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 56:sc= 1.17 USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 120:sc= -0.837 USER MOD Single : A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 370 GLN : amide:sc= -1.62 K(o=-1.6,f=-0.59) USER MOD Single : A 375 LYS NZ :NH3+ 155:sc= -0.111 (180deg=-0.508) USER MOD Single : A 381 ASN : amide:sc= -0.223 K(o=-0.22,f=-3.3!) USER MOD Single : A 383 GLN : amide:sc= -0.948 K(o=-0.95,f=-0.0083) USER MOD Single : A 387 THR OG1 : rot 180:sc= 0 USER MOD Single : A 393 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-4.2!) USER MOD Single : A 394 MET CE :methyl 174:sc= 0 (180deg=-0.0332) 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 -117:sc= 0.033 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= 0 X(o=0,f=-0.079) 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 3.342 35.768 1.102 1.00 0.00 N ATOM 2 CA GLY A 363 3.184 34.731 2.105 1.00 0.00 C ATOM 3 C GLY A 363 3.955 33.471 1.763 1.00 0.00 C ATOM 4 O GLY A 363 3.692 32.831 0.745 1.00 0.00 O ATOM 0 HA2 GLY A 363 3.521 35.109 3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 363 2.126 34.489 2.209 1.00 0.00 H new ATOM 8 N SER A 364 4.911 33.115 2.615 1.00 0.00 N ATOM 9 CA SER A 364 5.727 31.927 2.396 1.00 0.00 C ATOM 10 C SER A 364 4.893 30.659 2.550 1.00 0.00 C ATOM 11 O SER A 364 4.826 30.074 3.631 1.00 0.00 O ATOM 12 CB SER A 364 6.902 31.901 3.376 1.00 0.00 C ATOM 13 OG SER A 364 6.451 31.732 4.708 1.00 0.00 O ATOM 0 H SER A 364 5.139 33.633 3.464 1.00 0.00 H new ATOM 0 HA SER A 364 6.114 31.965 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 364 7.581 31.090 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 364 7.468 32.829 3.295 1.00 0.00 H new ATOM 0 HG SER A 364 5.900 30.923 4.767 1.00 0.00 H new ATOM 19 N SER A 365 4.258 30.239 1.460 1.00 0.00 N ATOM 20 CA SER A 365 3.425 29.043 1.474 1.00 0.00 C ATOM 21 C SER A 365 4.216 27.824 1.008 1.00 0.00 C ATOM 22 O SER A 365 5.054 27.919 0.113 1.00 0.00 O ATOM 23 CB SER A 365 2.198 29.240 0.581 1.00 0.00 C ATOM 24 OG SER A 365 1.155 28.353 0.944 1.00 0.00 O ATOM 0 H SER A 365 4.305 30.710 0.556 1.00 0.00 H new ATOM 0 HA SER A 365 3.096 28.871 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 365 1.848 30.269 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 365 2.473 29.076 -0.461 1.00 0.00 H new ATOM 0 HG SER A 365 0.382 28.500 0.360 1.00 0.00 H new ATOM 30 N GLY A 366 3.943 26.678 1.625 1.00 0.00 N ATOM 31 CA GLY A 366 4.637 25.457 1.262 1.00 0.00 C ATOM 32 C GLY A 366 4.178 24.265 2.077 1.00 0.00 C ATOM 33 O GLY A 366 3.323 24.395 2.953 1.00 0.00 O ATOM 0 H GLY A 366 3.254 26.574 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 366 4.477 25.253 0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 366 5.709 25.597 1.401 1.00 0.00 H new ATOM 37 N SER A 367 4.745 23.098 1.788 1.00 0.00 N ATOM 38 CA SER A 367 4.385 21.876 2.498 1.00 0.00 C ATOM 39 C SER A 367 5.631 21.152 3.000 1.00 0.00 C ATOM 40 O SER A 367 6.439 20.665 2.210 1.00 0.00 O ATOM 41 CB SER A 367 3.576 20.951 1.586 1.00 0.00 C ATOM 42 OG SER A 367 3.372 19.687 2.194 1.00 0.00 O ATOM 0 H SER A 367 5.456 22.973 1.067 1.00 0.00 H new ATOM 0 HA SER A 367 3.775 22.151 3.358 1.00 0.00 H new ATOM 0 HB2 SER A 367 2.613 21.409 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.098 20.822 0.638 1.00 0.00 H new ATOM 0 HG SER A 367 2.411 19.523 2.294 1.00 0.00 H new ATOM 48 N SER A 368 5.778 21.086 4.319 1.00 0.00 N ATOM 49 CA SER A 368 6.926 20.425 4.928 1.00 0.00 C ATOM 50 C SER A 368 6.518 19.095 5.555 1.00 0.00 C ATOM 51 O SER A 368 5.931 19.059 6.635 1.00 0.00 O ATOM 52 CB SER A 368 7.558 