 369 -6.539 -4.622 1.078 1.00 0.00 H new ATOM 0 HD2 HIS A 369 -9.864 -3.892 -0.098 1.00 0.00 H new ATOM 0 HE1 HIS A 369 -10.231 -7.938 1.126 1.00 0.00 H new ATOM 0 HE2 HIS A 369 -11.508 -5.820 0.514 1.00 0.00 H new ATOM 405 N LEU A 370 -4.840 -2.882 -1.355 1.00 0.00 N ATOM 406 CA LEU A 370 -3.545 -2.214 -1.290 1.00 0.00 C ATOM 407 C LEU A 370 -3.675 -0.737 -1.650 1.00 0.00 C ATOM 408 O LEU A 370 -2.912 0.099 -1.168 1.00 0.00 O ATOM 409 CB LEU A 370 -2.550 -2.894 -2.232 1.00 0.00 C ATOM 410 CG LEU A 370 -1.220 -2.171 -2.440 1.00 0.00 C ATOM 411 CD1 LEU A 370 -0.442 -2.098 -1.135 1.00 0.00 C ATOM 412 CD2 LEU A 370 -0.397 -2.866 -3.515 1.00 0.00 C ATOM 0 H LEU A 370 -4.952 -3.509 -2.152 1.00 0.00 H new ATOM 0 HA LEU A 370 -3.177 -2.289 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 370 -2.341 -3.893 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 370 -3.028 -3.020 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 370 -1.430 -1.154 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 370 0.502 -1.580 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 370 -1.027 -1.555 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 370 -0.243 -3.107 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 370 0.547 -2.337 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 370 -0.197 -3.894 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 370 -0.950 -2.865 -4.454 1.00 0.00 H new ATOM 424 N ASN A 371 -4.648 -0.424 -2.500 1.00 0.00 N ATOM 425 CA ASN A 371 -4.879 0.952 -2.923 1.00 0.00 C ATOM 426 C ASN A 371 -5.018 1.876 -1.718 1.00 0.00 C ATOM 427 O ASN A 371 -4.369 2.920 -1.644 1.00 0.00 O ATOM 428 CB ASN A 371 -6.136 1.036 -3.792 1.00 0.00 C ATOM 429 CG ASN A 371 -5.981 0.294 -5.106 1.00 0.00 C ATOM 430 OD1 ASN A 371 -4.933 -0.290 -5.382 1.00 0.00 O ATOM 431 ND2 ASN A 371 -7.028 0.314 -5.923 1.00 0.00 N ATOM 0 H ASN A 371 -5.289 -1.104 -2.909 1.00 0.00 H new ATOM 0 HA ASN A 371 -4.018 1.275 -3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 371 -6.982 0.624 -3.243 1.00 0.00 H new ATOM 0 HB3 ASN A 371 -6.366 2.082 -3.994 1.00 0.00 H new ATOM 0 HD21 ASN A 371 -6.983 -0.168 -6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 371 -7.877 0.811 -5.652 1.00 0.00 H new ATOM 438 N ARG A 372 -5.869 1.485 -0.774 1.00 0.00 N ATOM 439 CA ARG A 372 -6.094 2.278 0.428 1.00 0.00 C ATOM 440 C ARG A 372 -4.860 2.266 1.327 1.00 0.00 C ATOM 441 O ARG A 372 -4.601 3.223 2.056 1.00 0.00 O ATOM 442 CB ARG A 372 -7.304 1.745 1.198 1.00 0.00 C ATOM 443 CG ARG A 372 -7.481 2.378 2.568 1.00 0.00 C ATOM 444 CD ARG A 372 -8.914 2.245 3.062 1.00 0.00 C ATOM 445 NE ARG A 372 -9.004 2.356 4.515 1.00 0.00 N ATOM 446 CZ ARG A 372 -10.144 2.260 5.190 1.00 0.00 C ATOM 447 NH1 ARG A 372 -11.284 2.053 4.545 1.00 0.00 N ATOM 448 NH2 ARG A 372 -10.146 2.372 6.512 1.00 0.00 N ATOM 0 H ARG A 372 -6.414 0.624 -0.819 1.00 0.00 H new ATOM 0 HA ARG A 372 -6.290 3.306 0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -8.204 1.918 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -7.202 