USER MOD reduce.3.24.130724 H: found=0, std=0, add=349, rem=0, adj=16 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 Set 1.1: A 371 ASN : amide:sc= -0.0763 K(o=-0.11,f=-6.2!) USER MOD Set 1.2: A 374 LYS NZ :NH3+ 144:sc= -0.0366 (180deg=-1.1) USER MOD Set 2.1: A 344 SER OG : rot 180:sc= 0 USER MOD Set 2.2: 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 180:sc= 0 USER MOD Single : A 351 THR OG1 : rot 180:sc= 0 USER MOD Single : A 353 LYS NZ :NH3+ 148:sc= -0.149 (180deg=-1.41!) USER MOD Single : A 354 GLN : amide:sc= -0.798 K(o=-0.8,f=-1.5!) USER MOD Single : A 362 LYS NZ :NH3+ -170:sc= -0.206 (180deg=-0.376) USER MOD Single : A 368 TYR OH : rot 180:sc= 0 USER MOD Single : A 369 HIS : no HD1:sc= -0.0759 X(o=-0.076,f=-0.28) USER MOD Single : A 376 SER OG : rot 180:sc= 0.0296 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= -0.0348 USER MOD Single : A 388 SER OG : rot -8:sc= 0.48 USER MOD Single : A 389 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 343 21.816 -17.030 4.773 1.00 0.00 N ATOM 2 CA GLY A 343 21.282 -18.177 4.061 1.00 0.00 C ATOM 3 C GLY A 343 20.906 -17.848 2.630 1.00 0.00 C ATOM 4 O GLY A 343 20.676 -16.686 2.293 1.00 0.00 O ATOM 0 HA2 GLY A 343 22.021 -18.979 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 343 20.404 -18.551 4.587 1.00 0.00 H new ATOM 8 N SER A 344 20.844 -18.872 1.786 1.00 0.00 N ATOM 9 CA SER A 344 20.499 -18.685 0.381 1.00 0.00 C ATOM 10 C SER A 344 19.067 -19.135 0.109 1.00 0.00 C ATOM 11 O SER A 344 18.333 -18.489 -0.639 1.00 0.00 O ATOM 12 CB SER A 344 21.468 -19.463 -0.512 1.00 0.00 C ATOM 13 OG SER A 344 21.607 -20.802 -0.068 1.00 0.00 O ATOM 0 H SER A 344 21.028 -19.840 2.050 1.00 0.00 H new ATOM 0 HA SER A 344 20.578 -17.622 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 344 21.107 -19.453 -1.541 1.00 0.00 H new ATOM 0 HB3 SER A 344 22.442 -18.973 -0.511 1.00 0.00 H new ATOM 0 HG SER A 344 22.230 -21.279 -0.656 1.00 0.00 H new ATOM 19 N SER A 345 18.676 -20.247 0.723 1.00 0.00 N ATOM 20 CA SER A 345 17.333 -20.787 0.545 1.00 0.00 C ATOM 21 C SER A 345 16.346 -20.111 1.492 1.00 0.00 C ATOM 22 O SER A 345 15.820 -20.738 2.410 1.00 0.00 O ATOM 23 CB SER A 345 17.332 -22.298 0.784 1.00 0.00 C ATOM 24 OG SER A 345 18.402 -22.923 0.096 1.00 0.00 O ATOM 0 H SER A 345 19.270 -20.792 1.348 1.00 0.00 H new ATOM 0 HA SER A 345 17.021 -20.588 -0.480 1.00 0.00 H new ATOM 0 HB2 SER A 345 17.414 -22.501 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 345 16.384 -22.722 0.451 1.00 0.00 H new ATOM 0 HG SER A 345 18.381 -23.888 0.266 1.00 0.00 H new ATOM 30 N GLY A 346 16.099 -18.825 1.260 1.00 0.00 N ATOM 31 CA GLY A 346 15.176 -18.083 2.099 1.00 0.00 C ATOM 32 C GLY A 346 13.738 -18.521 1.908 1.00 0.00 C ATOM 33 O GLY A 346 13.376 -19.649 2.242 1.00 0.00 O ATOM 0 H GLY A 346 16.522 -18.284 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 346 15.456 -18.212 3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 346 15.261 -17.020 1.875 1.00 0.00 H new ATOM 37 N SER A 347 12.915 -17.627 1.369 1.00 0.00 N ATOM 38 CA SER A 347 11.507 -17.925 1.138 1.00 0.00 C ATOM 39 C SER A 347 11.187 -17.916 -0.354 1.00 0.00 C ATOM 40 O SER A 347 10.844 -16.878 -0.920 1.00 0.00 O ATOM 41 CB SER A 347 10.623 -16.912 1.867 1.00 0.00 C ATOM 42 OG SER A 347 9.249 -17.194 1.664 1.00 0.00 O ATOM 0 H SER A 347 13.200 -16.690 1.084 1.00 0.00 H new ATOM 0 HA SER A 347 11.303 -18.922 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 347 10.847 -16.930 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 347 10.847 -15.906 1.511 1.00 0.00 H new ATOM 0 HG SER A 347 8.705 -16.533 2.142 1.00 0.00 H new ATOM 48 N SER A 348 11.302 -19.080 -0.985 1.00 0.00 N ATOM 49 CA SER A 348 11.029 -19.207 -2.411 1.00 0.00 C ATOM 50 C SER A 348 9.810 -20.092 -2.655 1.00 0.00 C ATOM 51 O SER A 348 9.779 -21.251 -2.244 1.00 0.00 O ATOM 52 CB SER A 348 12.246 -19.784 -3.136 1.00 0.00 C ATOM 53 OG SER A 348 13.408 -19.018 -2.871 1.00 0.00 O ATOM 0 H SER A 348 11.583 -19.949 -0.531 1.00 0.00 H new ATOM 0 HA SER A 348 10.819 -18.213 -2.805 1.00 0.00 H new ATOM 0 HB2 SER A 348 12.406 -20.815 -2.820 1.00 0.00 H new ATOM 0 HB3 SER A 348 12.058 -19.805 -4.209 1.00 0.00 H new ATOM 0 HG SER A 348 14.172 -19.408 -3.344 1.00 0.00 H new ATOM 59 N GLY A 349 8.807 -19.535 -3.327 1.00 0.00 N ATOM 60 CA GLY A 349 7.599 -20.287 -3.615 1.00 0.00 C ATOM 61 C GLY A 349 7.434 -20.576 -5.094 1.00 0.00 C ATOM 62 O GLY A 349 8.212 -20.095 -5.917 1.00 0.00 O ATOM 0 H GLY A 349 8.809 -18.577 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 349 7.620 -21.228 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 349 6.734 -19.729 -3.258 1.00 0.00 H new ATOM 66 N ARG A 350 6.419 -21.364 -5.431 1.00 0.00 N ATOM 67 CA ARG A 350 6.156 -21.719 -6.821 1.00 0.00 C ATOM 68 C ARG A 350 5.866 -20.474 -7.654 1.00 0.00 C ATOM 69 O ARG A 350 6.579 -20.174 -8.612 1.00 0.00 O ATOM 70 CB ARG A 350 4.977 -22.690 -6.908 1.00 0.00 C ATOM 71 CG ARG A 350 5.250 -24.038 -6.261 1.00 0.00 C ATOM 72 CD ARG A 350 6.292 -24.827 -7.038 1.00 0.00 C ATOM 73 NE ARG A 350 6.252 -26.251 -6.716 1.00 0.00 N ATOM 74 CZ ARG A 350 5.323 -27.082 -7.176 1.00 0.00 C ATOM 75 NH1 ARG A 350 4.363 -26.634 -7.972 1.00 0.00 N ATOM 76 NH2 ARG A 350 5.354 -28.365 -6.838 1.00 0.00 N ATOM 0 H ARG A 350 5.765 -21.769 -4.761 1.00 0.00 H new ATOM 0 HA ARG A 350 7.047 -22.204 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 350 