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 -72:sc= 0.361 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 43:sc= 0.395 USER MOD Single : A 370 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= -0.431 K(o=-0.43,f=-1.2) USER MOD Single : A 383 GLN : amide:sc= -0.0247 K(o=-0.025,f=-2.2!) USER MOD Single : A 387 THR OG1 : rot 180:sc= 0 USER MOD Single : A 393 HIS : no HD1:sc= -2.74 K(o=-2.7,f=-4.7!) USER MOD Single : A 394 MET CE :methyl 164:sc= -0.02 (180deg=-0.498) 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 -120:sc= 0.263 USER MOD Single : A 401 MET CE :methyl 162:sc= 0 (180deg=-0.518) USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 GLN : amide:sc= -0.0416 K(o=-0.042,f=-1.5!) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot 24:sc= 0.347 USER MOD Single : A 410 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 3.317 17.310 -18.742 1.00 0.00 N ATOM 2 CA GLY A 363 2.203 18.116 -18.278 1.00 0.00 C ATOM 3 C GLY A 363 1.762 17.745 -16.876 1.00 0.00 C ATOM 4 O GLY A 363 1.536 16.572 -16.579 1.00 0.00 O ATOM 0 HA2 GLY A 363 2.486 19.168 -18.300 1.00 0.00 H new ATOM 0 HA3 GLY A 363 1.363 17.998 -18.963 1.00 0.00 H new ATOM 8 N SER A 364 1.642 18.747 -16.011 1.00 0.00 N ATOM 9 CA SER A 364 1.231 18.519 -14.630 1.00 0.00 C ATOM 10 C SER A 364 -0.290 18.512 -14.511 1.00 0.00 C ATOM 11 O SER A 364 -0.901 19.522 -14.160 1.00 0.00 O ATOM 12 CB SER A 364 1.821 19.595 -13.716 1.00 0.00 C ATOM 13 OG SER A 364 3.221 19.432 -13.574 1.00 0.00 O ATOM 0 H SER A 364 1.823 19.724 -16.242 1.00 0.00 H new ATOM 0 HA SER A 364 1.607 17.544 -14.320 1.00 0.00 H new ATOM 0 HB2 SER A 364 1.606 20.582 -14.126 1.00 0.00 H new ATOM 0 HB3 SER A 364 1.345 19.546 -12.737 1.00 0.00 H new ATOM 0 HG SER A 364 3.574 20.133 -12.987 1.00 0.00 H new ATOM 19 N SER A 365 -0.895 17.366 -14.805 1.00 0.00 N ATOM 20 CA SER A 365 -2.345 17.227 -14.734 1.00 0.00 C ATOM 21 C SER A 365 -2.747 16.294 -13.596 1.00 0.00 C ATOM 22 O SER A 365 -3.011 15.112 -13.811 1.00 0.00 O ATOM 23 CB SER A 365 -2.893 16.696 -16.060 1.00 0.00 C ATOM 24 OG SER A 365 -4.235 16.264 -15.921 1.00 0.00 O ATOM 0 H SER A 365 -0.404 16.520 -15.095 1.00 0.00 H new ATOM 0 HA SER A 365 -2.770 18.212 -14.541 1.00 0.00 H new ATOM 0 HB2 SER A 365 -2.836 17.476 -16.819 1.00 0.00 H new ATOM 0 HB3 SER A 365 -2.275 15.868 -16.407 1.00 0.00 H new ATOM 0 HG SER A 365 -4.259 15.432 -15.403 1.00 0.00 H new ATOM 30 N GLY A 366 -2.790 16.836 -12.382 1.00 0.00 N ATOM 31 CA GLY A 366 -3.160 16.039 -11.227 1.00 0.00 C ATOM 32 C GLY A 366 -3.262 16.866 -9.961 1.00 0.00 C ATOM 33 O GLY A 366 -4.183 16.683 -9.164 1.00 0.00 O ATOM 0 H GLY A 366 -2.575 17.812 -12.178 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -4.116 15.552 -11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -2.423 15.249 -11.083 1.00 0.00 H new ATOM 37 N SER A 367 -2.314 17.778 -9.773 1.00 0.00 N ATOM 38 CA SER A 367 -2.298 18.633 -8.592 1.00 0.00 C ATOM 39 C SER A 367 -3.714 19.041 -8.198 1.00 0.00 C ATOM 40 O SER A 367 -4.099 18.942 -7.033 1.00 0.00 O ATOM 41 CB SER A 367 -1.449 19.880 -8.850 1.00 0.00 C ATOM 42 OG SER A 367 -0.082 19.631 -8.574 1.00 0.00 O ATOM 0 H SER A 367 -1.546 17.944 -10.424 1.00 0.00 H new ATOM 0 HA SER A 367 -1.859 18.067 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 367 -1.563 20.193 -9.888 1.00 0.00 H new ATOM 0 HB3 SER A 367 -1.805 20.702 -8.228 1.00 0.00 H new ATOM 0 HG SER A 367 0.440 20.442 -8.748 1.00 0.00 H new ATOM 48 N SER A 368 -4.486 19.500 -9.178 1.00 0.00 N ATOM 49 CA SER A 368 -5.859 19.927 -8.935 1.00 0.00 C ATOM 50 C SER A 368 -6.825 18.754 -9.071 1.00 0.00 C ATOM 51 O SER A 368 -7.120 18.304 -10.177 1.00 0.00 O ATOM 52 CB SER A 368 -6.249 21.040 -9.909 1.00 0.00 C ATOM 53 OG SER A 368 -5.988 20.660 -11.249 1.00 0.00 O ATOM 0 H SER A 368 -4.184 19.586 -10.148 1.00 0.00 H new ATOM 0 HA SER A 368 -5.920 20.308 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 368 -7.307 21.274 -9.794 1.00 0.00 H new ATOM 0 HB3 SER A 368 -5.694 21.947 -9.670 1.00 0.00 H new ATOM 0 HG SER A 368 -6.268 19.731 -11.386 1.00 0.00 H new ATOM 59 N GLY A 369 -7.314 18.263 -7.936 1.00 0.00 N ATOM 60 CA GLY A 369 -8.241 17.147 -7.950 1.00 0.00 C ATOM 61 C GLY A 369 -8.447 16.547 -6.573 1.00 0.00 C ATOM 62 O GLY A 369 -9.562 16.541 -6.052 1.00 0.00 O ATOM 0 H GLY A 369 -7.085 18.618 -7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 369 -9.201 17.481 -8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 369 -7.868 16.378 -8.626 1.00 0.00 H new ATOM 66 N GLN A 370 -7.369 16.040 -5.983 1.00 0.00 N ATOM 67 CA GLN A 370 -7.438 15.434 -4.659 1.00 0.00 C ATOM 68 C GLN A 370 -6.505 16.145 -3.684 1.00 0.00 C ATOM 69 O GLN A 370 -5.346 16.411 -4.001 1.00 0.00 O ATOM 70 CB GLN A 370 -7.078 13.949 -4.735 1.00 0.00 C ATOM 71 CG GLN A 370 -8.235 13.064 -5.170 1.00 0.00 C ATOM 72 CD GLN A 370 -8.107 11.643 -4.657 1.00 0.00 C ATOM 73 OE1 GLN A 370 -7.035 11.040 -4.725 1.00 0.00 O ATOM 74 NE2 GLN A 370 -9.202 11.099 -4.140 1.00 0.00 N ATOM 0 H GLN A 370 -6.438 16.037 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 370 -8.460 15.536 -4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 