USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 328 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 Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 370 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.41) USER MOD Single : A 375 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0464) USER MOD Single : A 381 ASN : amide:sc= -0.889 X(o=-0.89,f=-0.6) USER MOD Single : A 383 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 THR OG1 : rot 180:sc= 0 USER MOD Single : A 393 HIS : no HD1:sc= -0.568 K(o=-0.57,f=-3.5!) USER MOD Single : A 394 MET CE :methyl 135:sc= -0.107 (180deg=-1.73) USER MOD Single : A 395 CYS SG : rot 180:sc= 0 USER MOD Single : A 396 TYR OH : rot 180:sc= 0 USER MOD Single : A 398 CYS SG : rot 180:sc= 0 USER MOD Single : A 401 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 GLN : amide:sc= -3.5! C(o=-3.5!,f=-7.9!) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -23.792 5.910 -0.731 1.00 0.00 N ATOM 2 CA GLY A 363 -22.884 6.998 -0.418 1.00 0.00 C ATOM 3 C GLY A 363 -22.060 6.727 0.825 1.00 0.00 C ATOM 4 O GLY A 363 -22.466 5.950 1.689 1.00 0.00 O ATOM 0 HA2 GLY A 363 -22.216 7.164 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -23.456 7.915 -0.278 1.00 0.00 H new ATOM 8 N SER A 364 -20.899 7.367 0.916 1.00 0.00 N ATOM 9 CA SER A 364 -20.014 7.187 2.061 1.00 0.00 C ATOM 10 C SER A 364 -19.860 8.490 2.839 1.00 0.00 C ATOM 11 O SER A 364 -20.009 9.579 2.284 1.00 0.00 O ATOM 12 CB SER A 364 -18.643 6.691 1.598 1.00 0.00 C ATOM 13 OG SER A 364 -18.733 5.394 1.035 1.00 0.00 O ATOM 0 H SER A 364 -20.549 8.015 0.210 1.00 0.00 H new ATOM 0 HA SER A 364 -20.459 6.442 2.720 1.00 0.00 H new ATOM 0 HB2 SER A 364 -18.232 7.382 0.862 1.00 0.00 H new ATOM 0 HB3 SER A 364 -17.954 6.677 2.442 1.00 0.00 H new ATOM 0 HG SER A 364 -17.844 5.101 0.745 1.00 0.00 H new ATOM 19 N SER A 365 -19.560 8.370 4.128 1.00 0.00 N ATOM 20 CA SER A 365 -19.389 9.537 4.985 1.00 0.00 C ATOM 21 C SER A 365 -18.116 9.419 5.817 1.00 0.00 C ATOM 22 O SER A 365 -17.558 8.333 5.968 1.00 0.00 O ATOM 23 CB SER A 365 -20.600 9.701 5.907 1.00 0.00 C ATOM 24 OG SER A 365 -21.786 9.902 5.158 1.00 0.00 O ATOM 0 H SER A 365 -19.430 7.476 4.602 1.00 0.00 H new ATOM 0 HA SER A 365 -19.305 10.416 4.346 1.00 0.00 H new ATOM 0 HB2 SER A 365 -20.707 8.815 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 365 -20.440 10.547 6.576 1.00 0.00 H new ATOM 0 HG SER A 365 -22.546 10.002 5.769 1.00 0.00 H new ATOM 30 N GLY A 366 -17.660 10.546 6.355 1.00 0.00 N ATOM 31 CA GLY A 366 -16.456 10.549 7.164 1.00 0.00 C ATOM 32 C GLY A 366 -15.209 10.267 6.349 1.00 0.00 C ATOM 33 O GLY A 366 -14.680 9.156 6.376 1.00 0.00 O ATOM 0 H GLY A 366 -18.104 11.458 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -16.354 11.517 7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -16.549 9.801 7.951 1.00 0.00 H new ATOM 37 N SER A 367 -14.739 11.275 5.621 1.00 0.00 N ATOM 38 CA SER A 367 -13.550 11.128 4.790 1.00 0.00 C ATOM 39 C SER A 367 -12.319 10.853 5.648 1.00 0.00 C ATOM 40 O SER A 367 -11.835 11.733 6.360 1.00 0.00 O ATOM 41 CB SER A 367 -13.330 12.388 3.951 1.00 0.00 C ATOM 42 OG SER A 367 -14.069 12.332 2.743 1.00 0.00 O ATOM 0 H SER A 367 -15.163 12.202 5.590 1.00 0.00 H new ATOM 0 HA SER A 367 -13.704 10.279 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 367 -13.629 13.266 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 367 -12.269 12.499 3.727 1.00 0.00 H new ATOM 0 HG SER A 367 -13.913 13.150 2.226 1.00 0.00 H new ATOM 48 N SER A 368 -11.817 9.624 5.574 1.00 0.00 N ATOM 49 CA SER A 368 -10.644 9.230 6.347 1.00 0.00 C ATOM 50 C SER A 368 -9.394 9.940 5.836 1.00 0.00 C ATOM 51 O SER A 368 -8.913 9.661 4.738 1.00 0.00 O ATOM 52 CB SER A 368 -10.448 7.714 6.278 1.00 0.00 C ATOM 53 OG SER A 368 -9.537 7.273 7.270 1.00 0.00 O ATOM 0 H SER A 368 -12.204 8.885 4.987 1.00 0.00 H new ATOM 0 HA SER A 368 -10.808 9.521 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 368 -11.407 7.213 6.412 1.00 0.00 H new ATOM 0 HB3 SER A 368 -10.079 7.436 5.291 1.00 0.00 H new ATOM 0 HG SER A 368 -9.430 6.301 7.207 1.00 0.00 H new ATOM 59 N GLY A 369 -8.872 10.860 6.641 1.00 0.00 N ATOM 60 CA GLY A 369 -7.683 11.596 6.254 1.00 0.00 C ATOM 61 C GLY A 369 -7.853 12.320 4.933 1.00 0.00 C ATOM 62 O GLY A 369 -8.933 12.302 4.344 1.00 0.00 O ATOM 0 H GLY A 369 -9.251 11.109 7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 369 -7.438 12.319 7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 369 -6.841 10.908 6.182 1.00 0.00 H new ATOM 66 N GLN A 370 -6.784 12.959 4.468 1.00 0.00 N ATOM 67 CA GLN A 370 -6.822 13.694 3.210 1.00 0.00 C ATOM 68 C GLN A 370 -5.940 13.023 2.161 1.00 0.00 C ATOM 69 O GLN A 370 -4.999 12.304 2.496 1.00 0.00 O ATOM 70 CB GLN A 370 -6.369 15.139 3.425 1.00 0.00 C ATOM 71 CG GLN A 370 -7.358 15.974 4.222 1.00 0.00 C ATOM 72 CD GLN A 370 -7.200 15.794 5.719 1.00 0.00 C ATOM 73 OE1 GLN A 370 -7.978 15.084 6.357 1.00 0.00 O ATOM 74 NE2 GLN A 370 -6.189 16.438 6.289 1.00 0.00 N ATOM 0 H GLN A 370 -5.882 12.982 4.943 1.00 0.00 H new ATOM 0 HA GLN A 370 -7.850 13.693 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 