4.108 -22.237 -6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 350 4.721 -22.845 -7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 350 5.594 -23.889 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 350 4.324 -24.611 -6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 350 6.126 -24.692 -8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 350 7.284 -24.433 -6.817 1.00 0.00 H new ATOM 0 HE ARG A 350 6.976 -26.628 -6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 350 4.336 -25.648 -8.233 1.00 0.00 H new ATOM 0 HH12 ARG A 350 3.651 -27.275 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 350 6.091 -28.713 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 350 4.641 -29.003 -7.191 1.00 0.00 H new ATOM 90 N THR A 351 4.813 -19.751 -7.282 1.00 0.00 N ATOM 91 CA THR A 351 4.427 -18.540 -7.995 1.00 0.00 C ATOM 92 C THR A 351 3.597 -17.621 -7.108 1.00 0.00 C ATOM 93 O THR A 351 2.757 -18.082 -6.334 1.00 0.00 O ATOM 94 CB THR A 351 3.624 -18.869 -9.268 1.00 0.00 C ATOM 95 OG1 THR A 351 3.239 -17.660 -9.930 1.00 0.00 O ATOM 96 CG2 THR A 351 2.386 -19.686 -8.931 1.00 0.00 C ATOM 0 H THR A 351 4.213 -19.984 -6.491 1.00 0.00 H new ATOM 0 HA THR A 351 5.349 -18.032 -8.277 1.00 0.00 H new ATOM 0 HB THR A 351 4.259 -19.458 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 351 2.731 -17.878 -10.739 1.00 0.00 H new ATOM 0 HG21 THR A 351 1.835 -19.906 -9.846 1.00 0.00 H new ATOM 0 HG22 THR A 351 2.685 -20.619 -8.454 1.00 0.00 H new ATOM 0 HG23 THR A 351 1.750 -19.119 -8.252 1.00 0.00 H new ATOM 104 N ARG A 352 3.836 -16.319 -7.224 1.00 0.00 N ATOM 105 CA ARG A 352 3.109 -15.334 -6.432 1.00 0.00 C ATOM 106 C ARG A 352 1.634 -15.304 -6.821 1.00 0.00 C ATOM 107 O ARG A 352 1.283 -14.919 -7.937 1.00 0.00 O ATOM 108 CB ARG A 352 3.725 -13.946 -6.614 1.00 0.00 C ATOM 109 CG ARG A 352 3.012 -12.856 -5.831 1.00 0.00 C ATOM 110 CD ARG A 352 3.899 -11.635 -5.642 1.00 0.00 C ATOM 111 NE ARG A 352 4.198 -10.975 -6.910 1.00 0.00 N ATOM 112 CZ ARG A 352 4.680 -9.740 -7.000 1.00 0.00 C ATOM 113 NH1 ARG A 352 4.915 -9.035 -5.901 1.00 0.00 N ATOM 114 NH2 ARG A 352 4.927 -9.208 -8.190 1.00 0.00 N ATOM 0 H ARG A 352 4.528 -15.921 -7.859 1.00 0.00 H new ATOM 0 HA ARG A 352 3.184 -15.622 -5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 352 4.770 -13.978 -6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 352 3.713 -13.688 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 352 2.100 -12.567 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 352 2.712 -13.243 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 352 3.407 -10.929 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 352 4.830 -11.934 -5.160 1.00 0.00 H new ATOM 0 HE ARG A 352 4.028 -11.490 -7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 352 4.726 -9.441 -4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 352 5.285 -8.087 -5.973 1.00 0.00 H new ATOM 0 HH21 ARG A 352 4.747 -9.747 -9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 352 5.297 -8.260 -8.258 1.00 0.00 H new ATOM 128 N LYS A 353 0.774 -15.713 -5.895 1.00 0.00 N ATOM 129 CA LYS A 353 -0.663 -15.732 -6.139 1.00 0.00 C ATOM 130 C LYS A 353 -1.394 -14.816 -5.163 1.00 0.00 C ATOM 131 O LYS A 353 -2.489 -15.134 -4.701 1.00 0.00 O ATOM 132 CB LYS A 353 -1.203 -17.159 -6.017 1.00 0.00 C ATOM 133 CG LYS A 353 -0.764 -17.869 -4.748 1.00 0.00 C ATOM 134 CD LYS A 353 -1.309 -19.286 -4.685 1.00 0.00 C ATOM 135 CE LYS A 353 -2.684 -19.326 -4.036 1.00 0.00 C ATOM 136 NZ LYS A 353 -3.764 -18.995 -5.006 1.00 0.00 N ATOM 0 H LYS A 353 1.048 -16.036 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 353 -0.838 -15.368 -7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -2.292 -17.130 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -0.874 -17.738 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 353 0.325 -17.895 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -1.106 -17.307 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -1.369 -19.699 -5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -0.621 -19.917 -4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -2.861 -20.318 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -2.714 -18.622 -3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -4.627 -19.518 -4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -3.957 -17.974 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -3.463 -19.262 -5.965 1.00 0.00 H new ATOM 150 N GLN A 354 -0.781 -13.677 -4.855 1.00 0.00 N ATOM 151 CA GLN A 354 -1.375 -12.715 -3.935 1.00 0.00 C ATOM 152 C GLN A 354 -0.597 -11.403 -3.942 1.00 0.00 C ATOM 153 O GLN A 354 0.492 -11.318 -4.510 1.00 0.00 O ATOM 154 CB GLN A 354 -1.414 -13.290 -2.518 1.00 0.00 C ATOM 155 CG GLN A 354 -0.056 -13.324 -1.837 1.00 0.00 C ATOM 156 CD GLN A 354 -0.044 -14.202 -0.601 1.00 0.00 C ATOM 157 OE1 GLN A 354 -1.007 -14.917 -0.324 1.00 0.00 O ATOM 158 NE2 GLN A 354 1.051 -14.153 0.150 1.00 0.00 N ATOM 0 H GLN A 354 0.126 -13.399 -5.229 1.00 0.00 H new ATOM 0 HA GLN A 354 -2.394 -12.514 -4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -2.100 -12.697 -1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -1.817 -14.302 -2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 354 0.691 -13.687 -2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 354 0.233 -12.310 -1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 354 1.826 -13.546 