370 -6.250 13.820 -5.432 1.00 0.00 H new ATOM 0 HB3 GLN A 370 -6.726 13.619 -3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 370 -9.171 13.493 -4.811 1.00 0.00 H new ATOM 0 HG3 GLN A 370 -8.288 13.050 -6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 370 -10.069 11.635 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 370 -9.176 10.145 -3.779 1.00 0.00 H new ATOM 83 N ASP A 371 -7.019 16.452 -2.498 1.00 0.00 N ATOM 84 CA ASP A 371 -6.232 17.133 -1.477 1.00 0.00 C ATOM 85 C ASP A 371 -5.386 16.137 -0.689 1.00 0.00 C ATOM 86 O ASP A 371 -5.777 15.692 0.390 1.00 0.00 O ATOM 87 CB ASP A 371 -7.148 17.906 -0.527 1.00 0.00 C ATOM 88 CG ASP A 371 -8.278 17.050 0.011 1.00 0.00 C ATOM 89 OD1 ASP A 371 -9.076 16.540 -0.803 1.00 0.00 O ATOM 90 OD2 ASP A 371 -8.364 16.891 1.246 1.00 0.00 O ATOM 0 H ASP A 371 -7.977 16.240 -2.220 1.00 0.00 H new ATOM 0 HA ASP A 371 -5.564 17.835 -1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 371 -6.560 18.292 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 371 -7.565 18.767 -1.049 1.00 0.00 H new ATOM 95 N GLY A 372 -4.225 15.790 -1.237 1.00 0.00 N ATOM 96 CA GLY A 372 -3.343 14.849 -0.572 1.00 0.00 C ATOM 97 C GLY A 372 -2.100 14.546 -1.385 1.00 0.00 C ATOM 98 O GLY A 372 -1.095 15.248 -1.281 1.00 0.00 O ATOM 0 H GLY A 372 -3.880 16.144 -2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 372 -3.050 15.253 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 372 -3.883 13.922 -0.381 1.00 0.00 H new ATOM 102 N GLY A 373 -2.167 13.495 -2.197 1.00 0.00 N ATOM 103 CA GLY A 373 -1.031 13.118 -3.017 1.00 0.00 C ATOM 104 C GLY A 373 -0.201 12.017 -2.388 1.00 0.00 C ATOM 105 O GLY A 373 1.008 12.167 -2.208 1.00 0.00 O ATOM 0 H GLY A 373 -2.988 12.898 -2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 373 -1.385 12.788 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -0.402 13.992 -3.185 1.00 0.00 H new ATOM 109 N ARG A 374 -0.850 10.908 -2.050 1.00 0.00 N ATOM 110 CA ARG A 374 -0.165 9.778 -1.434 1.00 0.00 C ATOM 111 C ARG A 374 -0.231 8.546 -2.332 1.00 0.00 C ATOM 112 O ARG A 374 -1.017 8.496 -3.278 1.00 0.00 O ATOM 113 CB ARG A 374 -0.781 9.462 -0.070 1.00 0.00 C ATOM 114 CG ARG A 374 -2.236 9.029 -0.145 1.00 0.00 C ATOM 115 CD ARG A 374 -2.882 9.004 1.231 1.00 0.00 C ATOM 116 NE ARG A 374 -3.264 10.340 1.681 1.00 0.00 N ATOM 117 CZ ARG A 374 -3.987 10.570 2.771 1.00 0.00 C ATOM 118 NH1 ARG A 374 -4.406 9.558 3.518 1.00 0.00 N ATOM 119 NH2 ARG A 374 -4.294 11.814 3.115 1.00 0.00 N ATOM 0 H ARG A 374 -1.850 10.768 -2.192 1.00 0.00 H new ATOM 0 HA ARG A 374 0.881 10.051 -1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 374 -0.200 8.673 0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 374 -0.705 10.344 0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 374 -2.786 9.710 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 374 -2.299 8.039 -0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 374 -3.764 8.364 1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 374 -2.189 8.564 1.949 1.00 0.00 H new ATOM 0 HE ARG A 374 -2.959 11.141 1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 374 -4.173 8.600 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 374 -4.961 9.737 4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 374 -3.975 12.595 2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 374 -4.849 11.989 3.952 1.00 0.00 H new ATOM 133 N LYS A 375 0.601 7.555 -2.030 1.00 0.00 N ATOM 134 CA LYS A 375 0.638 6.323 -2.808 1.00 0.00 C ATOM 135 C LYS A 375 0.316 5.116 -1.931 1.00 0.00 C ATOM 136 O LYS A 375 1.130 4.705 -1.104 1.00 0.00 O ATOM 137 CB LYS A 375 2.013 6.145 -3.455 1.00 0.00 C ATOM 138 CG LYS A 375 2.192 6.947 -4.732 1.00 0.00 C ATOM 139 CD LYS A 375 2.644 8.368 -4.439 1.00 0.00 C ATOM 140 CE LYS A 375 2.893 9.149 -5.720 1.00 0.00 C ATOM 141 NZ LYS A 375 4.232 8.850 -6.301 1.00 0.00 N ATOM 0 H LYS A 375 1.259 7.581 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 375 -0.118 6.394 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 375 2.782 6.438 -2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 375 2.168 5.089 -3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 375 2.925 6.456 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 375 1.252 6.970 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 375 1.886 8.876 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 375 3.556 8.345 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 375 2.119 8.908 -6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 375 2.816 10.217 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 4.363 9.402 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 4.972 9.104 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 4.296 7.835 -6.521 1.00 0.00 H new ATOM 155 N ILE A 376 -0.872 4.553 -2.120 1.00 0.00 N ATOM 156 CA ILE A 376 -1.298 3.392 -1.348 1.00 0.00 C ATOM 157 C ILE A 376 -1.838 2.295 -2.259 1.00 0.00 C ATOM 158 O ILE A 376 -2.548 2.569 -3.226 1.00 0.00 O ATOM 159 CB ILE A 376 -2.380 3.768 -0.318 1.00 0.00 C ATOM 160 CG1 ILE A 376 -1.870 4.872 0.610 1.00 0.00 C ATOM 161 CG2 ILE A 376 -2.795 2.543 0.484 1.00 