0.666 1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -6.804 1.904 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -7.207 3.432 2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -9.530 3.017 2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -9.319 1.283 2.746 1.00 0.00 H new ATOM 0 HE ARG A 372 -8.145 2.516 5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -11.287 1.967 3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -12.158 1.980 5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -9.271 2.532 7.012 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -11.022 2.298 7.029 1.00 0.00 H new ATOM 462 N HIS A 373 -4.103 1.175 1.268 1.00 0.00 N ATOM 463 CA HIS A 373 -2.897 1.038 2.076 1.00 0.00 C ATOM 464 C HIS A 373 -1.828 2.031 1.630 1.00 0.00 C ATOM 465 O HIS A 373 -1.102 2.590 2.452 1.00 0.00 O ATOM 466 CB HIS A 373 -2.354 -0.389 1.983 1.00 0.00 C ATOM 467 CG HIS A 373 -1.025 -0.569 2.649 1.00 0.00 C ATOM 468 ND1 HIS A 373 -0.879 -0.704 4.013 1.00 0.00 N ATOM 469 CD2 HIS A 373 0.223 -0.638 2.130 1.00 0.00 C ATOM 470 CE1 HIS A 373 0.402 -0.847 4.305 1.00 0.00 C ATOM 471 NE2 HIS A 373 1.092 -0.810 3.179 1.00 0.00 N ATOM 0 H HIS A 373 -4.303 0.374 0.670 1.00 0.00 H new ATOM 0 HA HIS A 373 -3.158 1.253 3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 373 -3.073 -1.073 2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 373 -2.266 -0.668 0.933 1.00 0.00 H new ATOM 0 HD1 HIS A 373 -1.641 -0.695 4.691 1.00 0.00 H new ATOM 0 HD2 HIS A 373 0.486 -0.570 1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 373 0.814 -0.973 5.295 1.00 0.00 H new ATOM 479 N LYS A 374 -1.736 2.245 0.322 1.00 0.00 N ATOM 480 CA LYS A 374 -0.757 3.171 -0.235 1.00 0.00 C ATOM 481 C LYS A 374 -1.038 4.599 0.220 1.00 0.00 C ATOM 482 O LYS A 374 -0.123 5.415 0.341 1.00 0.00 O ATOM 483 CB LYS A 374 -0.769 3.100 -1.764 1.00 0.00 C ATOM 484 CG LYS A 374 -0.008 1.911 -2.324 1.00 0.00 C ATOM 485 CD LYS A 374 -0.030 1.900 -3.843 1.00 0.00 C ATOM 486 CE LYS A 374 -1.399 1.507 -4.378 1.00 0.00 C ATOM 487 NZ LYS A 374 -1.515 1.756 -5.842 1.00 0.00 N ATOM 0 H LYS A 374 -2.328 1.789 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 374 0.229 2.880 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 374 -1.802 3.055 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 374 -0.339 4.018 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 374 1.024 1.941 -1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 374 -0.446 0.987 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 374 0.239 2.887 -4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 374 0.721 1.202 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 374 -1.579 0.452 -4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 374 -2.170 2.070 -3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 374 -2.462 1.475 -6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 374 -1.368 2.767 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 374 -0.796 1.199 -6.347 1.00 0.00 H new ATOM 501 N LEU A 375 -2.308 4.896 0.473 1.00 0.00 N ATOM 502 CA LEU A 375 -2.710 6.226 0.917 1.00 0.00 C ATOM 503 C LEU A 375 -1.960 6.626 2.184 1.00 0.00 C ATOM 504 O LEU A 375 -1.492 7.758 2.309 1.00 0.00 O ATOM 505 CB LEU A 375 -4.218 6.268 1.168 1.00 0.00 C ATOM 506 CG LEU A 375 -5.107 5.913 -0.025 1.00 0.00 C ATOM 507 CD1 LEU A 375 -6.575 5.960 0.371 1.00 0.00 C ATOM 508 CD2 LEU A 375 -4.837 6.854 -1.190 1.00 0.00 C ATOM 0 H LEU A 375 -3.077 4.233 0.378 1.00 0.00 H new ATOM 0 HA LEU A 375 -2.460 6.936 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 375 -4.449 5.584 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 375 -4.482 7.270 1.507 1.00 0.00 H new ATOM 0 HG LEU A 375 -4.869 4.897 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 375 -7.193 5.705 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 375 -6.758 5.246 1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 375 -6.827 6.963 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 375 -5.478 6.587 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 375 -5.047 7.879 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 375 -3.792 6.771 -1.490 1.00 0.00 H new ATOM 520 N SER A 376 -1.849 5.690 3.121 1.00 0.00 N ATOM 521 CA SER A 376 -1.158 5.945 4.379 1.00 0.00 C ATOM 522 C SER A 376 0.314 6.263 4.135 1.00 0.00 C ATOM 523 O SER A 376 0.877 7.167 4.754 1.00 0.00 O ATOM 524 CB SER A 376 -1.284 4.737 5.309 1.00 0.00 C ATOM 525 OG SER A 376 -2.608 4.605 5.797 1.00 0.00 O ATOM 0 H SER A 376 -2.229 4.748 3.032 1.00 0.00 H new ATOM 0 HA SER A 376 -1.625 6.809 4.853 1.00 0.00 H new ATOM 0 HB2 SER A 376 -0.998 3.831 4.774 1.00 0.00 H new ATOM 0 HB3 SER A 376 -0.594 4.845 6.146 1.00 0.00 H new ATOM 0 HG SER A 376 -2.663 3.825 6.388 1.00 0.00 H new ATOM 531 N HIS A 377 0.933 5.512 3.229 1.00 0.00 N ATOM 532 CA HIS A 377 2.340 5.713 2.902 1.00 0.00 C ATOM 533 C HIS A 377 2.606 7.164 2.514 1.00 0.00 C ATOM 534 O HIS A 377 3.613 7.749 2.913 1.00 0.00 O ATOM 535 CB HIS A 377 2.758 4.783 1.763 1.00 0.00 C ATOM 536 CG HIS A 377 3.091 3.394 2.215 1.00 0.00 C ATOM 537 ND1 HIS A 377 3.866 3.129 3.324 1.00 0.00 N ATOM 538 CD2 HIS A 377 2.747 2.190 1.701 1.00 0.00 C ATOM 539 CE1 HIS A 377 3.986 1.822 3.472 1.00 0.00 C ATOM 540 NE2 HIS A 377 3.316 1.229 2.500 1.00 0.00 N ATOM 0 H HIS A 377 0.482 4.759 2.709 1.00 0.00 H new ATOM 0 HA HIS A 377 2.931 5.479 3.788 1.00 0.00 H new ATOM 0 HB2 HIS A 377 1.952 4.734 1.030 1.00 0.00 H new ATOM 0 HB3 HIS A 377 3.624 5.209 1.257 1.00 0.00 H new ATOM 0 HD1 HIS A 377 4.282 3.832 3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 377 2.138 2.017 0.826 1.00 0.00 H new ATOM 0 HE1 HIS A 377 4.538 1.323 4.255 1.00 0.00 H new ATOM 548 N SER A 378 1.697 7.739 1.732 1.00 0.00 N ATOM 549 CA SER A 378 1.836 9.120 1.286 1.00 0.00 C ATOM 550 C SER A 378 1.960 10.066 2.477 1.00 0.00 C ATOM 551 O SER A 378 1.533 9.746 3.585 1.00 0.00 O ATOM 552 CB SER A 378 0.637 9.522 0.424 1.00 0.00 C ATOM 553 OG SER A 378 0.835 9.152 -0.929 1.00 0.00 O ATOM 0 H SER A 378 0.857 7.269 1.395 1.00 0.00 H new ATOM 