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 354 1.117 -14.722 0.994 1.00 0.00 H new ATOM 167 N VAL A 355 -1.163 -10.382 -3.308 1.00 0.00 N ATOM 168 CA VAL A 355 -0.523 -9.073 -3.240 1.00 0.00 C ATOM 169 C VAL A 355 0.252 -8.907 -1.938 1.00 0.00 C ATOM 170 O VAL A 355 -0.232 -9.269 -0.866 1.00 0.00 O ATOM 171 CB VAL A 355 -1.555 -7.936 -3.360 1.00 0.00 C ATOM 172 CG1 VAL A 355 -0.855 -6.591 -3.478 1.00 0.00 C ATOM 173 CG2 VAL A 355 -2.475 -8.175 -4.548 1.00 0.00 C ATOM 0 H VAL A 355 -2.064 -10.435 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 355 0.169 -9.015 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 355 -2.164 -7.923 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 355 -1.600 -5.799 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 355 -0.243 -6.421 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 355 -0.220 -6.588 -4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 355 -3.198 -7.362 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 355 -1.884 -8.215 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 355 -3.003 -9.119 -4.415 1.00 0.00 H new ATOM 183 N ALA A 356 1.457 -8.357 -2.038 1.00 0.00 N ATOM 184 CA ALA A 356 2.298 -8.140 -0.868 1.00 0.00 C ATOM 185 C ALA A 356 3.009 -6.793 -0.945 1.00 0.00 C ATOM 186 O ALA A 356 3.867 -6.580 -1.803 1.00 0.00 O ATOM 187 CB ALA A 356 3.311 -9.266 -0.730 1.00 0.00 C ATOM 0 H ALA A 356 1.873 -8.053 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 356 1.657 -8.133 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 356 3.932 -9.091 0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 356 2.787 -10.215 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 356 3.941 -9.300 -1.619 1.00 0.00 H new ATOM 193 N CYS A 357 2.648 -5.886 -0.044 1.00 0.00 N ATOM 194 CA CYS A 357 3.250 -4.559 -0.010 1.00 0.00 C ATOM 195 C CYS A 357 4.722 -4.639 0.385 1.00 0.00 C ATOM 196 O CYS A 357 5.052 -4.993 1.516 1.00 0.00 O ATOM 197 CB CYS A 357 2.496 -3.659 0.971 1.00 0.00 C ATOM 198 SG CYS A 357 2.866 -1.884 0.788 1.00 0.00 S ATOM 0 H CYS A 357 1.941 -6.046 0.673 1.00 0.00 H new ATOM 0 HA CYS A 357 3.183 -4.132 -1.010 1.00 0.00 H new ATOM 0 HB2 CYS A 357 1.425 -3.811 0.838 1.00 0.00 H new ATOM 0 HB3 CYS A 357 2.737 -3.966 1.989 1.00 0.00 H new ATOM 203 N GLU A 358 5.600 -4.307 -0.556 1.00 0.00 N ATOM 204 CA GLU A 358 7.036 -4.343 -0.306 1.00 0.00 C ATOM 205 C GLU A 358 7.487 -3.098 0.453 1.00 0.00 C ATOM 206 O GLU A 358 8.514 -3.111 1.133 1.00 0.00 O ATOM 207 CB GLU A 358 7.803 -4.455 -1.625 1.00 0.00 C ATOM 208 CG GLU A 358 7.666 -3.231 -2.515 1.00 0.00 C ATOM 209 CD GLU A 358 7.812 -3.561 -3.988 1.00 0.00 C ATOM 210 OE1 GLU A 358 7.085 -4.456 -4.469 1.00 0.00 O ATOM 211 OE2 GLU A 358 8.651 -2.925 -4.659 1.00 0.00 O ATOM 0 H GLU A 358 5.342 -4.010 -1.497 1.00 0.00 H new ATOM 0 HA GLU A 358 7.251 -5.219 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 358 8.858 -4.620 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 358 7.448 -5.331 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 358 6.693 -2.770 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 358 8.421 -2.496 -2.235 1.00 0.00 H new ATOM 218 N ILE A 359 6.713 -2.025 0.331 1.00 0.00 N ATOM 219 CA ILE A 359 7.033 -0.773 1.005 1.00 0.00 C ATOM 220 C ILE A 359 7.284 -0.998 2.492 1.00 0.00 C ATOM 221 O ILE A 359 8.274 -0.519 3.045 1.00 0.00 O ATOM 222 CB ILE A 359 5.903 0.261 0.837 1.00 0.00 C ATOM 223 CG1 ILE A 359 5.652 0.538 -0.647 1.00 0.00 C ATOM 224 CG2 ILE A 359 6.250 1.548 1.571 1.00 0.00 C ATOM 225 CD1 ILE A 359 4.331 1.222 -0.918 1.00 0.00 C ATOM 0 H ILE A 359 5.860 -1.998 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 359 7.940 -0.387 0.540 1.00 0.00 H new ATOM 0 HB ILE A 359 4.990 -0.146 1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 359 6.460 1.159 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 359 5.683 -0.404 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 359 5.442 2.269 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 359 6.384 1.337 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 359 7.173 1.961 1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 359 4.220 1.387 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 359 3.516 0.593 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 359 4.304 2.180 -0.399 1.00 0.00 H new ATOM 237 N CYS A 360 6.380 -1.730 3.135 1.00 0.00 N ATOM 238 CA CYS A 360 6.503 -2.021 4.558 1.00 0.00 C ATOM 239 C CYS A 360 6.619 -3.524 4.798 1.00 0.00 C ATOM 240 O CYS A 360 7.406 -3.971 5.632 1.00 0.00 O ATOM 241 CB CYS A 360 5.300 -1.463 5.320 1.00 0.00 C ATOM 242 SG CYS A 360 3.689 -1.913 4.598 1.00 0.00 S ATOM 0 H CYS A 360 5.554 -2.133 2.692 1.00 0.00 H new ATOM 0 HA CYS A 360 7.411 -1.541 4.924 1.00 0.00 H new ATOM 0 HB2 CYS A 360 5.338 -1.820 6.349 1.00 0.00 H new ATOM 0 HB3 CYS A 360 5.379 -0.376 5.357 1.00 0.00 H new ATOM 247 N GLY A 361 5.829 -4.298 4.061 1.00 0.00 N ATOM 248 CA GLY A 361 5.858 -5.742 4.208 1.00 0.00 C ATOM 249 C GLY A 361 4.582 -6.288 4.816 1.00 0.00 C ATOM 250 O GLY A 361 4.520 -6.551 6.017 1.00 0.00 O ATOM 0 H GLY A 361 5.169 -3.951 3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 361 6.017 -6.200 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 361 6.705 -6.024 4.834 1.00 0.00 H new ATOM 254 N LYS A 362 3.559 -6.459 3.985 1.00 0.00 N ATOM 255 CA LYS A 362 2.276 -6.977 4.446 1.00 0.00 C ATOM 256 C LYS A 362 1.592 -7.790 3.352 1.00 0.00 C ATOM 