370 -5.409 15.137 3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 370 -6.208 15.609 2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 370 -7.225 17.026 3.970 1.00 0.00 H new ATOM 0 HG3 GLN A 370 -8.373 15.703 3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 370 -5.568 17.016 5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 370 -6.033 16.355 7.294 1.00 0.00 H new ATOM 83 N ASP A 371 -6.250 13.264 0.893 1.00 0.00 N ATOM 84 CA ASP A 371 -5.486 12.684 -0.205 1.00 0.00 C ATOM 85 C ASP A 371 -4.909 13.775 -1.102 1.00 0.00 C ATOM 86 O ASP A 371 -5.566 14.240 -2.032 1.00 0.00 O ATOM 87 CB ASP A 371 -6.367 11.743 -1.028 1.00 0.00 C ATOM 88 CG ASP A 371 -5.798 11.476 -2.408 1.00 0.00 C ATOM 89 OD1 ASP A 371 -6.100 12.255 -3.336 1.00 0.00 O ATOM 90 OD2 ASP A 371 -5.051 10.487 -2.559 1.00 0.00 O ATOM 0 H ASP A 371 -7.026 13.858 0.599 1.00 0.00 H new ATOM 0 HA ASP A 371 -4.660 12.115 0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 371 -6.481 10.798 -0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 371 -7.363 12.175 -1.126 1.00 0.00 H new ATOM 95 N GLY A 372 -3.676 14.181 -0.814 1.00 0.00 N ATOM 96 CA GLY A 372 -3.032 15.215 -1.602 1.00 0.00 C ATOM 97 C GLY A 372 -1.571 14.914 -1.870 1.00 0.00 C ATOM 98 O GLY A 372 -0.720 15.797 -1.770 1.00 0.00 O ATOM 0 H GLY A 372 -3.112 13.812 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 372 -3.557 15.324 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 372 -3.114 16.169 -1.081 1.00 0.00 H new ATOM 102 N GLY A 373 -1.278 13.663 -2.211 1.00 0.00 N ATOM 103 CA GLY A 373 0.092 13.270 -2.487 1.00 0.00 C ATOM 104 C GLY A 373 0.528 12.073 -1.666 1.00 0.00 C ATOM 105 O GLY A 373 1.599 12.084 -1.059 1.00 0.00 O ATOM 0 H GLY A 373 -1.965 12.914 -2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 373 0.193 13.036 -3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 373 0.756 14.109 -2.281 1.00 0.00 H new ATOM 109 N ARG A 374 -0.304 11.036 -1.646 1.00 0.00 N ATOM 110 CA ARG A 374 0.001 9.826 -0.892 1.00 0.00 C ATOM 111 C ARG A 374 -0.168 8.585 -1.763 1.00 0.00 C ATOM 112 O ARG A 374 -1.065 8.520 -2.604 1.00 0.00 O ATOM 113 CB ARG A 374 -0.904 9.726 0.338 1.00 0.00 C ATOM 114 CG ARG A 374 -0.448 8.683 1.346 1.00 0.00 C ATOM 115 CD ARG A 374 0.832 9.110 2.048 1.00 0.00 C ATOM 116 NE ARG A 374 1.397 8.034 2.857 1.00 0.00 N ATOM 117 CZ ARG A 374 0.959 7.719 4.071 1.00 0.00 C ATOM 118 NH1 ARG A 374 -0.045 8.395 4.612 1.00 0.00 N ATOM 119 NH2 ARG A 374 1.524 6.726 4.745 1.00 0.00 N ATOM 0 H ARG A 374 -1.194 11.010 -2.143 1.00 0.00 H new ATOM 0 HA ARG A 374 1.040 9.882 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 374 -0.946 10.699 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 374 -1.917 9.488 0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 374 -1.233 8.521 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 374 -0.287 7.732 0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 374 1.564 9.428 1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 374 0.627 9.972 2.683 1.00 0.00 H new ATOM 0 HE ARG A 374 2.171 7.494 2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 374 -0.483 9.158 4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 374 -0.380 8.152 5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 374 2.296 6.203 4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 374 1.187 6.485 5.677 1.00 0.00 H new ATOM 133 N LYS A 375 0.702 7.602 -1.557 1.00 0.00 N ATOM 134 CA LYS A 375 0.650 6.362 -2.322 1.00 0.00 C ATOM 135 C LYS A 375 0.186 5.201 -1.448 1.00 0.00 C ATOM 136 O LYS A 375 0.799 4.901 -0.423 1.00 0.00 O ATOM 137 CB LYS A 375 2.025 6.048 -2.917 1.00 0.00 C ATOM 138 CG LYS A 375 2.249 6.661 -4.288 1.00 0.00 C ATOM 139 CD LYS A 375 2.496 8.158 -4.196 1.00 0.00 C ATOM 140 CE LYS A 375 2.997 8.722 -5.516 1.00 0.00 C ATOM 141 NZ LYS A 375 4.418 8.356 -5.773 1.00 0.00 N ATOM 0 H LYS A 375 1.452 7.640 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 375 -0.069 6.494 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 375 2.797 6.408 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 375 2.142 4.967 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 375 3.101 6.180 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 375 1.380 6.473 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 375 1.573 8.663 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 375 3.226 8.360 -3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 375 2.374 8.351 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 375 2.897 9.807 -5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 4.768 8.881 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 4.994 8.596 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 4.486 7.335 -5.958 1.00 0.00 H new ATOM 155 N ILE A 376 -0.898 4.553 -1.859 1.00 0.00 N ATOM 156 CA ILE A 376 -1.442 3.424 -1.114 1.00 0.00 C ATOM 157 C ILE A 376 -1.994 2.359 -2.055 1.00 0.00 C ATOM 158 O ILE A 376 -2.839 2.644 -2.905 1.00 0.00 O ATOM 159 CB ILE A 376 -2.557 3.871 -0.150 1.00 0.00 C ATOM 160 CG1 ILE A 376 -2.019 4.901 0.845 1.00 0.00 C ATOM 161 CG2 ILE A 376 -3.135 2.670 0.583 1.00 0.00 C ATOM 162 