0.00 C ATOM 162 CD1 ILE A 376 -2.951 5.480 1.476 1.00 0.00 C ATOM 0 H ILE A 376 -1.557 4.882 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 376 -0.419 3.023 -0.821 1.00 0.00 H new ATOM 0 HB ILE A 376 -3.254 4.143 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 376 -1.088 4.464 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 376 -1.412 5.658 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 376 -3.560 2.824 1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 376 -3.194 1.785 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 376 -1.929 2.141 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 376 -2.518 6.255 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 376 -3.722 5.918 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 376 -3.393 4.706 2.103 1.00 0.00 H new ATOM 174 N CYS A 377 -1.498 1.050 -1.942 1.00 0.00 N ATOM 175 CA CYS A 377 -1.948 -0.091 -2.729 1.00 0.00 C ATOM 176 C CYS A 377 -3.472 -0.151 -2.776 1.00 0.00 C ATOM 177 O CYS A 377 -4.143 -0.327 -1.759 1.00 0.00 O ATOM 178 CB CYS A 377 -1.393 -1.392 -2.146 1.00 0.00 C ATOM 179 SG CYS A 377 -1.639 -2.849 -3.211 1.00 0.00 S ATOM 0 H CYS A 377 -0.911 0.806 -1.144 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.574 0.031 -3.746 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -0.326 -1.268 -1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -1.866 -1.576 -1.182 1.00 0.00 H new ATOM 184 N PRO A 378 -4.033 -0.003 -3.986 1.00 0.00 N ATOM 185 CA PRO A 378 -5.484 -0.038 -4.195 1.00 0.00 C ATOM 186 C PRO A 378 -6.066 -1.432 -3.988 1.00 0.00 C ATOM 187 O PRO A 378 -7.266 -1.646 -4.163 1.00 0.00 O ATOM 188 CB PRO A 378 -5.642 0.397 -5.654 1.00 0.00 C ATOM 189 CG PRO A 378 -4.349 0.035 -6.299 1.00 0.00 C ATOM 190 CD PRO A 378 -3.295 0.210 -5.242 1.00 0.00 C ATOM 0 HA PRO A 378 -6.014 0.599 -3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -6.479 -0.113 -6.131 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -5.836 1.467 -5.729 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -4.369 -0.992 -6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -4.149 0.675 -7.159 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -2.485 -0.510 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -2.847 1.203 -5.282 1.00 0.00 H new ATOM 198 N ARG A 379 -5.209 -2.376 -3.613 1.00 0.00 N ATOM 199 CA ARG A 379 -5.639 -3.750 -3.383 1.00 0.00 C ATOM 200 C ARG A 379 -5.673 -4.066 -1.891 1.00 0.00 C ATOM 201 O ARG A 379 -6.740 -4.280 -1.315 1.00 0.00 O ATOM 202 CB ARG A 379 -4.706 -4.726 -4.101 1.00 0.00 C ATOM 203 CG ARG A 379 -5.312 -6.104 -4.314 1.00 0.00 C ATOM 204 CD ARG A 379 -6.170 -6.148 -5.568 1.00 0.00 C ATOM 205 NE ARG A 379 -6.472 -7.517 -5.977 1.00 0.00 N ATOM 206 CZ ARG A 379 -7.483 -8.224 -5.486 1.00 0.00 C ATOM 207 NH1 ARG A 379 -8.286 -7.694 -4.573 1.00 0.00 N ATOM 208 NH2 ARG A 379 -7.694 -9.464 -5.908 1.00 0.00 N ATOM 0 H ARG A 379 -4.213 -2.215 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 379 -6.647 -3.861 -3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -4.430 -4.306 -5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -3.787 -4.828 -3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -4.516 -6.845 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -5.917 -6.374 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -7.101 -5.609 -5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -5.654 -5.633 -6.378 1.00 0.00 H new ATOM 0 HE ARG A 379 -5.874 -7.954 -6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -8.128 -6.741 -4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -9.062 -8.240 -4.198 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -7.079 -9.875 -6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -8.471 -10.006 -5.530 1.00 0.00 H new ATOM 222 N CYS A 380 -4.498 -4.096 -1.271 1.00 0.00 N ATOM 223 CA CYS A 380 -4.392 -4.387 0.154 1.00 0.00 C ATOM 224 C CYS A 380 -4.606 -3.125 0.984 1.00 0.00 C ATOM 225 O CYS A 380 -5.104 -3.186 2.108 1.00 0.00 O ATOM 226 CB CYS A 380 -3.023 -4.993 0.471 1.00 0.00 C ATOM 227 SG CYS A 380 -1.623 -3.871 0.157 1.00 0.00 S ATOM 0 H CYS A 380 -3.605 -3.922 -1.733 1.00 0.00 H new ATOM 0 HA CYS A 380 -5.169 -5.106 0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 380 -3.005 -5.295 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 380 -2.891 -5.897 -0.124 1.00 0.00 H new ATOM 232 N ASN A 381 -4.228 -1.982 0.422 1.00 0.00 N ATOM 233 CA ASN A 381 -4.378 -0.705 1.110 1.00 0.00 C ATOM 234 C ASN A 381 -3.405 -0.600 2.281 1.00 0.00 C ATOM 235 O ASN A 381 -3.789 -0.225 3.389 1.00 0.00 O ATOM 236 CB ASN A 381 -5.814 -0.537 1.610 1.00 0.00 C ATOM 237 CG ASN A 381 -6.109 0.882 2.056 1.00 0.00 C ATOM 238 OD1 ASN A 381 -5.790 1.844 1.357 1.00 0.00 O ATOM 239 ND2 ASN A 381 -6.722 1.019 3.227 1.00 0.00 N ATOM 0 H ASN A 381 -3.815 -1.914 -0.508 1.00 0.00 H new ATOM 0 HA ASN A 381 -4.152 0.090 0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 381 -6.507 -0.817 0.817 1.00 0.00 H new ATOM 0 HB3 ASN A 381 -5.988 -1.220 2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 381 -6.946 1.950 3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 381 -6.968 0.194 