257 O LYS A 362 1.604 -7.406 2.182 1.00 0.00 O ATOM 258 CB LYS A 362 1.367 -5.828 4.887 1.00 0.00 C ATOM 259 CG LYS A 362 1.922 -5.025 6.051 1.00 0.00 C ATOM 260 CD LYS A 362 0.811 -4.396 6.874 1.00 0.00 C ATOM 261 CE LYS A 362 -0.023 -3.434 6.042 1.00 0.00 C ATOM 262 NZ LYS A 362 -0.605 -2.343 6.872 1.00 0.00 N ATOM 0 H LYS A 362 3.594 -6.246 2.988 1.00 0.00 H new ATOM 0 HA LYS A 362 2.462 -7.632 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 362 1.203 -5.160 4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 362 0.394 -6.232 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 362 2.525 -5.673 6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 362 2.583 -4.245 5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 362 0.169 -5.178 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 362 1.242 -3.865 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 362 0.597 -3.001 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 362 -0.825 -3.982 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 362 -1.298 -1.810 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 362 -1.077 -2.753 7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 362 0.153 -1.703 7.185 1.00 0.00 H new ATOM 276 N ILE A 363 0.996 -8.912 3.739 1.00 0.00 N ATOM 277 CA ILE A 363 0.305 -9.777 2.790 1.00 0.00 C ATOM 278 C ILE A 363 -1.177 -9.427 2.707 1.00 0.00 C ATOM 279 O ILE A 363 -1.892 -9.465 3.708 1.00 0.00 O ATOM 280 CB ILE A 363 0.450 -11.261 3.173 1.00 0.00 C ATOM 281 CG1 ILE A 363 1.927 -11.632 3.315 1.00 0.00 C ATOM 282 CG2 ILE A 363 -0.226 -12.144 2.133 1.00 0.00 C ATOM 283 CD1 ILE A 363 2.712 -11.494 2.029 1.00 0.00 C ATOM 0 H ILE A 363 0.977 -9.244 4.703 1.00 0.00 H new ATOM 0 HA ILE A 363 0.770 -9.614 1.817 1.00 0.00 H new ATOM 0 HB ILE A 363 -0.039 -11.423 4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 363 2.380 -10.999 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 363 2.002 -12.660 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -0.115 -13.191 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.285 -11.893 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 363 0.238 -11.981 1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 363 3.751 -11.774 2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 363 2.284 -12.148 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 363 2.668 -10.461 1.685 1.00 0.00 H new ATOM 295 N PHE A 364 -1.632 -9.088 1.505 1.00 0.00 N ATOM 296 CA PHE A 364 -3.030 -8.732 1.290 1.00 0.00 C ATOM 297 C PHE A 364 -3.740 -9.796 0.458 1.00 0.00 C ATOM 298 O PHE A 364 -3.142 -10.803 0.077 1.00 0.00 O ATOM 299 CB PHE A 364 -3.131 -7.373 0.593 1.00 0.00 C ATOM 300 CG PHE A 364 -2.720 -6.221 1.465 1.00 0.00 C ATOM 301 CD1 PHE A 364 -3.603 -5.685 2.389 1.00 0.00 C ATOM 302 CD2 PHE A 364 -1.451 -5.675 1.361 1.00 0.00 C ATOM 303 CE1 PHE A 364 -3.227 -4.624 3.191 1.00 0.00 C ATOM 304 CE2 PHE A 364 -1.069 -4.615 2.162 1.00 0.00 C ATOM 305 CZ PHE A 364 -1.958 -4.089 3.078 1.00 0.00 C ATOM 0 H PHE A 364 -1.054 -9.052 0.666 1.00 0.00 H new ATOM 0 HA PHE A 364 -3.517 -8.671 2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 364 -2.506 -7.384 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 364 -4.158 -7.219 0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 364 -4.595 -6.101 2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 364 -0.752 -6.082 0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 364 -3.925 -4.213 3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 364 -0.076 -4.199 2.071 1.00 0.00 H new ATOM 0 HZ PHE A 364 -1.662 -3.261 3.705 1.00 0.00 H new ATOM 315 N ARG A 365 -5.019 -9.566 0.180 1.00 0.00 N ATOM 316 CA ARG A 365 -5.812 -10.505 -0.604 1.00 0.00 C ATOM 317 C ARG A 365 -5.985 -10.006 -2.036 1.00 0.00 C ATOM 318 O ARG A 365 -6.026 -10.797 -2.979 1.00 0.00 O ATOM 319 CB ARG A 365 -7.182 -10.714 0.044 1.00 0.00 C ATOM 320 CG ARG A 365 -7.153 -11.649 1.241 1.00 0.00 C ATOM 321 CD ARG A 365 -8.480 -11.647 1.983 1.00 0.00 C ATOM 322 NE ARG A 365 -8.808 -10.326 2.514 1.00 0.00 N ATOM 323 CZ ARG A 365 -8.205 -9.789 3.569 1.00 0.00 C ATOM 324 NH1 ARG A 365 -7.250 -10.455 4.202 1.00 0.00 N ATOM 325 NH2 ARG A 365 -8.559 -8.582 3.993 1.00 0.00 N ATOM 0 H ARG A 365 -5.528 -8.737 0.486 1.00 0.00 H new ATOM 0 HA ARG A 365 -5.282 -11.457 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 365 -7.577 -9.748 0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 365 -7.870 -11.113 -0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 365 -6.923 -12.661 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 365 -6.355 -11.348 1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 365 -9.272 -11.974 1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 365 -8.439 -12.367 2.801 1.00 0.00 H new ATOM 0 HE ARG A 365 -9.539 -9.787 2.050 1.00 0.00 H new ATOM 0 HH11 ARG A 365 -6.976 -11.383 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 365 -6.789 -10.040 5.012 1.00 0.00 H new ATOM 0 HH21 ARG A 365 -9.294 -8.067 3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 365 -8.096 -8.170 4.803 1.00 0.00 H new ATOM 339 N ASP A 366 -6.088 -8.691 -2.190 1.00 0.00 N ATOM 340 CA ASP A 366 -6.256 -8.086 -3.507 1.00 0.00 C ATOM 341 C ASP A 366 -5.608 -6.706 -3.558 1.00 0.00 C ATOM 342 O ASP A 366 -5.160 -6.181 -2.538 1.00 0.00 O ATOM 343 CB ASP A 366 -7.741 -7.979 -3.856 1.00 0.00 C ATOM 344 CG ASP A 366 -8.412 -9.335 -3.952 1.00 0.00 C ATOM 