CD1 ILE A 376 -3.099 5.564 1.671 1.00 0.00 C ATOM 0 H ILE A 376 -1.417 4.790 -2.704 1.00 0.00 H new ATOM 0 HA ILE A 376 -0.620 3.002 -0.535 1.00 0.00 H new ATOM 0 HB ILE A 376 -3.354 4.337 -0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 376 -1.310 4.413 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 376 -1.468 5.667 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 376 -3.922 3.001 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 376 -3.551 1.968 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 376 -2.347 2.179 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 376 -2.645 6.282 2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 376 -3.796 6.081 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 376 -3.635 4.807 2.243 1.00 0.00 H new ATOM 174 N CYS A 377 -1.513 1.131 -1.896 1.00 0.00 N ATOM 175 CA CYS A 377 -1.959 0.021 -2.730 1.00 0.00 C ATOM 176 C CYS A 377 -3.481 -0.003 -2.835 1.00 0.00 C ATOM 177 O CYS A 377 -4.195 -0.156 -1.843 1.00 0.00 O ATOM 178 CB CYS A 377 -1.455 -1.307 -2.161 1.00 0.00 C ATOM 179 SG CYS A 377 -1.467 -2.681 -3.357 1.00 0.00 S ATOM 0 H CYS A 377 -0.814 0.879 -1.197 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.545 0.161 -3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -0.439 -1.169 -1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -2.071 -1.580 -1.304 1.00 0.00 H new ATOM 184 N PRO A 378 -3.992 0.152 -4.066 1.00 0.00 N ATOM 185 CA PRO A 378 -5.434 0.150 -4.331 1.00 0.00 C ATOM 186 C PRO A 378 -6.057 -1.228 -4.138 1.00 0.00 C ATOM 187 O PRO A 378 -7.252 -1.417 -4.371 1.00 0.00 O ATOM 188 CB PRO A 378 -5.526 0.579 -5.797 1.00 0.00 C ATOM 189 CG PRO A 378 -4.218 0.182 -6.390 1.00 0.00 C ATOM 190 CD PRO A 378 -3.201 0.339 -5.294 1.00 0.00 C ATOM 0 HA PRO A 378 -5.975 0.804 -3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -6.356 0.086 -6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -5.691 1.653 -5.886 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -4.249 -0.847 -6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -3.970 0.811 -7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -2.405 -0.401 -5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -2.728 1.321 -5.322 1.00 0.00 H new ATOM 198 N ARG A 379 -5.242 -2.187 -3.713 1.00 0.00 N ATOM 199 CA ARG A 379 -5.714 -3.548 -3.490 1.00 0.00 C ATOM 200 C ARG A 379 -5.799 -3.857 -1.998 1.00 0.00 C ATOM 201 O ARG A 379 -6.888 -4.014 -1.447 1.00 0.00 O ATOM 202 CB ARG A 379 -4.786 -4.552 -4.178 1.00 0.00 C ATOM 203 CG ARG A 379 -5.150 -6.002 -3.907 1.00 0.00 C ATOM 204 CD ARG A 379 -6.234 -6.491 -4.855 1.00 0.00 C ATOM 205 NE ARG A 379 -7.500 -5.795 -4.644 1.00 0.00 N ATOM 206 CZ ARG A 379 -8.461 -5.724 -5.558 1.00 0.00 C ATOM 207 NH1 ARG A 379 -8.301 -6.305 -6.739 1.00 0.00 N ATOM 208 NH2 ARG A 379 -9.586 -5.072 -5.291 1.00 0.00 N ATOM 0 H ARG A 379 -4.251 -2.047 -3.516 1.00 0.00 H new ATOM 0 HA ARG A 379 -6.713 -3.634 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -4.807 -4.376 -5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -3.763 -4.375 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -4.263 -6.627 -4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -5.492 -6.106 -2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -5.908 -6.346 -5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -6.381 -7.562 -4.716 1.00 0.00 H new ATOM 0 HE ARG A 379 -7.655 -5.338 -3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -7.438 -6.808 -6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -9.041 -6.249 -7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -9.713 -4.625 -4.383 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -10.323 -5.018 -5.994 1.00 0.00 H new ATOM 222 N CYS A 380 -4.642 -3.945 -1.351 1.00 0.00 N ATOM 223 CA CYS A 380 -4.583 -4.236 0.076 1.00 0.00 C ATOM 224 C CYS A 380 -4.700 -2.955 0.898 1.00 0.00 C ATOM 225 O CYS A 380 -5.234 -2.963 2.006 1.00 0.00 O ATOM 226 CB CYS A 380 -3.278 -4.958 0.418 1.00 0.00 C ATOM 227 SG CYS A 380 -1.778 -3.986 0.066 1.00 0.00 S ATOM 0 H CYS A 380 -3.732 -3.819 -1.793 1.00 0.00 H new ATOM 0 HA CYS A 380 -5.424 -4.884 0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 380 -3.287 -5.222 1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 380 -3.234 -5.891 -0.143 1.00 0.00 H new ATOM 232 N ASN A 381 -4.195 -1.857 0.346 1.00 0.00 N ATOM 233 CA ASN A 381 -4.241 -0.568 1.027 1.00 0.00 C ATOM 234 C ASN A 381 -3.270 -0.539 2.204 1.00 0.00 C ATOM 235 O ASN A 381 -3.635 -0.152 3.313 1.00 0.00 O ATOM 236 CB ASN A 381 -5.662 -0.278 1.517 1.00 0.00 C ATOM 237 CG ASN A 381 -6.710 -0.583 0.464 1.00 0.00 C ATOM 238 OD1 ASN A 381 -6.958 0.224 -0.433 1.00 0.00 O ATOM 239 ND2 ASN A 381 -7.331 -1.752 0.569 1.00 0.00 N ATOM 0 H ASN A 381 -3.749 -1.834 -0.571 1.00 0.00 H new ATOM 0 HA ASN A 381 -3.944 0.202 0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 381 -5.864 -0.871 2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 381 -5.737 0.770 1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 381 -8.046 -2.012 -0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 381 -7.093 -2.389 1.329 1.00 0.00 H new ATOM 246 N ALA A 382 -2.032 -0.952 1.952 1.00 0.00 N ATOM 247 CA ALA A 382 -1.008 -0.971 2.988 1.00 0.00 C ATOM 248 C ALA A 382 -0.369 0.404 3.154 1.00 0.00 C ATOM 249 O ALA A 382 -0.727 1.353 2.457 1.00 0.00 O ATOM 250 CB ALA A 382 0.053 -2.012 2.663 1.00 0.00 C ATOM 0 H ALA A 382 -1.715 -1.278 1.039 1.00 0.00 H new ATOM 0 HA ALA A 382 -1.486 -1.237 3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 382 0.812 -2.015 3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 382 -0.410 -2.997 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 382 0.519 -1.771 1.707 1.00 0.00 H new ATOM 256 N GLN A 383 0.578 0.503 4.081 1.00 0.00 N ATOM 257 CA GLN A 383 1.266 1.764 4.339 1.00 0.00 C ATOM 258 C GLN A 383 2.748 1.655 3.995 1.00 0.00 C ATOM 259 O GLN A 383 3.443 0.759 4.474 1.00 0.00 O ATOM 260 CB GLN A 383 1.098 2.170 5.804 1.00 0.00 C ATOM 261 CG GLN A 383 -0.265 2.765 6.118 1.00 0.00 C ATOM 262 CD GLN A 383 -0.277 3.542 7.420 1.00 0.00 C ATOM 263 OE1 GLN A 383 -0.284 2.958 8.504 1.00 0.00 O ATOM 264 NE2 GLN A 383 -0.280 4.866 7.320 1.00 0.00 N ATOM 0 H GLN A 383 0.887 -0.274 4.666 1.00 0.00 H new ATOM 0 HA GLN A 383 0.820 2.530 3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 383 1.258 1.296 6.435 1.00 0.00 H new ATOM 0 HB3 GLN A 383 1.870 2.895 6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 383 -0.566 3.424 5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 383 -1.003 1.965 6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -0.274 5.308 6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -0.288 5.441 8.162 1.00 0.00 H new ATOM 273 N PHE A 384 3.225 2.574 3.162 1.00 0.00 N ATOM 274 CA PHE A 384 4.625 2.581 2.752 1.00 0.00 C ATOM 275 C PHE A 384 5.185 4.000 2.754 1.00 0.00 C ATOM 276 O PHE A 384 4.436 4.974 2.678 1.00 0.00 O ATOM 277 CB PHE A 384 4.774 1.963 1.361 1.00 0.00 C ATOM 278 CG PHE A 384 4.404 0.508 1.308 1.00 0.00 C ATOM 279 CD1 PHE A 384 5.269 -0.459 1.793 1.00 0.00 C ATOM 280 CD2 PHE A 384 3.191 0.108 0.771 1.00 0.00 C ATOM 281 CE1 PHE A 384 4.931 -1.798 1.746 1.00 0.00 C ATOM 282 CE2 PHE A 384 2.847 -1.230 0.722 1.00 0.00 C ATOM 283 CZ PHE A 384 3.719 -2.184 1.209 1.00 0.00 C ATOM 0 H PHE A 384 2.663 3.323 2.758 1.00 0.00 H new ATOM 0 HA PHE A 384 5.191 1.985 3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 384 4.149 2.514 0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 384 5.806 2.080 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 384 6.219 -0.163 2.213 1.00 0.00 H new ATOM 0 HD2 PHE A 384 2.507 0.850 0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 384 5.614 -2.542 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 384 1.897 -1.529 0.303 1.00 0.00 H new ATOM 0 HZ PHE A 384 3.453 -3.230 1.170 1.00 0.00 H new ATOM 293 N ARG A 385 6.506 4.108 2.842 1.00 0.00 N ATOM 294 CA ARG A 385 7.167 5.408 2.855 1.00 0.00 C ATOM 295 C ARG A 385 7.694 5.764 1.468 1.00 0.00 C ATOM 296 O ARG A 385 7.275 6.754 0.869 1.00 0.00 O ATOM 297 CB ARG A 385 8.317 5.409 3.865 1.00 0.00 C ATOM 298 CG ARG A 385 8.739 6.801 4.306 1.00 0.00 C ATOM 299 CD ARG A 385 9.751 6.743 5.439 1.00 0.00 C ATOM 300 NE ARG A 385 10.207 8.073 5.834 1.00 0.00 N ATOM 301 CZ ARG A 385 9.437 8.961 6.452 1.00 0.00 C ATOM 302 NH1 ARG A 385 8.179 8.661 6.745 1.00 0.00 N ATOM 303 NH2 ARG A 385 9.924 10.151 6.779 1.00 0.00 N ATOM 0 H ARG A 385 7.140 3.312 2.905 1.00 0.00 H new ATOM 0 HA ARG A 385 6.433 6.158 3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 385 8.020 4.834 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 385 9.175 4.900 3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 385 9.169 7.337 3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 385 7.862 7.363 4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 385 9.305 6.243 6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 385 10.607 6.143 5.130 1.00 0.00 H new ATOM 0 HE ARG A 385 11.170 8.334 5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 385 7.801 7.747 6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 385 7.589 9.344 7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 385 10.891 10.385 6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 385 9.331 10.832 7.254 1.00 0.00 H new ATOM 317 N VAL A 386 8.616 4.950 0.964 1.00 0.00 N ATOM 318 CA VAL A 386 9.200 5.179 -0.352 1.00 0.00 C ATOM 319 C VAL A 386 8.419 4.443 -1.436 1.00 0.00 C ATOM 320 O VAL A 386 7.503 3.673 -1.143 1.00 0.00 O ATOM 321 CB VAL A 386 10.672 4.727 -0.400 1.00 0.00 C ATOM 322 CG1 VAL A 386 11.509 5.530 0.585 1.00 0.00 C ATOM 323 CG2 VAL A 386 10.781 3.237 -0.113 1.00 0.00 C ATOM 0 H VAL A 386 8.974 4.126 1.447 1.00 0.00 H new ATOM 0 HA VAL A 386 9.151 6.252 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 386 11.058 4.910 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 386 12.546 5.197 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 386 11.456 6.588 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 386 11.126 5.380 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 386 11.828 2.935 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 386 10.378 3.027 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 386 10.215 2.680 -0.860 1.00 