3.773 1.00 0.00 H new ATOM 246 N ALA A 382 -2.144 -0.934 2.027 1.00 0.00 N ATOM 247 CA ALA A 382 -1.116 -0.875 3.059 1.00 0.00 C ATOM 248 C ALA A 382 -0.391 0.467 3.036 1.00 0.00 C ATOM 249 O ALA A 382 -0.465 1.205 2.053 1.00 0.00 O ATOM 250 CB ALA A 382 -0.125 -2.015 2.882 1.00 0.00 C ATOM 0 H ALA A 382 -1.810 -1.248 1.116 1.00 0.00 H new ATOM 0 HA ALA A 382 -1.603 -0.979 4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 382 0.637 -1.959 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 382 -0.649 -2.968 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 382 0.349 -1.937 1.903 1.00 0.00 H new ATOM 256 N GLN A 383 0.307 0.776 4.123 1.00 0.00 N ATOM 257 CA GLN A 383 1.043 2.030 4.227 1.00 0.00 C ATOM 258 C GLN A 383 2.483 1.857 3.753 1.00 0.00 C ATOM 259 O GLN A 383 3.140 0.868 4.079 1.00 0.00 O ATOM 260 CB GLN A 383 1.026 2.538 5.670 1.00 0.00 C ATOM 261 CG GLN A 383 -0.168 3.424 5.989 1.00 0.00 C ATOM 262 CD GLN A 383 0.038 4.860 5.551 1.00 0.00 C ATOM 263 OE1 GLN A 383 0.569 5.123 4.471 1.00 0.00 O ATOM 264 NE2 GLN A 383 -0.383 5.801 6.389 1.00 0.00 N ATOM 0 H GLN A 383 0.379 0.175 4.944 1.00 0.00 H new ATOM 0 HA GLN A 383 0.554 2.763 3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 383 1.025 1.684 6.347 1.00 0.00 H new ATOM 0 HB3 GLN A 383 1.943 3.095 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 383 -1.055 3.022 5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 383 -0.358 3.399 7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -0.818 5.539 7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -0.272 6.786 6.148 1.00 0.00 H new ATOM 273 N PHE A 384 2.967 2.825 2.982 1.00 0.00 N ATOM 274 CA PHE A 384 4.329 2.779 2.462 1.00 0.00 C ATOM 275 C PHE A 384 4.957 4.169 2.459 1.00 0.00 C ATOM 276 O PHE A 384 4.267 5.173 2.281 1.00 0.00 O ATOM 277 CB PHE A 384 4.337 2.199 1.046 1.00 0.00 C ATOM 278 CG PHE A 384 3.779 0.807 0.965 1.00 0.00 C ATOM 279 CD1 PHE A 384 4.587 -0.292 1.205 1.00 0.00 C ATOM 280 CD2 PHE A 384 2.447 0.598 0.647 1.00 0.00 C ATOM 281 CE1 PHE A 384 4.077 -1.575 1.131 1.00 0.00 C ATOM 282 CE2 PHE A 384 1.931 -0.682 0.572 1.00 0.00 C ATOM 283 CZ PHE A 384 2.748 -1.770 0.813 1.00 0.00 C ATOM 0 H PHE A 384 2.437 3.651 2.703 1.00 0.00 H new ATOM 0 HA PHE A 384 4.919 2.135 3.114 1.00 0.00 H new ATOM 0 HB2 PHE A 384 3.760 2.852 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 384 5.360 2.194 0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 384 5.628 -0.145 1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 384 1.805 1.445 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 384 4.718 -2.423 1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 384 0.890 -0.832 0.325 1.00 0.00 H new ATOM 0 HZ PHE A 384 2.347 -2.771 0.753 1.00 0.00 H new ATOM 293 N ARG A 385 6.270 4.219 2.657 1.00 0.00 N ATOM 294 CA ARG A 385 6.992 5.486 2.679 1.00 0.00 C ATOM 295 C ARG A 385 7.802 5.672 1.399 1.00 0.00 C ATOM 296 O ARG A 385 7.714 6.709 0.741 1.00 0.00 O ATOM 297 CB ARG A 385 7.917 5.549 3.895 1.00 0.00 C ATOM 298 CG ARG A 385 7.190 5.402 5.222 1.00 0.00 C ATOM 299 CD ARG A 385 6.469 6.685 5.606 1.00 0.00 C ATOM 300 NE ARG A 385 7.401 7.759 5.936 1.00 0.00 N ATOM 301 CZ ARG A 385 8.085 7.815 7.073 1.00 0.00 C ATOM 302 NH1 ARG A 385 7.942 6.863 7.984 1.00 0.00 N ATOM 303 NH2 ARG A 385 8.915 8.826 7.301 1.00 0.00 N ATOM 0 H ARG A 385 6.856 3.397 2.805 1.00 0.00 H new ATOM 0 HA ARG A 385 6.261 6.292 2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 385 8.666 4.762 3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 385 8.451 6.499 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 385 6.471 4.585 5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 385 7.904 5.137 6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 385 5.829 7.001 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 385 5.819 6.494 6.460 1.00 0.00 H new ATOM 0 HE ARG A 385 7.534 8.508 5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 385 7.305 6.085 7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 385 8.469 6.909 8.856 1.00 0.00 H new ATOM 0 HH21 ARG A 385 9.028 9.561 6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 385 9.440 8.868 8.175 1.00 0.00 H new ATOM 317 N VAL A 386 8.591 4.660 1.052 1.00 0.00 N ATOM 318 CA VAL A 386 9.417 4.711 -0.148 1.00 0.00 C ATOM 319 C VAL A 386 8.692 4.097 -1.341 1.00 0.00 C ATOM 320 O VAL A 386 7.870 3.194 -1.184 1.00 0.00 O ATOM 321 CB VAL A 386 10.755 3.976 0.059 1.00 0.00 C ATOM 322 CG1 VAL A 386 11.661 4.769 0.988 1.00 0.00 C ATOM 323 CG2 VAL A 386 10.514 2.576 0.602 1.00 0.00 C ATOM 0 H VAL A 386 8.675 3.795 1.585 1.00 0.00 H new ATOM 0 HA VAL A 386 9.617 5.763 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 386 11.254 3.886 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 386 12.601 4.235 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 386 11.859 5.749 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 386 11.172 4.893 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 386 11.470 2.071 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 386 9.994 2.641 1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 386 9.905 2.012 -0.104 1.00 0.00 H new ATOM 333 N THR A 387 9.002 4.594 -2.534 1.00 0.00 N ATOM 334 CA THR A 387 8.380 4.095 -3.754 1.00 0.00 C ATOM 335 C THR A 387 8.836 2.674 -4.063 1.00 0.00 C ATOM 336 O THR A 387 8.078 1.875 -4.612 1.00 0.00 O ATOM 337 CB THR A 387 8.702 4.999 -4.959 1.00 0.00 C ATOM 338 OG1 THR A 387 8.100 4.468 -6.145 1.00 0.00 O ATOM 339 CG2 THR A 387 10.206 5.119 -5.159 1.00 0.00 C ATOM 0 H THR A 387 9.680 5.342 -2.681 1.00 0.00 H new ATOM 0 HA THR A 387 7.303 4.099 -3.584 1.00 0.00 H new ATOM 0 HB THR A 387 8.297 5.991 -4.759 1.00 0.00 H new ATOM 0 HG1 THR A 387 8.308 5.049 -6.906 1.00 0.00 H new ATOM 0 HG21 THR A 387 10.409 5.762 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 387 10.659 5.550 -4.266 1.00 0.00 H new ATOM 0 HG23 THR A 387 10.629 4.131 -5.339 1.00 0.00 H new ATOM 347 N GLU A 388 10.079 2.365 -3.705 1.00 0.00 N ATOM 348 CA GLU A 388 10.635 1.039 -3.945 1.00 0.00 C ATOM 349 C GLU A 388 9.734 -0.043 -3.356 1.00 0.00 C ATOM 350 O GLU A 388 9.386 -1.011 -4.031 1.00 0.00 O ATOM 351 CB GLU A 388 12.038 0.933 -3.344 1.00 0.00 C ATOM 352 CG GLU A 388 13.132 1.464 -4.255 1.00 0.00 C ATOM 353 CD GLU A 388 13.308 0.624 -5.505 1.00 0.00 C ATOM 354 OE1 GLU A 388 13.936 -0.452 -5.413 1.00 0.00 O ATOM 355 OE2 GLU A 388 12.819 1.042 -6.575 1.00 0.00 O ATOM 0 H GLU A 388 10.719 3.015 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 388 10.698 0.889 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 388 12.063 1.481 -2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 388 12.246 -0.111 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 388 12.896 2.489 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 388 14.073 1.495 -3.707 1.00 0.00 H new ATOM 362 N ALA A 389 9.362 0.128 -2.092 1.00 0.00 N ATOM 363 CA ALA A 389 8.501 -0.832 -1.412 1.00 0.00 C ATOM 364 C ALA A 389 7.303 -1.205 -2.278 1.00 0.00 C ATOM 365 O ALA A 389 7.080 -2.380 -2.574 1.00 0.00 O ATOM 366 CB ALA A 389 8.035 -0.269 -0.077 1.00 0.00 C ATOM 0 H ALA A 389 9.643 0.923 -1.518 1.00 0.00 H new ATOM 0 HA ALA A 389 9.080 -1.737 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 389 7.393 -0.996 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 389 8.901 -0.059 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 389 7.477 0.652 -0.245 1.00 0.00 H new ATOM 372 N LEU A 390 6.535 -0.199 -2.681 1.00 0.00 N ATOM 373 CA LEU A 390 5.358 -0.422 -3.514 1.00 0.00 C ATOM 374 C LEU A 390 5.714 -1.237 -4.754 1.00 0.00 C ATOM 375 O LEU A 390 5.067 -2.239 -5.057 1.00 0.00 O ATOM 376 CB LEU A 390 4.741 0.915 -3.928 1.00 0.00 C ATOM 377 CG LEU A 390 3.858 1.599 -2.884 1.00 0.00 C ATOM 378 CD1 LEU A 390 3.608 3.050 -3.265 1.00 0.00 C ATOM 379 CD2 LEU A 390 2.542 0.852 -2.726 1.00 0.00 C ATOM 0 H LEU A 390 6.706 0.778 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 390 4.631 -0.985 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 390 5.548 1.597 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 390 4.147 0.755 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 390 4.379 1.581 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 390 2.978 3.521 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 390 4.559 3.579 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 390 3.108 3.091 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 390 1.927 1.353 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 390 2.015 0.838 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 390 2.740 -0.171 -2.406 1.00 0.00 H new ATOM 391 N ARG A 391 6.748 -0.800 -5.465 1.00 0.00 N ATOM 392 CA ARG A 391 7.191 -1.489 -6.671 1.00 0.00 C ATOM 393 C ARG A 391 7.199 -3.001 -6.462 1.00 0.00 C ATOM 394 O ARG A 391 6.517 -3.739 -7.171 1.00 0.00 O ATOM 395 CB ARG A 391 8.588 -1.012 -7.073 1.00 0.00 C ATOM 396 CG ARG A 391 8.869 -1.136 -8.562 1.00 0.00 C ATOM 397 CD ARG A 391 9.093 -2.584 -8.967 1.00 0.00 C ATOM 398 NE ARG A 391 10.359 -3.105 -8.458 1.00 0.00 N ATOM 399 CZ ARG A 391 10.993 -4.145 -8.989 1.00 0.00 C ATOM 400 NH1 ARG A 391 10.482 -4.770 -10.041 1.00 0.00 N ATOM 401 NH2 ARG A 391 12.141 -4.560 -8.469 1.00 0.00 N ATOM 0 H ARG A 391 7.295 0.028 -5.227 1.00 0.00 H new ATOM 0 HA ARG A 391 6.490 -1.254 -7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 391 8.707 0.030 -6.775 1.00 0.00 H new ATOM 0 HB3 ARG A 391 9.332 -1.588 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 391 8.033 -0.724 -9.127 1.00 0.00 H new ATOM 0 HG3 ARG A 391 9.748 -0.545 -8.818 1.00 0.00 H new ATOM 0 HD2 ARG A 391 8.272 -3.196 -8.593 1.00 0.00 H new ATOM 0 HD3 ARG A 391 9.079 -2.663 -10.054 1.00 0.00 H new ATOM 0 HE ARG A 391 10.780 -2.645 -7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 391 9.601 -4.453 -10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 391 10.970 -5.568 -10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 391 12.538 -4.081 -7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 391 12.627 -5.358 -8.877 1.00 0.00 H new ATOM 415 N GLY A 392 7.977 -3.453 -5.483 1.00 0.00 N ATOM 416 CA GLY A 392 8.060 -4.874 -5.198 1.00 0.00 C ATOM 417 C GLY A 392 6.805 -5.406 -4.534 1.00 0.00 C ATOM 418 O GLY A 392 6.098 -6.238 -5.103 1.00 0.00 O