345 OD1 ASP A 366 -7.965 -10.161 -4.775 1.00 0.00 O ATOM 346 OD2 ASP A 366 -9.385 -9.571 -3.205 1.00 0.00 O ATOM 0 H ASP A 366 -6.058 -8.023 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 366 -5.763 -8.726 -4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -8.247 -7.379 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -7.851 -7.454 -4.805 1.00 0.00 H new ATOM 351 N VAL A 367 -5.562 -6.124 -4.752 1.00 0.00 N ATOM 352 CA VAL A 367 -4.969 -4.804 -4.936 1.00 0.00 C ATOM 353 C VAL A 367 -5.930 -3.704 -4.501 1.00 0.00 C ATOM 354 O VAL A 367 -5.508 -2.623 -4.091 1.00 0.00 O ATOM 355 CB VAL A 367 -4.568 -4.570 -6.405 1.00 0.00 C ATOM 356 CG1 VAL A 367 -3.955 -3.188 -6.577 1.00 0.00 C ATOM 357 CG2 VAL A 367 -3.606 -5.651 -6.873 1.00 0.00 C ATOM 0 H VAL A 367 -5.928 -6.545 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 367 -4.076 -4.768 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 367 -5.465 -4.623 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 367 -3.678 -3.040 -7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 367 -4.680 -2.429 -6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 367 -3.067 -3.103 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 367 -3.333 -5.470 -7.913 1.00 0.00 H new ATOM 0 HG22 VAL A 367 -2.709 -5.633 -6.254 1.00 0.00 H new ATOM 0 HG23 VAL A 367 -4.085 -6.626 -6.788 1.00 0.00 H new ATOM 367 N TYR A 368 -7.225 -3.987 -4.593 1.00 0.00 N ATOM 368 CA TYR A 368 -8.247 -3.020 -4.211 1.00 0.00 C ATOM 369 C TYR A 368 -8.055 -2.566 -2.767 1.00 0.00 C ATOM 370 O TYR A 368 -8.442 -1.458 -2.396 1.00 0.00 O ATOM 371 CB TYR A 368 -9.641 -3.625 -4.386 1.00 0.00 C ATOM 372 CG TYR A 368 -10.761 -2.693 -3.982 1.00 0.00 C ATOM 373 CD1 TYR A 368 -11.194 -1.685 -4.835 1.00 0.00 C ATOM 374 CD2 TYR A 368 -11.385 -2.818 -2.747 1.00 0.00 C ATOM 375 CE1 TYR A 368 -12.216 -0.831 -4.470 1.00 0.00 C ATOM 376 CE2 TYR A 368 -12.408 -1.969 -2.374 1.00 0.00 C ATOM 377 CZ TYR A 368 -12.820 -0.977 -3.239 1.00 0.00 C ATOM 378 OH TYR A 368 -13.839 -0.128 -2.871 1.00 0.00 O ATOM 0 H TYR A 368 -7.591 -4.878 -4.929 1.00 0.00 H new ATOM 0 HA TYR A 368 -8.151 -2.151 -4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 368 -9.776 -3.910 -5.429 1.00 0.00 H new ATOM 0 HB3 TYR A 368 -9.708 -4.538 -3.795 1.00 0.00 H new ATOM 0 HD1 TYR A 368 -10.723 -1.567 -5.800 1.00 0.00 H new ATOM 0 HD2 TYR A 368 -11.064 -3.593 -2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 368 -12.540 -0.053 -5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 368 -12.883 -2.081 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 368 -14.156 -0.367 -1.975 1.00 0.00 H new ATOM 388 N HIS A 369 -7.453 -3.431 -1.957 1.00 0.00 N ATOM 389 CA HIS A 369 -7.207 -3.119 -0.553 1.00 0.00 C ATOM 390 C HIS A 369 -5.875 -2.395 -0.383 1.00 0.00 C ATOM 391 O HIS A 369 -5.725 -1.550 0.502 1.00 0.00 O ATOM 392 CB HIS A 369 -7.216 -4.399 0.284 1.00 0.00 C ATOM 393 CG HIS A 369 -8.588 -4.945 0.529 1.00 0.00 C ATOM 394 ND1 HIS A 369 -9.696 -4.144 0.713 1.00 0.00 N ATOM 395 CD2 HIS A 369 -9.030 -6.222 0.617 1.00 0.00 C ATOM 396 CE1 HIS A 369 -10.759 -4.904 0.906 1.00 0.00 C ATOM 397 NE2 HIS A 369 -10.382 -6.169 0.852 1.00 0.00 N ATOM 0 H HIS A 369 -7.127 -4.353 -2.248 1.00 0.00 H new ATOM 0 HA HIS A 369 -8.004 -2.461 -0.207 1.00 0.00 H new ATOM 0 HB2 HIS A 369 -6.617 -5.157 -0.220 1.00 0.00 H new ATOM 0 HB3 HIS A 369 -6.737 -4.200 1.243 1.00 0.00 H new ATOM 0 HD2 HIS A 369 -8.431 -7.115 0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 369 -11.765 -4.551 1.079 1.00 0.00 H new ATOM 0 HE2 HIS A 369 -10.996 -6.976 0.966 1.00 0.00 H new ATOM 405 N LEU A 370 -4.912 -2.730 -1.234 1.00 0.00 N ATOM 406 CA LEU A 370 -3.592 -2.111 -1.177 1.00 0.00 C ATOM 407 C LEU A 370 -3.654 -0.653 -1.618 1.00 0.00 C ATOM 408 O LEU A 370 -2.883 0.182 -1.146 1.00 0.00 O ATOM 409 CB LEU A 370 -2.608 -2.881 -2.060 1.00 0.00 C ATOM 410 CG LEU A 370 -1.301 -2.162 -2.393 1.00 0.00 C ATOM 411 CD1 LEU A 370 -0.499 -1.897 -1.128 1.00 0.00 C ATOM 412 CD2 LEU A 370 -0.482 -2.975 -3.385 1.00 0.00 C ATOM 0 H LEU A 370 -5.020 -3.426 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 370 -3.247 -2.144 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 370 -2.366 -3.822 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 370 -3.109 -3.132 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 370 -1.544 -1.204 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 370 0.428 -1.385 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 370 -1.083 -1.273 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 370 -0.267 -2.843 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 370 0.445 -2.447 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 370 -0.250 -3.949 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 370 -1.054 -3.112 -4.303 1.00 0.00 H new ATOM 424 N ASN A 371 -4.579 -0.353 -2.524 1.00 0.00 N ATOM 425 CA ASN A 371 -4.744 1.006 -3.027 1.00 0.00 C ATOM 426 C ASN A 371 -4.885 1.999 -1.877 1.00 0.00 C ATOM 427 O ASN A 371 -4.166 2.997 -1.814 1.00 0.00 O ATOM 428 CB ASN A 371 -5.969 1.089 -3.940 1.00 0.00 C ATOM 429 CG ASN A 371 -5.723 0.456 -5.296 1.00 0.00 C ATOM 430 OD1 ASN A 371 -4.578 0.260 -5.704 1.00 0.00 O ATOM 431 ND2 ASN A 371 -6.801 0.135 -6.003 1.00 0.00 N ATOM 0 H ASN A 371 -5.226 -1.032 -2.925 1.00 0.00 H new ATOM 0 HA ASN A 371 -3.854 1.265 -3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 371 -6.812 