0.00 H new ATOM 333 N THR A 387 8.788 4.683 -2.690 1.00 0.00 N ATOM 334 CA THR A 387 8.122 4.045 -3.818 1.00 0.00 C ATOM 335 C THR A 387 8.602 2.609 -3.999 1.00 0.00 C ATOM 336 O THR A 387 7.796 1.689 -4.136 1.00 0.00 O ATOM 337 CB THR A 387 8.361 4.822 -5.126 1.00 0.00 C ATOM 338 OG1 THR A 387 7.928 6.179 -4.975 1.00 0.00 O ATOM 339 CG2 THR A 387 7.619 4.174 -6.285 1.00 0.00 C ATOM 0 H THR A 387 9.545 5.315 -2.950 1.00 0.00 H new ATOM 0 HA THR A 387 7.055 4.044 -3.595 1.00 0.00 H new ATOM 0 HB THR A 387 9.429 4.803 -5.344 1.00 0.00 H new ATOM 0 HG1 THR A 387 8.085 6.667 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 387 7.803 4.741 -7.198 1.00 0.00 H new ATOM 0 HG22 THR A 387 7.971 3.151 -6.416 1.00 0.00 H new ATOM 0 HG23 THR A 387 6.550 4.165 -6.073 1.00 0.00 H new ATOM 347 N GLU A 388 9.918 2.426 -3.998 1.00 0.00 N ATOM 348 CA GLU A 388 10.504 1.101 -4.162 1.00 0.00 C ATOM 349 C GLU A 388 9.681 0.046 -3.428 1.00 0.00 C ATOM 350 O GLU A 388 9.274 -0.957 -4.013 1.00 0.00 O ATOM 351 CB GLU A 388 11.945 1.088 -3.646 1.00 0.00 C ATOM 352 CG GLU A 388 12.963 1.553 -4.673 1.00 0.00 C ATOM 353 CD GLU A 388 12.722 2.979 -5.129 1.00 0.00 C ATOM 354 OE1 GLU A 388 11.719 3.214 -5.835 1.00 0.00 O ATOM 355 OE2 GLU A 388 13.536 3.860 -4.781 1.00 0.00 O ATOM 0 H GLU A 388 10.598 3.178 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 388 10.504 0.862 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 388 12.012 1.726 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 388 12.199 0.077 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 388 13.964 1.476 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 388 12.931 0.889 -5.537 1.00 0.00 H new ATOM 362 N ALA A 389 9.439 0.282 -2.142 1.00 0.00 N ATOM 363 CA ALA A 389 8.664 -0.645 -1.328 1.00 0.00 C ATOM 364 C ALA A 389 7.378 -1.056 -2.038 1.00 0.00 C ATOM 365 O ALA A 389 7.021 -2.234 -2.066 1.00 0.00 O ATOM 366 CB ALA A 389 8.347 -0.023 0.024 1.00 0.00 C ATOM 0 H ALA A 389 9.769 1.108 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 389 9.264 -1.541 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 389 7.768 -0.727 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 389 9.276 0.214 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 389 7.770 0.890 -0.122 1.00 0.00 H new ATOM 372 N LEU A 390 6.685 -0.077 -2.610 1.00 0.00 N ATOM 373 CA LEU A 390 5.437 -0.337 -3.320 1.00 0.00 C ATOM 374 C LEU A 390 5.690 -1.149 -4.586 1.00 0.00 C ATOM 375 O LEU A 390 4.933 -2.064 -4.910 1.00 0.00 O ATOM 376 CB LEU A 390 4.746 0.981 -3.675 1.00 0.00 C ATOM 377 CG LEU A 390 3.966 1.655 -2.546 1.00 0.00 C ATOM 378 CD1 LEU A 390 3.594 3.079 -2.930 1.00 0.00 C ATOM 379 CD2 LEU A 390 2.720 0.850 -2.204 1.00 0.00 C ATOM 0 H LEU A 390 6.966 0.903 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 390 4.787 -0.916 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 390 5.502 1.679 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 390 4.062 0.798 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 390 4.603 1.694 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 390 3.039 3.543 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 390 4.501 3.652 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 390 2.975 3.064 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 390 2.177 1.344 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 390 2.080 0.779 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 390 3.010 -0.151 -1.885 1.00 0.00 H new ATOM 391 N ARG A 391 6.761 -0.810 -5.296 1.00 0.00 N ATOM 392 CA ARG A 391 7.114 -1.508 -6.526 1.00 0.00 C ATOM 393 C ARG A 391 7.129 -3.018 -6.309 1.00 0.00 C ATOM 394 O ARG A 391 6.388 -3.756 -6.958 1.00 0.00 O ATOM 395 CB ARG A 391 8.482 -1.041 -7.028 1.00 0.00 C ATOM 396 CG ARG A 391 8.895 -1.674 -8.347 1.00 0.00 C ATOM 397 CD ARG A 391 10.091 -0.959 -8.957 1.00 0.00 C ATOM 398 NE ARG A 391 9.767 0.408 -9.355 1.00 0.00 N ATOM 399 CZ ARG A 391 10.668 1.379 -9.450 1.00 0.00 C ATOM 400 NH1 ARG A 391 11.942 1.135 -9.177 1.00 0.00 N ATOM 401 NH2 ARG A 391 10.295 2.598 -9.819 1.00 0.00 N ATOM 0 H ARG A 391 7.399 -0.056 -5.041 1.00 0.00 H new ATOM 0 HA ARG A 391 6.359 -1.273 -7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 391 8.467 0.043 -7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 391 9.234 -1.270 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 391 9.140 -2.724 -8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 391 8.058 -1.645 -9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 391 10.909 -0.943 -8.237 1.00 0.00 H new ATOM 0 HD3 ARG A 391 10.442 -1.516 -9.826 1.00 0.00 H new ATOM 0 HE ARG A 391 8.795 0.629 -9.572 1.00 0.00 H new ATOM 0 HH11 ARG A 391 12.233 0.199 -8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 391 12.632 1.883 -9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 391 9.316 2.790 -10.030 1.00 0.00 H new ATOM 0 HH22 ARG A 391 10.988 3.343 -9.892 1.00 0.00 H new ATOM 415 N GLY A 392 7.978 -3.471 -5.392 1.00 0.00 N ATOM 416 CA GLY A 392 8.074 -4.891 -5.106 1.00 0.00 C ATOM 417 C GLY A 392 6.810 -5.441 -4.474 1.00 0.00 C ATOM 418 O GLY A 392 6.183 -6.352 -5.016 1.00 0.00 O ATOM 