ATOM 0 H GLY A 392 8.551 -2.861 -4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 392 8.235 -5.418 -6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 392 8.917 -5.062 -4.552 1.00 0.00 H new ATOM 422 N HIS A 393 6.530 -4.928 -3.325 1.00 0.00 N ATOM 423 CA HIS A 393 5.352 -5.362 -2.581 1.00 0.00 C ATOM 424 C HIS A 393 4.163 -5.561 -3.515 1.00 0.00 C ATOM 425 O HIS A 393 3.520 -6.610 -3.502 1.00 0.00 O ATOM 426 CB HIS A 393 5.001 -4.340 -1.499 1.00 0.00 C ATOM 427 CG HIS A 393 3.553 -4.346 -1.117 1.00 0.00 C ATOM 428 ND1 HIS A 393 3.048 -5.123 -0.096 1.00 0.00 N ATOM 429 CD2 HIS A 393 2.500 -3.664 -1.624 1.00 0.00 C ATOM 430 CE1 HIS A 393 1.747 -4.920 0.008 1.00 0.00 C ATOM 431 NE2 HIS A 393 1.389 -4.037 -0.908 1.00 0.00 N ATOM 0 H HIS A 393 7.106 -4.240 -2.839 1.00 0.00 H new ATOM 0 HA HIS A 393 5.583 -6.316 -2.107 1.00 0.00 H new ATOM 0 HB2 HIS A 393 5.603 -4.540 -0.613 1.00 0.00 H new ATOM 0 HB3 HIS A 393 5.272 -3.344 -1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 393 2.528 -2.957 -2.440 1.00 0.00 H new ATOM 0 HE1 HIS A 393 1.088 -5.395 0.720 1.00 0.00 H new ATOM 0 HE2 HIS A 393 0.442 -3.689 -1.059 1.00 0.00 H new ATOM 439 N MET A 394 3.875 -4.546 -4.324 1.00 0.00 N ATOM 440 CA MET A 394 2.763 -4.611 -5.265 1.00 0.00 C ATOM 441 C MET A 394 2.999 -5.694 -6.313 1.00 0.00 C ATOM 442 O MET A 394 2.098 -6.472 -6.628 1.00 0.00 O ATOM 443 CB MET A 394 2.567 -3.257 -5.950 1.00 0.00 C ATOM 444 CG MET A 394 2.192 -2.139 -4.990 1.00 0.00 C ATOM 445 SD MET A 394 1.824 -0.591 -5.837 1.00 0.00 S ATOM 446 CE MET A 394 0.249 -0.985 -6.594 1.00 0.00 C ATOM 0 H MET A 394 4.396 -3.669 -4.347 1.00 0.00 H new ATOM 0 HA MET A 394 1.862 -4.862 -4.706 1.00 0.00 H new ATOM 0 HB2 MET A 394 3.486 -2.986 -6.470 1.00 0.00 H new ATOM 0 HB3 MET A 394 1.788 -3.351 -6.707 1.00 0.00 H new ATOM 0 HG2 MET A 394 1.324 -2.444 -4.405 1.00 0.00 H new ATOM 0 HG3 MET A 394 3.010 -1.979 -4.288 1.00 0.00 H new ATOM 0 HE1 MET A 394 -0.243 -0.065 -6.909 1.00 0.00 H new ATOM 0 HE2 MET A 394 0.412 -1.625 -7.461 1.00 0.00 H new ATOM 0 HE3 MET A 394 -0.381 -1.505 -5.873 1.00 0.00 H new ATOM 456 N CYS A 395 4.214 -5.738 -6.848 1.00 0.00 N ATOM 457 CA CYS A 395 4.568 -6.726 -7.861 1.00 0.00 C ATOM 458 C CYS A 395 4.034 -8.105 -7.486 1.00 0.00 C ATOM 459 O CYS A 395 3.451 -8.803 -8.316 1.00 0.00 O ATOM 460 CB CYS A 395 6.086 -6.784 -8.039 1.00 0.00 C ATOM 461 SG CYS A 395 6.618 -7.488 -9.617 1.00 0.00 S ATOM 0 H CYS A 395 4.970 -5.101 -6.597 1.00 0.00 H new ATOM 0 HA CYS A 395 4.111 -6.424 -8.803 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.490 -5.776 -7.948 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.514 -7.373 -7.228 1.00 0.00 H new ATOM 0 HG CYS A 395 7.917 -7.493 -9.674 1.00 0.00 H new ATOM 467 N TYR A 396 4.240 -8.492 -6.232 1.00 0.00 N ATOM 468 CA TYR A 396 3.784 -9.789 -5.748 1.00 0.00 C ATOM 469 C TYR A 396 2.342 -9.710 -5.256 1.00 0.00 C ATOM 470 O TYR A 396 1.496 -10.517 -5.643 1.00 0.00 O ATOM 471 CB TYR A 396 4.692 -10.285 -4.621 1.00 0.00 C ATOM 472 CG TYR A 396 6.119 -10.530 -5.058 1.00 0.00 C ATOM 473 CD1 TYR A 396 7.006 -9.475 -5.225 1.00 0.00 C ATOM 474 CD2 TYR A 396 6.579 -11.819 -5.302 1.00 0.00 C ATOM 475 CE1 TYR A 396 8.310 -9.695 -5.624 1.00 0.00 C ATOM 476 CE2 TYR A 396 7.882 -12.048 -5.700 1.00 0.00 C ATOM 477 CZ TYR A 396 8.743 -10.983 -5.861 1.00 0.00 C ATOM 478 OH TYR A 396 10.042 -11.206 -6.257 1.00 0.00 O ATOM 0 H TYR A 396 4.720 -7.926 -5.532 1.00 0.00 H new ATOM 0 HA TYR A 396 3.828 -10.494 -6.578 1.00 0.00 H new ATOM 0 HB2 TYR A 396 4.689 -9.553 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 396 4.281 -11.209 -4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 396 6.671 -8.465 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 396 5.907 -12.655 -5.178 1.00 0.00 H new ATOM 0 HE1 TYR A 396 8.987 -8.863 -5.750 1.00 0.00 H new ATOM 0 HE2 TYR A 396 8.224 -13.056 -5.884 1.00 0.00 H new ATOM 0 HH TYR A 396 10.186 -12.167 -6.381 1.00 0.00 H new ATOM 488 N CYS A 397 2.068 -8.732 -4.400 1.00 0.00 N ATOM 489 CA CYS A 397 0.729 -8.545 -3.853 1.00 0.00 C ATOM 490 C CYS A 397 -0.307 -8.459 -4.970 1.00 0.00 C ATOM 491 O CYS A 397 -1.184 -9.317 -5.084 1.00 0.00 O ATOM 492 CB CYS A 397 0.678 -7.278 -2.997 1.00 0.00 C ATOM 493 SG CYS A 397 -1.008 -6.745 -2.558 1.00 0.00 S ATOM 0 H CYS A 397 2.756 -8.056 -4.069 1.00 0.00 H new ATOM 0 HA CYS A 397 0.494 -9.407 -3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 397 1.244 -7.448 -2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 397 1.175 -6.470 -3.533 1.00 0.00 H new ATOM 498 N CYS A 398 -0.200 -7.420 -5.791 1.00 0.00 N ATOM 499 CA CYS A 398 -1.127 -7.222 -6.899 1.00 0.00 C ATOM 500 C CYS A 398 -0.373 -7.003 -8.206 1.00 0.00 C ATOM 501 O CYS A 398 -0.160 -5.873 -8.646 1.00 0.00 O ATOM 502 CB CYS A 398 -2.043 -6.030 -6.617 1.00 0.00 C ATOM 503 SG CYS A 398 -1.165 -4.471 -6.355 1.00 0.00 S ATOM 0 H CYS A 398 0.520 -6.702 -5.710 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.734 -8.122 -6.998 1.00 0.00 H new ATOM 0 HB2 CYS A 398 -2.733 -5.910 -7.452 1.00 0.00 H new ATOM 0 HB3 CYS A 398 -2.645 -6.249 -5.735 1.00 0.00 H new ATOM 0 HG CYS A 398 -1.443 -4.010 -5.171 1.00 0.00 H new ATOM 509 N PRO A 399 0.041 -8.108 -8.843 1.00 0.00 N ATOM 510 CA PRO A 399 0.779 -8.062 -10.109 1.00 0.00 C ATOM 511 C PRO A 399 -0.093 -7.601 -11.272 1.00 0.00 C ATOM 512 O PRO A 399 0.278 -6.693 -12.015 1.00 0.00 O ATOM 513 CB PRO A 399 1.220 -9.513 -10.315 1.00 0.00 C ATOM 514 CG PRO A 399 0.223 -10.323 -9.560 1.00 0.00 C ATOM 515 CD PRO A 399 -0.179 -9.487 -8.377 1.00 0.00 C ATOM 0 HA PRO A 399 1.605 -7.351 -10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 399 1.227 -9.778 -11.372 1.00 0.00 H new ATOM 0 HB3 PRO A 399 2.230 -9.677 -9.939 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -0.640 -10.559 -10.183 1.00 0.00 H new ATOM 0 HG3 PRO A 399 0.653 -11.272 -9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -1.220 -9.656 -8.100 1.00 0.00 H new ATOM 0 HD3 PRO A 399 0.425 -9.716 -7.499 1.00 0.00 H new ATOM 523 N GLU A 400 -1.254 -8.232 -11.422 1.00 0.00 N ATOM 524 CA GLU A 400 -2.178 -7.885 -12.496 1.00 0.00 C ATOM 525 C GLU A 400 -2.429 -6.380 -12.532 1.00 0.00 C ATOM 526 O GLU A 400 -2.297 -5.743 -13.576 1.00 0.00 O ATOM 527 CB GLU A 400 -3.502 -8.630 -12.319 1.00 0.00 C ATOM 528 CG GLU A 400 -3.427 -10.101 -12.691 1.00 0.00 C ATOM 529 CD GLU A 400 -3.189 -10.317 -14.173 1.00 0.00 C ATOM 530 OE1 GLU A 400 -4.167 -10.245 -14.947 1.00 0.00 O ATOM 531 OE2 GLU A 400 -2.026 -10.558 -14.559 1.00 0.00 O ATOM 0 H GLU A 400 -1.577 -8.985 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.725 -8.183 -13.442 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.823 -8.542 -11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.265 -8.148 -12.930 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -2.625 -10.574 -12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.355 -10.593 -12.400 1.00 0.00 H new ATOM 538 N MET A 401 -2.793 -5.819 -11.383 1.00 0.00 N ATOM 539 CA MET A 401 -3.063 -4.389 -11.283 1.00 0.00 C ATOM 540 C MET A 401 -1.950 -3.579 -11.940 1.00 0.00 C ATOM 541 O MET A 401 -2.211 -2.692 -12.752 1.00 0.00 O ATOM 542 CB MET A 401 -3.212 -3.978 -9.817 1.00 0.00 C ATOM 543 CG MET A 401 -4.625 -4.140 -9.281 1.00 0.00 C ATOM 544 SD MET A 401 -4.856 -3.343 -7.680 1.00 0.00 S ATOM 545 CE MET A 401 -6.430 -2.525 -7.933 1.00 0.00 C ATOM 0 H MET A 401 -2.908 -6.332 -10.509 1.00 0.00 H new ATOM 0 HA MET A 401 -3.996 -4.183 -11.807 1.00 0.00 H new ATOM 0 HB2 MET A 401 -2.531 -4.575 -9.210 1.00 0.00 H new ATOM 0 HB3 MET A 401 -2.908 -2.937 -9.707 1.00 0.00 H new ATOM 0 HG2 MET A 401 -5.331 -3.720 -9.997 1.00 0.00 H new ATOM 0 HG3 MET A 401 -4.856 -5.201 -9.191 1.00 0.00 H new ATOM 0 HE1 MET A 401 -6.863 -2.263 -6.968 1.00 0.00 H new ATOM 0 HE2 MET A 401 -6.279 -1.620 -8.521 1.00 0.00 H new ATOM 0 HE3 MET A 401 -7.107 -3.194 -8.465 1.00 0.00 H new ATOM 555 N VAL A 402 -0.708 -3.889 -11.583 1.00 0.00 N ATOM 556 CA VAL A 402 0.445 -3.190 -12.138 1.00 0.00 C ATOM 557 C VAL A 402 0.204 -2.803 -13.593 1.00 0.00 C ATOM 558 O VAL A 402 0.004 -3.664 -14.449 1.00 0.00 O ATOM 559 CB VAL A 402 1.719 -4.052 -12.052 1.00 0.00 C ATOM 560 CG1 VAL A 402 2.887 -3.346 -12.723 1.00 0.00 C ATOM 561 CG2 VAL A 402 2.044 -4.378 -10.602 1.00 0.00 C ATOM 0 H VAL A 402 -0.474 -4.620 -10.911 1.00 0.00 H new ATOM 0 HA VAL A 402 0.585 -2.288 -11.543 1.00 0.00 H new ATOM 0 HB VAL A 402 1.540 -4.989 -12.580 1.00 0.00 H new ATOM 0 HG11 VAL A 402 3.778 -3.970 -12.652 1.00 0.00 H new ATOM 0 HG12 VAL A 402 2.651 -3.168 -13.772 1.00 0.00 H new ATOM 0 HG13 VAL A 402 3.070 -2.393 -12.226 1.00 0.00 H new ATOM 0 HG21 VAL A 402 2.947 -4.987 -10.560 1.00 0.00 H new ATOM 0 HG22 VAL A 402 2.204 -3.453 -10.048 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.214 -4.928 -10.158 1.00 0.00 H new ATOM 571 N GLU A 403 0.226 -1.502 -13.865 1.00 0.00 N ATOM 572 CA GLU A 403 0.009 -1.001 -15.217 1.00 0.00 C ATOM 573 C GLU A 403 0.865 -1.764 -16.223 1.00 0.00 C ATOM 574 O GLU A 403 1.707 -2.580 -15.846 1.00 0.00 O ATOM 575 CB GLU A 403 0.329 0.493 -15.288 1.00 0.00 C ATOM 576 CG GLU A 403 -0.634 1.361 -14.495 1.00 0.00 C ATOM 577 CD GLU A 403 -0.210 1.530 -13.048 1.00 0.00 C ATOM 578 OE1 GLU A 403 1.001 1.411 -12.768 1.00 0.00 O ATOM 579 OE2 GLU A 403 -1.089 1.780 -12.198 1.00 0.00 O ATOM 0 H GLU A 403 0.392 -0.776 -13.168 1.00 0.00 H new ATOM 0 HA GLU A 403 -1.040 -1.153 -15.470 1.00 0.00 H new ATOM 0 HB2 GLU A 403 1.341 0.657 -14.918 1.00 0.00 H new ATOM 0 HB3 GLU A 403 0.315 0.810 -16.331 1.00 0.00 H new ATOM 0 HG2 GLU A 403 -0.706 2.341 -14.966 1.00 0.00 H new ATOM 0 HG3 GLU A 403 -1.629 0.918 -14.529 1.00 0.00 H new ATOM 586 N TYR A 404 0.644 -1.494 -17.505 1.00 0.00 N ATOM 587 CA TYR A 404 1.392 -2.157 -18.566 1.00 0.00 C ATOM 588 C TYR A 404 2.876 -2.229 -18.223 1.00 0.00 C ATOM 589 O TYR A 404 3.509 -1.213 -17.939 1.00 0.00 O ATOM 590 CB TYR A 404 1.199 -1.418 -19.892 1.00 0.00 C ATOM 591 CG TYR A 404 -0.206 -1.516 -20.441 1.00 0.00 C ATOM 592 CD1 TYR A 404 -0.760 -2.747 -20.771 1.00 0.00 C ATOM 593 CD2 TYR A 404 -0.980 -0.378 -20.631 1.00 0.00 C ATOM 594 CE1 TYR A 404 -2.043 -2.842 -21.274 1.00 0.00 C ATOM 595 CE2 TYR A 404 -2.265 -0.463 -21.131 1.00 0.00 C ATOM 596 CZ TYR A 404 -2.792 -1.697 -21.452 1.00 0.00 C ATOM 597 