0.594 -3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 371 -6.248 2.134 -4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 371 -6.699 -0.292 -6.924 1.00 0.00 H new ATOM 0 HD22 ASN A 371 -7.731 0.316 -5.625 1.00 0.00 H new ATOM 438 N ARG A 372 -5.814 1.717 -0.970 1.00 0.00 N ATOM 439 CA ARG A 372 -6.049 2.585 0.177 1.00 0.00 C ATOM 440 C ARG A 372 -4.849 2.579 1.119 1.00 0.00 C ATOM 441 O ARG A 372 -4.602 3.551 1.834 1.00 0.00 O ATOM 442 CB ARG A 372 -7.304 2.141 0.931 1.00 0.00 C ATOM 443 CG ARG A 372 -7.782 3.148 1.965 1.00 0.00 C ATOM 444 CD ARG A 372 -8.225 4.448 1.314 1.00 0.00 C ATOM 445 NE ARG A 372 -9.268 5.119 2.085 1.00 0.00 N ATOM 446 CZ ARG A 372 -10.536 4.725 2.105 1.00 0.00 C ATOM 447 NH1 ARG A 372 -10.916 3.668 1.400 1.00 0.00 N ATOM 448 NH2 ARG A 372 -11.427 5.387 2.832 1.00 0.00 N ATOM 0 H ARG A 372 -6.416 0.894 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 372 -6.195 3.600 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -8.105 1.962 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -7.103 1.191 1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -8.610 2.723 2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -6.980 3.350 2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -7.367 5.112 1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -8.593 4.243 0.309 1.00 0.00 H new ATOM 0 HE ARG A 372 -9.008 5.935 2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -10.234 3.156 0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -11.890 3.367 1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -11.138 6.200 3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -12.401 5.083 2.846 1.00 0.00 H new ATOM 462 N HIS A 373 -4.105 1.478 1.114 1.00 0.00 N ATOM 463 CA HIS A 373 -2.929 1.345 1.968 1.00 0.00 C ATOM 464 C HIS A 373 -1.792 2.230 1.468 1.00 0.00 C ATOM 465 O HIS A 373 -0.975 2.712 2.253 1.00 0.00 O ATOM 466 CB HIS A 373 -2.472 -0.113 2.018 1.00 0.00 C ATOM 467 CG HIS A 373 -1.166 -0.307 2.725 1.00 0.00 C ATOM 468 ND1 HIS A 373 -1.060 -0.414 4.096 1.00 0.00 N ATOM 469 CD2 HIS A 373 0.094 -0.415 2.242 1.00 0.00 C ATOM 470 CE1 HIS A 373 0.208 -0.577 4.426 1.00 0.00 C ATOM 471 NE2 HIS A 373 0.930 -0.582 3.320 1.00 0.00 N ATOM 0 H HIS A 373 -4.295 0.665 0.528 1.00 0.00 H new ATOM 0 HA HIS A 373 -3.201 1.667 2.973 1.00 0.00 H new ATOM 0 HB2 HIS A 373 -3.237 -0.708 2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 373 -2.385 -0.493 1.000 1.00 0.00 H new ATOM 0 HD1 HIS A 373 -1.840 -0.374 4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 373 0.388 -0.377 1.203 1.00 0.00 H new ATOM 0 HE1 HIS A 373 0.590 -0.688 5.430 1.00 0.00 H new ATOM 479 N LYS A 374 -1.744 2.440 0.157 1.00 0.00 N ATOM 480 CA LYS A 374 -0.708 3.267 -0.449 1.00 0.00 C ATOM 481 C LYS A 374 -0.826 4.715 0.017 1.00 0.00 C ATOM 482 O LYS A 374 0.177 5.365 0.317 1.00 0.00 O ATOM 483 CB LYS A 374 -0.802 3.202 -1.975 1.00 0.00 C ATOM 484 CG LYS A 374 -0.450 1.841 -2.549 1.00 0.00 C ATOM 485 CD LYS A 374 0.011 1.946 -3.993 1.00 0.00 C ATOM 486 CE LYS A 374 -0.318 0.685 -4.777 1.00 0.00 C ATOM 487 NZ LYS A 374 -1.753 0.636 -5.173 1.00 0.00 N ATOM 0 H LYS A 374 -2.412 2.048 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 374 0.261 2.880 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 374 -1.815 3.464 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 374 -0.136 3.951 -2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 374 0.336 1.384 -1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 374 -1.318 1.185 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 374 -0.465 2.805 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 374 1.086 2.123 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 374 0.307 0.639 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 374 -0.078 -0.191 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 374 -1.839 0.199 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 374 -2.286 0.073 -4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 374 -2.138 1.602 -5.204 1.00 0.00 H new ATOM 501 N LEU A 375 -2.055 5.214 0.076 1.00 0.00 N ATOM 502 CA LEU A 375 -2.304 6.585 0.508 1.00 0.00 C ATOM 503 C LEU A 375 -1.763 6.820 1.915 1.00 0.00 C ATOM 504 O LEU A 375 -1.338 7.925 2.250 1.00 0.00 O ATOM 505 CB LEU A 375 -3.803 6.889 0.468 1.00 0.00 C ATOM 506 CG LEU A 375 -4.440 6.942 -0.921 1.00 0.00 C ATOM 507 CD1 LEU A 375 -5.923 7.262 -0.815 1.00 0.00 C ATOM 508 CD2 LEU A 375 -3.732 7.967 -1.794 1.00 0.00 C ATOM 0 H LEU A 375 -2.895 4.690 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 375 -1.785 7.255 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 375 -4.323 6.132 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 375 -3.972 7.847 0.960 1.00 0.00 H new ATOM 0 HG LEU A 375 -4.333 5.963 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 375 -6.360 7.296 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 375 -6.420 6.491 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 375 -6.053 8.229 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 375 -4.199 7.991 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 375 -3.807 8.952 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 375 -2.682 7.694 -1.897 1.00 0.00 H new ATOM 520 N SER A 376 -1.781 5.772 2.733 1.00 0.00 N ATOM 521 CA SER A 376 -1.294 5.865 4.104 1.00 0.00 C ATOM 522 C SER A 376 0.217 6.074 4.130 1.00 0.00 C ATOM 523 O SER A 376 0.744 6.769 5.000 