0 HA SER A 378 2.745 9.194 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 378 -0.266 9.045 0.806 1.00 0.00 H new ATOM 0 HB3 SER A 378 0.482 10.599 0.491 1.00 0.00 H new ATOM 0 HG SER A 378 0.054 9.418 -1.459 1.00 0.00 H new ATOM 559 N GLY A 379 2.550 11.233 2.238 1.00 0.00 N ATOM 560 CA GLY A 379 2.721 12.208 3.299 1.00 0.00 C ATOM 561 C GLY A 379 4.141 12.734 3.380 1.00 0.00 C ATOM 562 O GLY A 379 4.444 13.801 2.848 1.00 0.00 O ATOM 0 H GLY A 379 2.912 11.521 1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 379 2.037 13.041 3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 379 2.450 11.754 4.252 1.00 0.00 H new ATOM 566 N GLU A 380 5.011 11.984 4.048 1.00 0.00 N ATOM 567 CA GLU A 380 6.405 12.383 4.198 1.00 0.00 C ATOM 568 C GLU A 380 7.310 11.549 3.296 1.00 0.00 C ATOM 569 O GLU A 380 8.398 11.135 3.699 1.00 0.00 O ATOM 570 CB GLU A 380 6.847 12.237 5.656 1.00 0.00 C ATOM 571 CG GLU A 380 6.846 10.801 6.152 1.00 0.00 C ATOM 572 CD GLU A 380 6.870 10.706 7.665 1.00 0.00 C ATOM 573 OE1 GLU A 380 5.828 10.987 8.293 1.00 0.00 O ATOM 574 OE2 GLU A 380 7.930 10.350 8.221 1.00 0.00 O ATOM 0 H GLU A 380 4.775 11.097 4.494 1.00 0.00 H new ATOM 0 HA GLU A 380 6.490 13.429 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 380 7.850 12.650 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 380 6.187 12.831 6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 380 5.960 10.291 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 380 7.712 10.280 5.745 1.00 0.00 H new ATOM 581 N LYS A 381 6.852 11.305 2.072 1.00 0.00 N ATOM 582 CA LYS A 381 7.619 10.521 1.111 1.00 0.00 C ATOM 583 C LYS A 381 7.228 10.882 -0.319 1.00 0.00 C ATOM 584 O LYS A 381 6.557 10.121 -1.016 1.00 0.00 O ATOM 585 CB LYS A 381 7.397 9.026 1.349 1.00 0.00 C ATOM 586 CG LYS A 381 8.467 8.146 0.725 1.00 0.00 C ATOM 587 CD LYS A 381 9.709 8.074 1.598 1.00 0.00 C ATOM 588 CE LYS A 381 10.662 6.989 1.122 1.00 0.00 C ATOM 589 NZ LYS A 381 11.898 6.934 1.951 1.00 0.00 N ATOM 0 H LYS A 381 5.954 11.639 1.723 1.00 0.00 H new ATOM 0 HA LYS A 381 8.675 10.752 1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 381 7.364 8.838 2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 381 6.425 8.743 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 381 8.070 7.142 0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 381 8.734 8.537 -0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 381 10.219 9.037 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 381 9.419 7.878 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 381 10.159 6.023 1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 381 10.930 7.172 0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 12.522 6.182 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 12.392 7.848 1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 11.644 6.734 2.940 1.00 0.00 H new ATOM 603 N PRO A 382 7.658 12.070 -0.769 1.00 0.00 N ATOM 604 CA PRO A 382 7.367 12.558 -2.120 1.00 0.00 C ATOM 605 C PRO A 382 8.113 11.772 -3.193 1.00 