OH TYR A 404 -4.071 -1.786 -21.952 1.00 0.00 O ATOM 0 H TYR A 404 -0.047 -0.820 -17.834 1.00 0.00 H new ATOM 0 HA TYR A 404 1.011 -3.173 -18.664 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.453 -0.367 -19.753 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.896 -1.820 -20.627 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.177 -3.645 -20.632 1.00 0.00 H new ATOM 0 HD2 TYR A 404 -0.570 0.590 -20.383 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -2.457 -3.807 -21.526 1.00 0.00 H new ATOM 0 HE2 TYR A 404 -2.854 0.432 -21.270 1.00 0.00 H new ATOM 0 HH TYR A 404 -4.461 -0.889 -22.015 1.00 0.00 H new ATOM 607 N GLN A 405 3.425 -3.439 -18.252 1.00 0.00 N ATOM 608 CA GLN A 405 4.835 -3.646 -17.944 1.00 0.00 C ATOM 609 C GLN A 405 5.722 -2.829 -18.879 1.00 0.00 C ATOM 610 O GLN A 405 5.294 -2.425 -19.960 1.00 0.00 O ATOM 611 CB GLN A 405 5.191 -5.130 -18.052 1.00 0.00 C ATOM 612 CG GLN A 405 4.521 -5.994 -16.996 1.00 0.00 C ATOM 613 CD GLN A 405 5.162 -5.849 -15.630 1.00 0.00 C ATOM 614 OE1 GLN A 405 6.327 -5.467 -15.516 1.00 0.00 O ATOM 615 NE2 GLN A 405 4.402 -6.153 -14.584 1.00 0.00 N ATOM 0 H GLN A 405 2.915 -4.291 -18.486 1.00 0.00 H new ATOM 0 HA GLN A 405 5.010 -3.312 -16.921 1.00 0.00 H new ATOM 0 HB2 GLN A 405 4.907 -5.492 -19.040 1.00 0.00 H new ATOM 0 HB3 GLN A 405 6.272 -5.243 -17.970 1.00 0.00 H new ATOM 0 HG2 GLN A 405 3.467 -5.726 -16.928 1.00 0.00 H new ATOM 0 HG3 GLN A 405 4.565 -7.038 -17.305 1.00 0.00 H new ATOM 0 HE21 GLN A 405 3.441 -6.466 -14.725 1.00 0.00 H new ATOM 0 HE22 GLN A 405 4.779 -6.074 -13.640 1.00 0.00 H new ATOM 624 N SER A 406 6.959 -2.591 -18.455 1.00 0.00 N ATOM 625 CA SER A 406 7.905 -1.819 -19.252 1.00 0.00 C ATOM 626 C SER A 406 8.930 -2.733 -19.914 1.00 0.00 C ATOM 627 O SER A 406 10.002 -2.983 -19.365 1.00 0.00 O ATOM 628 CB SER A 406 8.616 -0.784 -18.377 1.00 0.00 C ATOM 629 OG SER A 406 9.040 0.328 -19.146 1.00 0.00 O ATOM 0 H SER A 406 7.329 -2.922 -17.564 1.00 0.00 H new ATOM 0 HA SER A 406 7.348 -1.302 -20.033 1.00 0.00 H new ATOM 0 HB2 SER A 406 7.945 -0.449 -17.586 1.00 0.00 H new ATOM 0 HB3 SER A 406 9.477 -1.244 -17.891 1.00 0.00 H new ATOM 0 HG SER A 406 9.490 0.976 -18.564 1.00 0.00 H new ATOM 635 N GLY A 407 8.592 -3.230 -21.100 1.00 0.00 N ATOM 636 CA GLY A 407 9.493 -4.112 -21.819 1.00 0.00 C ATOM 637 C GLY A 407 10.747 -3.402 -22.288 1.00 0.00 C ATOM 638 O GLY A 407 10.847 -2.176 -22.241 1.00 0.00 O ATOM 0 H GLY A 407 7.710 -3.038 -21.576 1.00 0.00 H new ATOM 0 HA2 GLY A 407 9.771 -4.946 -21.175 1.00 0.00 H new ATOM 0 HA3 GLY A 407 8.974 -4.533 -22.680 1.00 0.00 H new ATOM 642 N PRO A 408 11.735 -4.182 -22.752 1.00 0.00 N ATOM 643 CA PRO A 408 11.628 -5.643 -22.813 1.00 0.00 C ATOM 644 C PRO A 408 11.640 -6.283 -21.429 1.00 0.00 C ATOM 645 O PRO A 408 11.839 -5.604 -20.422 1.00 0.00 O ATOM 646 CB PRO A 408 12.871 -6.057 -23.605 1.00 0.00 C ATOM 647 CG PRO A 408 13.848 -4.955 -23.380 1.00 0.00 C ATOM 648 CD PRO A 408 13.033 -3.698 -23.253 1.00 0.00 C ATOM 0 HA PRO A 408 10.690 -5.965 -23.267 1.00 0.00 H new ATOM 0 HB2 PRO A 408 13.264 -7.012 -23.255 1.00 0.00 H new ATOM 0 HB3 PRO A 408 12.644 -6.175 -24.665 1.00 0.00 H new ATOM 0 HG2 PRO A 408 14.435 -5.132 -22.479 1.00 0.00 H new ATOM 0 HG3 PRO A 408 14.551 -4.882 -24.209 1.00 0.00 H new ATOM 0 HD2 PRO A 408 13.491 -2.990 -22.563 1.00 0.00 H new ATOM 0 HD3 PRO A 408 12.929 -3.188 -24.211 1.00 0.00 H new ATOM 656 N SER A 409 11.426 -7.594 -21.386 1.00 0.00 N ATOM 657 CA SER A 409 11.409 -8.325 -20.125 1.00 0.00 C ATOM 658 C SER A 409 12.767 -8.965 -19.850 1.00 0.00 C ATOM 659 O SER A 409 13.299 -9.702 -20.680 1.00 0.00 O ATOM 660 CB SER A 409 10.322 -9.401 -20.149 1.00 0.00 C ATOM 661 OG SER A 409 10.579 -10.364 -21.157 1.00 0.00 O ATOM 0 H SER A 409 11.262 -8.172 -22.210 1.00 0.00 H new ATOM 0 HA SER A 409 11.191 -7.616 -19.326 1.00 0.00 H new ATOM 0 HB2 SER A 409 10.271 -9.892 -19.177 1.00 0.00 H new ATOM 0 HB3 SER A 409 9.351 -8.938 -20.324 1.00 0.00 H new ATOM 0 HG SER A 409 11.538 -10.377 -21.360 1.00 0.00 H new ATOM 667 N SER A 410 13.323 -8.676 -18.677 1.00 0.00 N ATOM 668 CA SER A 410 14.620 -9.219 -18.292 1.00 0.00 C ATOM 669 C SER A 410 14.455 -10.518 -17.509 1.00 0.00 C ATOM 670 O SER A 410 15.139 -10.747 -16.512 1.00 0.00 O ATOM 671 CB SER A 410 15.395 -8.200 -17.454 1.00 0.00 C ATOM 672 OG SER A 410 15.830 -7.111 -18.249 1.00 0.00 O ATOM 0 H SER A 410 12.895 -8.069 -17.978 1.00 0.00 H new ATOM 0 HA SER A 410 15.181 -9.433 -19.202 1.00 0.00 H new ATOM 0 HB2 SER A 410 14.763 -7.834 -16.645 1.00 0.00 H new ATOM 0 HB3 SER A 410 16.256 -8.684 -16.992 1.00 0.00 H new ATOM 0 HG SER A 410 16.321 -6.473 -17.690 1.00 0.00 H new ATOM 678 N GLY A 411 13.540 -11.367 -17.968 1.00 0.00 N ATOM 679 CA GLY A 411 13.300 -12.632 -17.300 1.00 0.00 C ATOM 680 C GLY A 411 11.828 -12.990 -17.248 1.00 0.00 C ATOM 681 O GLY A 411 11.311 -13.366 -16.196 1.00 0.00 O ATOM 0 H GLY A 411 12.961 -11.201 -18.791 1.00 0.00 H new ATOM 0 HA2 GLY A 411 13.845 -13.422 -17.817 1.00 0.00 H new ATOM 0 HA3 GLY A 411 13.695 -12.584 -16.285 1.00 0.00 H new TER 685 GLY A 411 HETATM 686 ZN ZN A 201 -0.673 -4.547 -1.867 1.00 0.00 ZN