1.00 0.00 O ATOM 524 CB SER A 376 -1.659 4.600 4.884 1.00 0.00 C ATOM 525 OG SER A 376 -2.864 4.033 4.400 1.00 0.00 O ATOM 0 H SER A 376 -2.127 4.849 2.470 1.00 0.00 H new ATOM 0 HA SER A 376 -1.771 6.724 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 376 -0.852 3.872 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 376 -1.765 4.839 5.942 1.00 0.00 H new ATOM 0 HG SER A 376 -3.075 3.225 4.913 1.00 0.00 H new ATOM 531 N HIS A 377 0.909 5.466 3.172 1.00 0.00 N ATOM 532 CA HIS A 377 2.360 5.585 3.084 1.00 0.00 C ATOM 533 C HIS A 377 2.771 7.029 2.811 1.00 0.00 C ATOM 534 O HIS A 377 1.949 7.855 2.415 1.00 0.00 O ATOM 535 CB HIS A 377 2.903 4.672 1.984 1.00 0.00 C ATOM 536 CG HIS A 377 3.161 3.270 2.443 1.00 0.00 C ATOM 537 ND1 HIS A 377 3.749 2.971 3.654 1.00 0.00 N ATOM 538 CD2 HIS A 377 2.905 2.082 1.847 1.00 0.00 C ATOM 539 CE1 HIS A 377 3.846 1.659 3.782 1.00 0.00 C ATOM 540 NE2 HIS A 377 3.340 1.097 2.699 1.00 0.00 N ATOM 0 H HIS A 377 0.489 4.886 2.446 1.00 0.00 H new ATOM 0 HA HIS A 377 2.783 5.279 4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 377 2.193 4.650 1.158 1.00 0.00 H new ATOM 0 HB3 HIS A 377 3.830 5.095 1.596 1.00 0.00 H new ATOM 0 HD1 HIS A 377 4.060 3.655 4.343 1.00 0.00 H new ATOM 0 HD2 HIS A 377 2.444 1.936 0.881 1.00 0.00 H new ATOM 0 HE1 HIS A 377 4.267 1.136 4.628 1.00 0.00 H new ATOM 548 N SER A 378 4.049 7.327 3.026 1.00 0.00 N ATOM 549 CA SER A 378 4.568 8.672 2.808 1.00 0.00 C ATOM 550 C SER A 378 5.445 8.720 1.560 1.00 0.00 C ATOM 551 O SER A 378 5.259 9.569 0.690 1.00 0.00 O ATOM 552 CB SER A 378 5.368 9.136 4.026 1.00 0.00 C ATOM 553 OG SER A 378 6.250 10.192 3.684 1.00 0.00 O ATOM 0 H SER A 378 4.744 6.655 3.351 1.00 0.00 H new ATOM 0 HA SER A 378 3.721 9.343 2.662 1.00 0.00 H new ATOM 0 HB2 SER A 378 4.686 9.467 4.809 1.00 0.00 H new ATOM 0 HB3 SER A 378 5.937 8.299 4.432 1.00 0.00 H new ATOM 0 HG SER A 378 6.749 10.472 4.480 1.00 0.00 H new ATOM 559 N GLY A 379 6.402 7.800 1.481 1.00 0.00 N ATOM 560 CA GLY A 379 7.294 7.754 0.338 1.00 0.00 C ATOM 561 C GLY A 379 8.626 8.423 0.614 1.00 0.00 C ATOM 562 O GLY A 379 8.891 9.518 0.120 1.00 0.00 O ATOM 0 H GLY A 379 6.575 7.086 2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 379 7.464 6.715 0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 379 6.816 8.241 -0.512 1.00 0.00 H new ATOM 566 N GLU A 380 9.465 7.763 1.407 1.00 0.00 N ATOM 567 CA GLU A 380 10.775 8.303 1.750 1.00 0.00 C ATOM 568 C GLU A 380 11.615 8.530 0.496 1.00 0.00 C ATOM 569 O GLU A 380 11.945 7.588 -0.224 1.00 0.00 O ATOM 570 CB GLU A 380 11.508 7.356 2.703 1.00 0.00 C ATOM 571 CG GLU A 380 10.870 7.264 4.079 1.00 0.00 C ATOM 572 CD GLU A 380 10.882 8.589 4.817 1.00 0.00 C ATOM 573 OE1 GLU A 380 11.966 9.003 5.277 1.00 0.00 O ATOM 574 OE2 GLU A 380 9.805 9.212 4.932 1.00 0.00 O ATOM 0 H GLU A 380 9.261 6.855 1.823 1.00 0.00 H new ATOM 0 HA GLU A 380 10.626 9.262 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 380 11.540 6.361 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 380 12.540 7.690 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 380 9.841 6.919 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 380 11.399 6.517 4.672 1.00 0.00 H new ATOM 581 N LYS A 381 11.957 9.788 0.241 1.00 0.00 N ATOM 582 CA LYS A 381 12.758 10.143 -0.925 1.00 0.00 C ATOM 583 C LYS A 381 13.842 11.150 -0.554 1.00 0.00 C ATOM 584 O LYS A 381 13.800 12.316 -0.948 1.00 0.00 O ATOM 585 CB LYS A 381 11.866 10.719 -2.027 1.00 0.00 C ATOM 586 CG LYS A 381 10.875 9.717 -2.594 1.00 0.00 C ATOM 587 CD LYS A 381 11.559 8.712 -3.505 1.00 0.00 C ATOM 588 CE LYS A 381 10.827 7.379 -3.513 1.00 0.00 C ATOM 589 NZ LYS A 381 11.681 6.280 -4.043 1.00 0.00 N ATOM 0 H LYS A 381 11.692 10.580 0.827 1.00 0.00 H new ATOM 0 HA LYS A 381 13.239 9.237 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 381 11.318 11.574 -1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 381 12.496 11.091 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 381 10.380 9.191 -1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 381 10.100 10.245 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 381 11.604 9.110 -4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 381 12.587 8.562 -3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 381 10.507 7.134 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 381 9.926 7.463 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 11.146 5.388 -4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 11.965 6.501 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 12.529 6.182 -3.449 1.00 0.00 H new ATOM 603 N PRO A 382 14.837 10.692 0.220 1.00 0.00 N ATOM 604 CA PRO A 382 15.952 11.537 0.659 1.00 0.00 C ATOM 605 C PRO A 382 16.884 11.909 -0.489 1.00 0.00 C ATOM 606 O PRO A 382 17.242 13.074 -0.658 1.00 0.00 O ATOM 607 CB PRO A 382 16.682 10.659 1.678 1.00 0.00 C ATOM 608 CG PRO A 382 16.346 9.262 1.285 1.00 0.00 C ATOM 609 CD PRO A 382 14.951 9.314 0.726 1.00 0.00 C ATOM 0 HA PRO A 382 15.608 12.488 1.065 1.00 0.00 H new ATOM 0 HB2 PRO A 382 17.758 10.830 1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 382 16.352 10.874 2.694 1.00 0.00 H new ATOM 0 HG2 PRO A 382 17.050 8.885 0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 382 16.398 8.592 2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 382 14.809 8.581 -0.068 1.00 0.00 H new ATOM 0 HD3 PRO A 382 14.204 9.104 1.491 1.00 0.00 H