0.00 C ATOM 606 O PRO A 382 8.849 10.833 -2.889 1.00 0.00 O ATOM 607 CB PRO A 382 7.853 14.009 -2.086 1.00 0.00 C ATOM 608 CG PRO A 382 8.896 14.034 -1.024 1.00 0.00 C ATOM 609 CD PRO A 382 8.463 13.029 0.007 1.00 0.00 C ATOM 0 HA PRO A 382 6.312 12.453 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 382 8.262 14.312 -3.050 1.00 0.00 H new ATOM 0 HB3 PRO A 382 7.037 14.694 -1.856 1.00 0.00 H new ATOM 0 HG2 PRO A 382 9.874 13.778 -1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 382 8.983 15.029 -0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 382 9.317 12.546 0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 382 7.879 13.494 0.801 1.00 0.00 H new ATOM 617 N TYR A 383 7.917 12.161 -4.448 1.00 0.00 N ATOM 618 CA TYR A 383 8.570 11.491 -5.567 1.00 0.00 C ATOM 619 C TYR A 383 9.879 12.186 -5.929 1.00 0.00 C ATOM 620 O TYR A 383 9.960 13.414 -5.940 1.00 0.00 O ATOM 621 CB TYR A 383 7.642 11.460 -6.782 1.00 0.00 C ATOM 622 CG TYR A 383 8.206 10.690 -7.955 1.00 0.00 C ATOM 623 CD1 TYR A 383 8.617 9.371 -7.813 1.00 0.00 C ATOM 624 CD2 TYR A 383 8.326 11.283 -9.206 1.00 0.00 C ATOM 625 CE1 TYR A 383 9.133 8.664 -8.881 1.00 0.00 C ATOM 626 CE2 TYR A 383 8.840 10.583 -10.281 1.00 0.00 C ATOM 627 CZ TYR A 383 9.242 9.275 -10.114 1.00 0.00 C ATOM 628 OH TYR A 383 9.755 8.574 -11.181 1.00 0.00 O ATOM 0 H TYR A 383 7.311 12.937 -4.716 1.00 0.00 H new ATOM 0 HA TYR A 383 8.795 10.468 -5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 383 6.690 11.016 -6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 383 7.434 12.483 -7.096 1.00 0.00 H new ATOM 0 HD1 TYR A 383 8.531 8.890 -6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 383 8.012 12.308 -9.340 1.00 0.00 H new ATOM 0 HE1 TYR A 383 9.449 7.639 -8.752 1.00 0.00 H new ATOM 0 HE2 TYR A 383 8.926 11.058 -11.247 1.00 0.00 H new ATOM 0 HH TYR A 383 9.763 9.147 -11.976 1.00 0.00 H new ATOM 638 N SER A 384 10.901 11.390 -6.227 1.00 0.00 N ATOM 639 CA SER A 384 12.208 11.927 -6.588 1.00 0.00 C ATOM 640 C SER A 384 12.312 12.137 -8.096 1.00 0.00 C ATOM 641 O SER A 384 11.882 11.293 -8.882 1.00 0.00 O ATOM 642 CB SER A 384 13.318 10.986 -6.115 1.00 0.00 C ATOM 643 OG SER A 384 13.002 10.418 -4.856 1.00 0.00 O ATOM 0 H SER A 384 10.849 10.371 -6.226 1.00 0.00 H new ATOM 0 HA SER A 384 12.325 12.892 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 384 13.464 10.193 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 384 14.258 11.533 -6.045 1.00 0.00 H new ATOM 0 HG SER A 384 13.726 9.819 -4.576 1.00 0.00 H new ATOM 649 N SER A 385 12.886 13.269 -8.491 1.00 0.00 N ATOM 650 CA SER A 385 13.043 13.593 -9.904 1.00 0.00 C ATOM 651 C SER A 385 14.360 13.043 -10.444 1.00 0.00 C ATOM 652 O SER A 385 15.438 13.456 -10.019 1.00 0.00 O ATOM 653 CB SER A 385 12.986 15.107 -10.111 1.00 0.00 C ATOM 654 OG SER A 385 11.675 15.602 -9.902 1.00 0.00 O ATOM 0 H SER A 385 13.250 13.977 -7.853 1.00 0.00 H new ATOM 0 HA SER A 385 12.223 13.128 -10.452 1.00 0.00 H new ATOM 0 HB2 SER A 385 13.677 15.597 -9.425 1.00 0.00 