0 H GLY A 392 8.601 -2.880 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 392 8.280 -5.432 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 392 8.917 -5.068 -4.438 1.00 0.00 H new ATOM 422 N HIS A 393 6.436 -4.889 -3.325 1.00 0.00 N ATOM 423 CA HIS A 393 5.239 -5.332 -2.618 1.00 0.00 C ATOM 424 C HIS A 393 4.068 -5.497 -3.582 1.00 0.00 C ATOM 425 O HIS A 393 3.425 -6.545 -3.619 1.00 0.00 O ATOM 426 CB HIS A 393 4.872 -4.334 -1.518 1.00 0.00 C ATOM 427 CG HIS A 393 3.421 -4.356 -1.150 1.00 0.00 C ATOM 428 ND1 HIS A 393 2.903 -5.189 -0.180 1.00 0.00 N ATOM 429 CD2 HIS A 393 2.376 -3.640 -1.626 1.00 0.00 C ATOM 430 CE1 HIS A 393 1.602 -4.985 -0.077 1.00 0.00 C ATOM 431 NE2 HIS A 393 1.257 -4.049 -0.943 1.00 0.00 N ATOM 0 H HIS A 393 6.944 -4.134 -2.863 1.00 0.00 H new ATOM 0 HA HIS A 393 5.452 -6.300 -2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 393 5.467 -4.549 -0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 393 5.140 -3.330 -1.846 1.00 0.00 H new ATOM 0 HD2 HIS A 393 2.415 -2.887 -2.399 1.00 0.00 H new ATOM 0 HE1 HIS A 393 0.934 -5.496 0.600 1.00 0.00 H new ATOM 0 HE2 HIS A 393 0.313 -3.689 -1.082 1.00 0.00 H new ATOM 439 N MET A 394 3.798 -4.454 -4.361 1.00 0.00 N ATOM 440 CA MET A 394 2.705 -4.484 -5.326 1.00 0.00 C ATOM 441 C MET A 394 2.908 -5.603 -6.342 1.00 0.00 C ATOM 442 O MET A 394 1.956 -6.282 -6.730 1.00 0.00 O ATOM 443 CB MET A 394 2.594 -3.139 -6.046 1.00 0.00 C ATOM 444 CG MET A 394 2.171 -1.996 -5.137 1.00 0.00 C ATOM 445 SD MET A 394 2.212 -0.397 -5.968 1.00 0.00 S ATOM 446 CE MET A 394 0.987 -0.649 -7.250 1.00 0.00 C ATOM 0 H MET A 394 4.321 -3.578 -4.343 1.00 0.00 H new ATOM 0 HA MET A 394 1.779 -4.674 -4.783 1.00 0.00 H new ATOM 0 HB2 MET A 394 3.557 -2.897 -6.497 1.00 0.00 H new ATOM 0 HB3 MET A 394 1.875 -3.230 -6.860 1.00 0.00 H new ATOM 0 HG2 MET A 394 1.163 -2.184 -4.769 1.00 0.00 H new ATOM 0 HG3 MET A 394 2.828 -1.966 -4.267 1.00 0.00 H new ATOM 0 HE1 MET A 394 0.333 0.221 -7.305 1.00 0.00 H new ATOM 0 HE2 MET A 394 1.487 -0.788 -8.209 1.00 0.00 H new ATOM 0 HE3 MET A 394 0.394 -1.534 -7.018 1.00 0.00 H new ATOM 456 N CYS A 395 4.152 -5.790 -6.770 1.00 0.00 N ATOM 457 CA CYS A 395 4.479 -6.826 -7.742 1.00 0.00 C ATOM 458 C CYS A 395 3.900 -8.172 -7.318 1.00 0.00 C ATOM 459 O CYS A 395 3.085 -8.761 -8.029 1.00 0.00 O ATOM 460 CB CYS A 395 5.995 -6.938 -7.909 1.00 0.00 C ATOM 461 SG CYS A 395 6.514 -7.659 -9.484 1.00 0.00 S ATOM 0 H CYS A 395 4.951 -5.237 -6.459 1.00 0.00 H new ATOM 0 HA CYS A 395 4.036 -6.546 -8.698 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.434 -5.945 -7.814 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.396 -7.543 -7.095 1.00 0.00 H new ATOM 0 HG CYS A 395 7.812 -7.709 -9.531 1.00 0.00 H new ATOM 467 N TYR A 396 4.328 -8.654 -6.157 1.00 0.00 N ATOM 468 CA TYR A 396 3.856 -9.933 -5.639 1.00 0.00 C ATOM 469 C TYR A 396 2.413 -9.826 -5.157 1.00 0.00 C ATOM 470 O TYR A 396 1.613 -10.744 -5.343 1.00 0.00 O ATOM 471 CB TYR A 396 4.754 -10.407 -4.496 1.00 0.00 C ATOM 472 CG TYR A 396 6.227 -10.391 -4.836 1.00 0.00 C ATOM 473 CD1 TYR A 396 6.709 -11.062 -5.953 1.00 0.00 C ATOM 474 CD2 TYR A 396 7.137 -9.706 -4.040 1.00 0.00 C ATOM 475 CE1 TYR A 396 8.055 -11.051 -6.267 1.00 0.00 C ATOM 476 CE2 TYR A 396 8.483 -9.688 -4.347 1.00 0.00 C ATOM 477 CZ TYR A 396 8.937 -10.362 -5.462 1.00 0.00 C ATOM 478 OH TYR A 396 10.278 -10.348 -5.771 1.00 0.00 O ATOM 0 H TYR A 396 5.001 -8.178 -5.556 1.00 0.00 H new ATOM 0 HA TYR A 396 3.896 -10.661 -6.449 1.00 0.00 H new ATOM 0 HB2 TYR A 396 4.584 -9.774 -3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 396 4.466 -11.420 -4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 396 6.020 -11.601 -6.587 1.00 0.00 H new ATOM 0 HD2 TYR A 396 6.785 -9.178 -3.166 1.00 0.00 H new ATOM 0 HE1 TYR A 396 8.414 -11.579 -7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.176 -9.149 -3.718 1.00 0.00 H new ATOM 0 HH TYR A 396 10.762 -9.817 -5.104 1.00 0.00 H new ATOM 488 N CYS A 397 2.085 -8.698 -4.536 1.00 0.00 N ATOM 489 CA CYS A 397 0.739 -8.467 -4.026 1.00 0.00 C ATOM 490 C CYS A 397 -0.289 -8.538 -5.152 1.00 0.00 C ATOM 491 O CYS A 397 -1.104 -9.459 -5.206 1.00 0.00 O ATOM 492 CB CYS A 397 0.660 -7.106 -3.333 1.00 0.00 C ATOM 493 SG CYS A 397 -1.021 -6.635 -2.809 1.00 0.00 S ATOM 0 H CYS A 397 2.734 -7.928 -4.374 1.00 0.00 H new ATOM 0 HA CYS A 397 0.513 -9.249 -3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 397 1.312 -7.117 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 397 1.046 -6.343 -4.009 1.00 0.00 H new ATOM 498 N CYS A 398 -0.242 -7.559 -6.050 1.00 0.00 N ATOM 499 CA CYS A 398 -1.169 -7.509 -7.175 1.00 0.00 C ATOM 500 C CYS A 398 -0.415 -7.395 -8.496 1.00 0.00 C ATOM 501 O CYS A 398 -0.319 -6.323 -9.093 1.00 0.00 O ATOM 502 CB CYS A 398 -2.130 -6.329 -7.018 1.00 0.00 C ATOM 503 SG CYS A 398 -3.600 -6.430 -8.067 1.00 0.00 S ATOM 0 H CYS A 398 0.428 -6.790 -6.021 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.742 -8.436 -7.184 1.00 0.00 H new ATOM 0 HB2 CYS A 398 -2.444 -6.266 -5.976 1.00 0.00 H new ATOM 0 HB3 CYS A 398 -1.596 -5.407 -7.247 1.00 0.00 H new ATOM 0 HG CYS A 398 -4.352 -5.389 -7.862 1.00 0.00 H new ATOM 509 N PRO A 399 0.135 -8.525 -8.963 1.00 0.00 N ATOM 510 CA PRO A 399 0.891 -8.578 -10.218 1.00 0.00 C ATOM 511 C PRO A 399 -0.001 -8.390 -11.440 1.00 0.00 C ATOM 512 O PRO A 399 0.479 -8.383 -12.573 1.00 0.00 O ATOM 513 CB PRO A 399 1.497 -9.984 -10.208 1.00 0.00 C ATOM 514 CG PRO A 399 0.580 -10.785 -9.350 1.00 0.00 C ATOM 515 CD PRO A 399 0.060 -9.840 -8.303 1.00 0.00 C ATOM 0 HA PRO A 399 1.632 -7.781 -10.282 1.00 0.00 H new ATOM 0 HB2 PRO A 399 1.558 -10.396 -11.215 1.00 0.00 H new ATOM 0 HB3 PRO A 399 2.510 -9.976 -9.805 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -0.237 -11.204 -9.937 1.00 0.00 H new ATOM 0 HG3 PRO A 399 1.106 -11.623 -8.893 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -0.961 -10.086 -8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 399 0.666 -9.870 -7.398 1.00 0.00 H new ATOM 523 N GLU A 400 -1.300 -8.239 -11.202 1.00 0.00 N ATOM 524 CA GLU A 400 -2.257 -8.051 -12.286 1.00 0.00 C ATOM 525 C GLU A 400 -2.158 -6.642 -12.862 1.00 0.00 C ATOM 526 O GLU A 400 -1.922 -6.464 -14.057 1.00 0.00 O ATOM 527 CB GLU A 400 -3.681 -8.311 -11.788 1.00 0.00 C ATOM 528 CG GLU A 400 -4.657 -8.666 -12.897 1.00 0.00 C ATOM 529 CD GLU A 400 -6.097 -8.368 -12.524 1.00 0.00 C ATOM 530 OE1 GLU A 400 -6.412 -8.385 -11.316 1.00 0.00 O ATOM 531 OE2 GLU A 400 -6.907 -8.117 -13.440 1.00 0.00 O ATOM 0 H GLU A 400 -1.713 -8.243 -10.270 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.018 -8.764 -13.075 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.660 -9.122 -11.060 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.043 -7.424 -11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.396 -8.110 -13.797 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.559 -9.725 -13.137 1.00 0.00 H new ATOM 538 N MET A 401 -2.339 -5.643 -12.004 1.00 0.00 N ATOM 539 CA MET A 401 -2.269 -4.250 -12.428 1.00 0.00 C ATOM 540 C MET A 401 -0.821 -3.816 -12.633 1.00 0.00 C ATOM 541 O MET A 401 -0.479 -3.226 -13.658 1.00 0.00 O ATOM 542 CB MET A 401 -2.943 -3.346 -11.394 1.00 0.00 C ATOM 543 CG MET A 401 -2.970 -1.880 -11.795 1.00 0.00 C ATOM 544 SD MET A 401 -4.078 -0.899 -10.764 1.00 0.00 S ATOM 545 CE MET A 401 -5.592 -0.986 -11.716 1.00 0.00 C ATOM 0 H MET A 401 -2.535 -5.773 -11.011 1.00 0.00 H new ATOM 0 HA MET A 401 -2.795 -4.158 -13.378 1.00 0.00 H new ATOM 0 HB2 MET A 401 -3.965 -3.690 -11.234 1.00 0.00 H new ATOM 0 HB3 MET A 401 -2.421 -3.444 -10.442 1.00 0.00 H new ATOM 0 HG2 MET A 401 -1.962 -1.471 -11.730 1.00 0.00 H new ATOM 0 HG3 MET A 401 -3.281 -1.798 -12.836 1.00 0.00 H new ATOM 0 HE1 MET A 401 -6.375 -0.425 -11.206 1.00 0.00 H new ATOM 0 HE2 MET A 401 -5.425 -0.559 -12.705 1.00 0.00 H new ATOM 0 HE3 MET A 401 -5.899 -2.027 -11.817 1.00 0.00 H new ATOM 555 N VAL A 402 0.026 -4.112 -11.652 1.00 0.00 N ATOM 556 CA VAL A 402 1.437 -3.754 -11.725 1.00 0.00 C ATOM 557 C VAL A 402 2.044 -4.183 -13.056 1.00 0.00 C ATOM 558 O VAL A 402 1.956 -5.348 -13.442 1.00 0.00 O ATOM 559 CB VAL A 402 2.239 -4.394 -10.577 1.00 0.00 C ATOM 560 CG1 VAL A 402 3.715 -4.045 -10.697 1.00 0.00 C ATOM 561 CG2 VAL A 402 1.686 -3.952 -9.231 1.00 0.00 C ATOM 0 H VAL A 402 -0.241 -4.599 -10.797 1.00 0.00 H new ATOM 0 HA VAL A 402 1.493 -2.669 -11.636 1.00 0.00 H new ATOM 0 HB VAL A 402 2.140 -5.477 -10.647 1.00 0.00 H new ATOM 0 HG11 VAL A 402 4.266 -4.506 -9.877 1.00 0.00 H new ATOM 0 HG12 VAL A 402 4.100 -4.416 -11.647 1.00 0.00 H new ATOM 0 HG13 VAL A 402 3.838 -2.963 -10.653 1.00 0.00 H new ATOM 0 HG21 VAL A 402 2.264 -4.414 -8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 402 1.754 -2.867 -9.148 1.00 0.00 H new ATOM 0 HG23 VAL A 402 0.643 -4.258 -9.148 1.00 0.00 H new ATOM 571 N GLU A 403 2.661 -3.233 -13.753 1.00 0.00 N ATOM 572 CA GLU A 403 3.283 -3.514 -15.041 1.00 0.00 C ATOM 573 C GLU A 403 4.722 -3.008 -15.073 1.00 0.00 C ATOM 574 O GLU A 403 5.106 -2.145 -14.282 1.00 0.00 O ATOM 575 CB GLU A 403 2.479 -2.869 -16.172 1.00 0.00 C ATOM 576 CG GLU A 403 1.301 -3.708 -16.637 1.00 0.00 C ATOM 577 CD GLU A 403 0.663 -3.168 -17.902 1.00 0.00 C ATOM 578 OE1 GLU A 403 0.812 -1.959 -18.173 1.00 0.00 O ATOM 579 OE2 GLU A 403 0.014 -3.957 -18.621 1.00 0.00 O ATOM 0 H GLU A 403 2.743 -2.263 -13.447 1.00 0.00 H new ATOM 0 HA GLU A 403 3.293 -4.595 -15.182 1.00 0.00 H new ATOM 0 HB2 GLU A 403 2.113 -1.898 -15.838 1.00 0.00 H new ATOM 0 HB3 GLU A 403 3.141 -2.687 -17.019 1.00 0.00 H new ATOM 0 HG2 GLU A 403 1.635 -4.731 -16.811 1.00 0.00 H new ATOM 0 HG3 GLU A 403 0.553 -3.747 -15.845 1.00 0.00 H new ATOM 586 N TYR A 404 5.514 -3.551 -15.990 1.00 0.00 N ATOM 587 CA TYR A 404 6.912 -3.157 -16.123 1.00 0.00 C ATOM 588 C TYR A 404 7.049 -1.924 -17.012 1.00 0.00 C ATOM 589 O TYR A 404 7.406 -0.844 -16.542 1.00 0.00 O ATOM 590 CB TYR A 404 7.736 -4.309 -16.701 1.00 0.00 C ATOM 591 CG TYR A 404 9.106 -3.891 -17.185 1.00 0.00 C ATOM 592 CD1 TYR A 404 10.129 -3.619 -16.286 1.00 0.00 C ATOM 593 CD2 TYR A 404 9.376 -3.769 -18.543 1.00 0.00 C ATOM 594 CE1 TYR A 404 11.382 -3.236 -16.725 1.00 0.00 C ATOM 595 CE2 TYR A 404 10.626 -3.387 -18.990 1.00 0.00 C ATOM 596 CZ TYR A 404 11.626 -3.122 -18.078 1.00 