new ATOM 617 N TYR A 383 17.273 10.911 -1.276 1.00 0.00 N ATOM 618 CA TYR A 383 18.165 11.134 -2.407 1.00 0.00 C ATOM 619 C TYR A 383 17.393 11.650 -3.617 1.00 0.00 C ATOM 620 O TYR A 383 16.296 11.178 -3.915 1.00 0.00 O ATOM 621 CB TYR A 383 18.896 9.840 -2.769 1.00 0.00 C ATOM 622 CG TYR A 383 20.103 10.054 -3.654 1.00 0.00 C ATOM 623 CD1 TYR A 383 21.305 10.508 -3.125 1.00 0.00 C ATOM 624 CD2 TYR A 383 20.042 9.802 -5.019 1.00 0.00 C ATOM 625 CE1 TYR A 383 22.411 10.706 -3.930 1.00 0.00 C ATOM 626 CE2 TYR A 383 21.143 9.995 -5.831 1.00 0.00 C ATOM 627 CZ TYR A 383 22.325 10.447 -5.282 1.00 0.00 C ATOM 628 OH TYR A 383 23.423 10.642 -6.088 1.00 0.00 O ATOM 0 H TYR A 383 16.984 9.941 -1.151 1.00 0.00 H new ATOM 0 HA TYR A 383 18.896 11.888 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 383 19.212 9.342 -1.852 1.00 0.00 H new ATOM 0 HB3 TYR A 383 18.201 9.169 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 383 21.376 10.710 -2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 383 19.118 9.449 -5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 383 23.337 11.061 -3.503 1.00 0.00 H new ATOM 0 HE2 TYR A 383 21.079 9.793 -6.890 1.00 0.00 H new ATOM 0 HH TYR A 383 23.195 10.412 -7.013 1.00 0.00 H new ATOM 638 N SER A 384 17.975 12.623 -4.312 1.00 0.00 N ATOM 639 CA SER A 384 17.342 13.207 -5.488 1.00 0.00 C ATOM 640 C SER A 384 18.173 12.943 -6.740 1.00 0.00 C ATOM 641 O SER A 384 19.211 13.570 -6.953 1.00 0.00 O ATOM 642 CB SER A 384 17.151 14.713 -5.296 1.00 0.00 C ATOM 643 OG SER A 384 16.910 15.358 -6.534 1.00 0.00 O ATOM 0 H SER A 384 18.884 13.023 -4.080 1.00 0.00 H new ATOM 0 HA SER A 384 16.366 12.738 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 384 16.316 14.894 -4.620 1.00 0.00 H new ATOM 0 HB3 SER A 384 18.038 15.139 -4.827 1.00 0.00 H new ATOM 0 HG SER A 384 16.790 16.319 -6.384 1.00 0.00 H new ATOM 649 N SER A 385 17.708 12.011 -7.566 1.00 0.00 N ATOM 650 CA SER A 385 18.409 11.661 -8.795 1.00 0.00 C ATOM 651 C SER A 385 17.679 12.216 -10.014 1.00 0.00 C ATOM 652 O SER A 385 18.303 12.679 -10.968 1.00 0.00 O ATOM 653 CB SER A 385 18.544 10.142 -8.916 1.00 0.00 C ATOM 654 OG SER A 385 17.323 9.553 -9.327 1.00 0.00 O ATOM 0 H SER A 385 16.849 11.485 -7.406 1.00 0.00 H new ATOM 0 HA SER A 385 19.404 12.105 -8.755 1.00 0.00 H new ATOM 0 HB2 SER A 385 19.328 9.899 -9.633 1.00 0.00 H new ATOM 0 HB3 SER A 385 18.849 9.723 -7.957 1.00 0.00 H new ATOM 0 HG SER A 385 17.436 8.582 -9.399 1.00 0.00 H new ATOM 660 N GLY A 386 16.351 12.166 -9.975 1.00 0.00 N ATOM 661 CA GLY A 386 15.556 12.666 -11.081 1.00 0.00 C ATOM 662 C GLY A 386 14.398 13.528 -10.620 1.00 0.00 C ATOM 663 O GLY A 386 14.153 13.688 -9.424 1.00 0.00 O ATOM 0 H GLY A 386 15.811 11.788 -9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 386 16.193 13.246 -11.749 1.00 0.00 H new ATOM 0 HA3 GLY A 386 15.172 11.825 -11.657 1.00 0.00 H new ATOM 667 N PRO A 387 13.664 14.105 -11.583 1.00 0.00 N ATOM 668 CA PRO A 387 12.514 14.967 -11.293 1.00 0.00 C ATOM 669 C PRO A 387 11.334 14.187 -10.724 1.00 0.00 C ATOM 670 O PRO A 387 11.352 12.956 -10.683 1.00 0.00 O ATOM 671 CB PRO A 387 12.157 15.554 -12.661 1.00 0.00 C ATOM 672 CG PRO A 387 12.665 14.557 -13.645 1.00 0.00 C ATOM 673 CD PRO A 387 13.899 13.959 -13.029 1.00 0.00 C ATOM 0 HA PRO A 387 12.748 15.719 -10.539 1.00 0.00 H new ATOM 0 HB2 PRO A 387 11.081 15.697 -12.762 1.00 0.00 H new ATOM 0 HB3 PRO A 387 12.623 16.528 -12.808 1.00 0.00 H new ATOM 0 HG2 PRO A 387 11.917 13.789 -13.844 1.00 0.00 H new ATOM 0 HG3 PRO A 387 12.896 15.032 -14.598 1.00 0.00 H new ATOM 0 HD2 PRO A 387 14.023 12.914 -13.312 1.00 0.00 H new ATOM 0 HD3 PRO A 387 14.800 14.484 -13.345 1.00 0.00 H new ATOM 681 N SER A 388 10.308 14.910 -10.286 1.00 0.00 N ATOM 682 CA SER A 388 9.120 14.285 -9.716 1.00 0.00 C ATOM 683 C SER A 388 7.880 15.133 -9.982 1.00 0.00 C ATOM 684 O SER A 388 7.830 16.309 -9.621 1.00 0.00 O ATOM 685 CB SER A 388 9.299 14.080 -8.210 1.00 0.00 C ATOM 686 OG SER A 388 9.008 15.268 -7.496 1.00 0.00 O ATOM 0 H SER A 388 10.276 15.929 -10.315 1.00 0.00 H new ATOM 0 HA SER A 388 8.984 13.315 -10.194 1.00 0.00 H new ATOM 0 HB2 SER A 388 8.645 13.277 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 388 10.322 13.768 -8.001 1.00 0.00 H new ATOM 0 HG SER A 388 8.881 16.007 -8.128 1.00 0.00 H new ATOM 692 N SER A 389 6.881 14.527 -10.615 1.00 0.00 N ATOM 693 CA SER A 389 5.642 15.226 -10.933 1.00 0.00 C ATOM 694 C SER A 389 4.703 15.242 -9.731 1.00 0.00 C ATOM 695 O SER A 389 3.757 14.459 -9.657 1.00 0.00 O ATOM 696 CB SER A 389 4.949 14.563 -12.126 1.00 0.00 C ATOM 697 OG SER A 389 5.873 14.293 -13.166 1.00 0.00 O ATOM 0 H SER A 389 6.906 13.553 -10.918 1.00 0.00 H new ATOM 0 HA SER A 389 5.891 16.255 -11.192 1.00 0.00 H new ATOM 0 HB2 SER A 389 4.475 13.635 -11.806 1.00 0.00 H new ATOM 0 HB3 SER A 389 4.157 15.213 -12.498 1.00 0.00 H new ATOM 0 HG SER A 389 5.407 13.868 -13.916 1.00 0.00 H new ATOM 703 N GLY A 390 4.973 16.141 -8.789 1.00 0.00 N ATOM 704 CA GLY A 390 4.145 16.244 -7.602 1.00 0.00 C ATOM 705 C GLY A 390 3.846 17.681 -7.226 1.00 0.00 C ATOM 706 O GLY A 390 3.003 18.305 -7.868 1.00 0.00 O ATOM 0 H GLY A 390 5.751 16.800 -8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 390 3.208 15.713 -7.769 1.00 0.00 H new ATOM 0 HA3 GLY A 390 4.646 15.751 -6.769 1.00 0.00 H new TER 710 GLY A 390 HETATM 711 ZN ZN A 201 2.831 -0.816 2.921 1.00 0.00 ZN