H new ATOM 0 HB3 SER A 385 13.313 15.351 -11.121 1.00 0.00 H new ATOM 0 HG SER A 385 11.666 16.572 -10.039 1.00 0.00 H new ATOM 660 N GLY A 386 14.263 12.108 -11.384 1.00 0.00 N ATOM 661 CA GLY A 386 15.453 11.516 -11.968 1.00 0.00 C ATOM 662 C GLY A 386 15.249 10.065 -12.355 1.00 0.00 C ATOM 663 O GLY A 386 15.769 9.151 -11.716 1.00 0.00 O ATOM 0 H GLY A 386 13.382 11.750 -11.752 1.00 0.00 H new ATOM 0 HA2 GLY A 386 15.743 12.087 -12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 386 16.276 11.587 -11.257 1.00 0.00 H new ATOM 667 N PRO A 387 14.472 9.838 -13.424 1.00 0.00 N ATOM 668 CA PRO A 387 14.181 8.489 -13.919 1.00 0.00 C ATOM 669 C PRO A 387 15.403 7.824 -14.543 1.00 0.00 C ATOM 670 O PRO A 387 16.408 8.481 -14.814 1.00 0.00 O ATOM 671 CB PRO A 387 13.102 8.725 -14.979 1.00 0.00 C ATOM 672 CG PRO A 387 13.319 10.126 -15.435 1.00 0.00 C ATOM 673 CD PRO A 387 13.819 10.880 -14.234 1.00 0.00 C ATOM 0 HA PRO A 387 13.871 7.819 -13.117 1.00 0.00 H new ATOM 0 HB2 PRO A 387 13.198 8.020 -15.805 1.00 0.00 H new ATOM 0 HB3 PRO A 387 12.103 8.594 -14.563 1.00 0.00 H new ATOM 0 HG2 PRO A 387 14.043 10.164 -16.249 1.00 0.00 H new ATOM 0 HG3 PRO A 387 12.393 10.562 -15.812 1.00 0.00 H new ATOM 0 HD2 PRO A 387 14.519 11.667 -14.516 1.00 0.00 H new ATOM 0 HD3 PRO A 387 13.003 11.358 -13.692 1.00 0.00 H new ATOM 681 N SER A 388 15.310 6.517 -14.767 1.00 0.00 N ATOM 682 CA SER A 388 16.410 5.763 -15.356 1.00 0.00 C ATOM 683 C SER A 388 16.092 5.374 -16.797 1.00 0.00 C ATOM 684 O SER A 388 15.527 4.311 -17.054 1.00 0.00 O ATOM 685 CB SER A 388 16.697 4.508 -14.529 1.00 0.00 C ATOM 686 OG SER A 388 15.574 3.644 -14.507 1.00 0.00 O ATOM 0 H SER A 388 14.485 5.959 -14.550 1.00 0.00 H new ATOM 0 HA SER A 388 17.295 6.400 -15.356 1.00 0.00 H new ATOM 0 HB2 SER A 388 17.556 3.982 -14.946 1.00 0.00 H new ATOM 0 HB3 SER A 388 16.961 4.792 -13.510 1.00 0.00 H new ATOM 0 HG SER A 388 15.240 3.518 -15.420 1.00 0.00 H new ATOM 692 N SER A 389 16.459 6.243 -17.733 1.00 0.00 N ATOM 693 CA SER A 389 16.211 5.994 -19.148 1.00 0.00 C ATOM 694 C SER A 389 17.278 5.074 -19.733 1.00 0.00 C ATOM 695 O SER A 389 18.251 5.534 -20.330 1.00 0.00 O ATOM 696 CB SER A 389 16.178 7.313 -19.922 1.00 0.00 C ATOM 697 OG SER A 389 17.191 8.195 -19.470 1.00 0.00 O ATOM 0 H SER A 389 16.930 7.126 -17.537 1.00 0.00 H new ATOM 0 HA SER A 389 15.242 5.503 -19.241 1.00 0.00 H new ATOM 0 HB2 SER A 389 16.310 7.117 -20.986 1.00 0.00 H new ATOM 0 HB3 SER A 389 15.202 7.784 -19.803 1.00 0.00 H new ATOM 0 HG SER A 389 18.064 7.755 -19.542 1.00 0.00 H new ATOM 703 N GLY A 390 17.088 3.770 -19.557 1.00 0.00 N ATOM 704 CA GLY A 390 18.041 2.805 -20.073 1.00 0.00 C ATOM 705 C GLY A 390 17.376 1.706 -20.877 1.00 0.00 C ATOM 706 O GLY A 390 16.479 2.000 -21.666 1.00 0.00 O ATOM 0 H GLY A 390 16.291 3.365 -19.066 1.00 0.00 H new ATOM 0 HA2 GLY A 390 18.770 3.319 -20.699 1.00 0.00 H new ATOM 0 HA3 GLY A 390 18.590 2.362 -19.242 1.00 0.00 H new TER 710 GLY A 390 HETATM 711 ZN ZN A 201 3.138 -0.828 2.720 1.00 0.00 ZN