0.00 C ATOM 597 OH TYR A 404 12.873 -2.742 -18.518 1.00 0.00 O ATOM 0 H TYR A 404 5.212 -4.265 -16.653 1.00 0.00 H new ATOM 0 HA TYR A 404 7.289 -2.911 -15.130 1.00 0.00 H new ATOM 0 HB2 TYR A 404 7.849 -5.081 -15.940 1.00 0.00 H new ATOM 0 HB3 TYR A 404 7.188 -4.756 -17.530 1.00 0.00 H new ATOM 0 HD1 TYR A 404 9.942 -3.708 -15.226 1.00 0.00 H new ATOM 0 HD2 TYR A 404 8.596 -3.976 -19.260 1.00 0.00 H new ATOM 0 HE1 TYR A 404 12.166 -3.027 -16.013 1.00 0.00 H new ATOM 0 HE2 TYR A 404 10.819 -3.296 -20.049 1.00 0.00 H new ATOM 0 HH TYR A 404 12.879 -2.711 -19.497 1.00 0.00 H new ATOM 607 N GLN A 405 6.761 -2.095 -18.298 1.00 0.00 N ATOM 608 CA GLN A 405 6.851 -0.997 -19.253 1.00 0.00 C ATOM 609 C GLN A 405 6.058 0.212 -18.769 1.00 0.00 C ATOM 610 O GLN A 405 5.134 0.080 -17.966 1.00 0.00 O ATOM 611 CB GLN A 405 6.339 -1.442 -20.624 1.00 0.00 C ATOM 612 CG GLN A 405 4.880 -1.869 -20.619 1.00 0.00 C ATOM 613 CD GLN A 405 4.664 -3.202 -19.930 1.00 0.00 C ATOM 614 OE1 GLN A 405 4.557 -3.272 -18.706 1.00 0.00 O ATOM 615 NE2 GLN A 405 4.600 -4.271 -20.716 1.00 0.00 N ATOM 0 H GLN A 405 6.464 -2.983 -18.702 1.00 0.00 H new ATOM 0 HA GLN A 405 7.899 -0.710 -19.340 1.00 0.00 H new ATOM 0 HB2 GLN A 405 6.467 -0.624 -21.333 1.00 0.00 H new ATOM 0 HB3 GLN A 405 6.951 -2.271 -20.979 1.00 0.00 H new ATOM 0 HG2 GLN A 405 4.284 -1.105 -20.120 1.00 0.00 H new ATOM 0 HG3 GLN A 405 4.521 -1.933 -21.646 1.00 0.00 H new ATOM 0 HE21 GLN A 405 4.694 -4.167 -21.726 1.00 0.00 H new ATOM 0 HE22 GLN A 405 4.457 -5.195 -20.309 1.00 0.00 H new ATOM 624 N SER A 406 6.426 1.391 -19.261 1.00 0.00 N ATOM 625 CA SER A 406 5.751 2.625 -18.875 1.00 0.00 C ATOM 626 C SER A 406 4.264 2.381 -18.641 1.00 0.00 C ATOM 627 O SER A 406 3.693 2.849 -17.657 1.00 0.00 O ATOM 628 CB SER A 406 5.940 3.693 -19.954 1.00 0.00 C ATOM 629 OG SER A 406 7.180 4.363 -19.797 1.00 0.00 O ATOM 0 H SER A 406 7.188 1.518 -19.928 1.00 0.00 H new ATOM 0 HA SER A 406 6.195 2.976 -17.943 1.00 0.00 H new ATOM 0 HB2 SER A 406 5.895 3.230 -20.940 1.00 0.00 H new ATOM 0 HB3 SER A 406 5.124 4.414 -19.903 1.00 0.00 H new ATOM 0 HG SER A 406 7.278 5.039 -20.500 1.00 0.00 H new ATOM 635 N GLY A 407 3.640 1.642 -19.555 1.00 0.00 N ATOM 636 CA GLY A 407 2.225 1.347 -19.431 1.00 0.00 C ATOM 637 C GLY A 407 1.856 0.846 -18.049 1.00 0.00 C ATOM 638 O GLY A 407 2.717 0.597 -17.205 1.00 0.00 O ATOM 0 H GLY A 407 4.090 1.243 -20.379 1.00 0.00 H new ATOM 0 HA2 GLY A 407 1.649 2.245 -19.654 1.00 0.00 H new ATOM 0 HA3 GLY A 407 1.947 0.597 -20.172 1.00 0.00 H new ATOM 642 N PRO A 408 0.547 0.692 -17.801 1.00 0.00 N ATOM 643 CA PRO A 408 -0.488 0.986 -18.797 1.00 0.00 C ATOM 644 C PRO A 408 -0.616 2.479 -19.076 1.00 0.00 C ATOM 645 O PRO A 408 -0.915 3.265 -18.177 1.00 0.00 O ATOM 646 CB PRO A 408 -1.767 0.451 -18.149 1.00 0.00 C ATOM 647 CG PRO A 408 -1.495 0.492 -16.684 1.00 0.00 C ATOM 648 CD PRO A 408 -0.025 0.220 -16.528 1.00 0.00 C ATOM 0 HA PRO A 408 -0.263 0.535 -19.763 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -2.629 1.065 -18.409 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -1.986 -0.563 -18.483 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.759 1.463 -16.265 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -2.088 -0.255 -16.156 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.394 0.755 -15.676 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.173 -0.840 -16.367 1.00 0.00 H new ATOM 656 N SER A 409 -0.389 2.864 -20.328 1.00 0.00 N ATOM 657 CA SER A 409 -0.476 4.265 -20.725 1.00 0.00 C ATOM 658 C SER A 409 -1.931 4.716 -20.808 1.00 0.00 C ATOM 659 O SER A 409 -2.806 3.955 -21.220 1.00 0.00 O ATOM 660 CB SER A 409 0.214 4.479 -22.073 1.00 0.00 C ATOM 661 OG SER A 409 -0.448 3.766 -23.104 1.00 0.00 O ATOM 0 H SER A 409 -0.144 2.226 -21.085 1.00 0.00 H new ATOM 0 HA SER A 409 0.030 4.864 -19.968 1.00 0.00 H new ATOM 0 HB2 SER A 409 0.228 5.542 -22.313 1.00 0.00 H new ATOM 0 HB3 SER A 409 1.252 4.153 -22.010 1.00 0.00 H new ATOM 0 HG SER A 409 0.011 3.921 -23.956 1.00 0.00 H new ATOM 667 N SER A 410 -2.181 5.961 -20.415 1.00 0.00 N ATOM 668 CA SER A 410 -3.530 6.514 -20.441 1.00 0.00 C ATOM 669 C SER A 410 -3.541 7.888 -21.103 1.00 0.00 C ATOM 670 O SER A 410 -2.746 8.762 -20.759 1.00 0.00 O ATOM 671 CB SER A 410 -4.090 6.616 -19.020 1.00 0.00 C ATOM 672 OG SER A 410 -5.507 6.626 -19.030 1.00 0.00 O ATOM 0 H SER A 410 -1.467 6.606 -20.075 1.00 0.00 H new ATOM 0 HA SER A 410 -4.160 5.843 -21.025 1.00 0.00 H new ATOM 0 HB2 SER A 410 -3.733 5.776 -18.424 1.00 0.00 H new ATOM 0 HB3 SER A 410 -3.720 7.524 -18.544 1.00 0.00 H new ATOM 0 HG SER A 410 -5.840 6.690 -18.111 1.00 0.00 H new ATOM 678 N GLY A 411 -4.449 8.071 -22.057 1.00 0.00 N ATOM 679 CA GLY A 411 -4.547 9.340 -22.754 1.00 0.00 C ATOM 680 C GLY A 411 -5.130 10.436 -21.884 1.00 0.00 C ATOM 681 O GLY A 411 -5.869 10.161 -20.939 1.00 0.00 O ATOM 0 H GLY A 411 -5.118 7.363 -22.359 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -3.557 9.640 -23.096 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -5.167 9.216 -23.642 1.00 0.00 H new TER 685 GLY A 411 HETATM 686 ZN ZN A 201 -0.769 -4.479 -1.995 1.00 0.00 ZN