21.328 5.989 1.00 0.00 C ATOM 53 OG SER A 368 8.850 20.868 6.346 1.00 0.00 O ATOM 0 H SER A 368 5.116 21.482 4.987 1.00 0.00 H new ATOM 0 HA SER A 368 7.658 20.229 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 368 7.623 22.348 5.611 1.00 0.00 H new ATOM 0 HB3 SER A 368 6.921 21.356 6.873 1.00 0.00 H new ATOM 0 HG SER A 368 9.233 21.463 7.024 1.00 0.00 H new ATOM 59 N GLY A 369 6.836 18.002 4.867 1.00 0.00 N ATOM 60 CA GLY A 369 6.495 16.684 5.370 1.00 0.00 C ATOM 61 C GLY A 369 5.812 15.823 4.326 1.00 0.00 C ATOM 62 O GLY A 369 6.431 14.933 3.745 1.00 0.00 O ATOM 0 H GLY A 369 7.323 18.006 3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 369 7.401 16.184 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 369 5.841 16.787 6.236 1.00 0.00 H new ATOM 66 N GLN A 370 4.531 16.089 4.089 1.00 0.00 N ATOM 67 CA GLN A 370 3.763 15.329 3.109 1.00 0.00 C ATOM 68 C GLN A 370 3.171 16.251 2.049 1.00 0.00 C ATOM 69 O GLN A 370 2.395 17.155 2.362 1.00 0.00 O ATOM 70 CB GLN A 370 2.647 14.545 3.802 1.00 0.00 C ATOM 71 CG GLN A 370 3.152 13.553 4.836 1.00 0.00 C ATOM 72 CD GLN A 370 4.328 12.737 4.337 1.00 0.00 C ATOM 73 OE1 GLN A 370 4.347 12.292 3.188 1.00 0.00 O ATOM 74 NE2 GLN A 370 5.318 12.535 5.198 1.00 0.00 N ATOM 0 H GLN A 370 4.004 16.824 4.561 1.00 0.00 H new ATOM 0 HA GLN A 370 4.439 14.628 2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 370 1.968 15.247 4.286 1.00 0.00 H new ATOM 0 HB3 GLN A 370 2.069 14.009 3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 370 3.445 14.091 5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 370 2.341 12.881 5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 370 5.261 12.922 6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 370 6.135 11.993 4.917 1.00 0.00 H new ATOM 83 N ASP A 371 3.541 16.017 0.795 1.00 0.00 N ATOM 84 CA ASP A 371 3.045 16.827 -0.312 1.00 0.00 C ATOM 85 C ASP A 371 2.886 15.983 -1.573 1.00 0.00 C ATOM 86 O ASP A 371 3.745 15.164 -1.898 1.00 0.00 O ATOM 87 CB ASP A 371 3.995 17.995 -0.583 1.00 0.00 C ATOM 88 CG ASP A 371 3.595 18.794 -1.808 1.00 0.00 C ATOM 89 OD1 ASP A 371 3.497 18.196 -2.900 1.00 0.00 O ATOM 90 OD2 ASP A 371 3.381 20.017 -1.674 1.00 0.00 O ATOM 0 H ASP A 371 4.182 15.273 0.519 1.00 0.00 H new ATOM 0 HA ASP A 371 2.068 17.221 -0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 371 4.015 18.653 0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 371 5.007 17.613 -0.716 1.00 0.00 H new ATOM 95 N GLY A 372 1.778 16.188 -2.280 1.00 0.00 N ATOM 96 CA GLY A 372 1.525 15.438 -3.497 1.00 0.00 C ATOM 97 C GLY A 372 0.388 14.448 -3.341 1.00 0.00 C ATOM 98 O GLY A 372 -0.755 14.836 -3.108 1.00 0.00 O ATOM 0 H GLY A 372 1.052 16.860 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 372 1.291 16.131 -4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 372 2.430 14.904 -3.786 1.00 0.00 H new ATOM 102 N GLY A 373 0.703 13.162 -3.472 1.00 0.00 N ATOM 103 CA GLY A 373 -0.312 12.133 -3.344 1.00 0.00 C ATOM 104 C GLY A 373 0.162 10.950 -2.525 1.00 0.00 C ATOM 105 O GLY A 373 1.193 10.349 -2.829 1.00 0.00 O ATOM 0 H GLY A 373 1.643 12.815 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 373 -1.201 12.560 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -0.604 11.790 -4.336 1.00 0.00 H new ATOM 109 N ARG A 374 -0.590 10.614 -1.482 1.00 0.00 N ATOM 110 CA ARG A 374 -0.238 9.496 -0.615 1.00 0.00 C ATOM 111 C ARG A 374 -0.323 8.173 -1.371 1.00 0.00 C ATOM 112 O ARG A 374 -1.412 7.688 -1.675 1.00 0.00 O ATOM 113 CB ARG A 374 -1.162 9.458 0.604 1.00 0.00 C ATOM 114 CG ARG A 374 -0.719 8.474 1.675 1.00 0.00 C ATOM 115 CD ARG A 374 -1.305 8.827 3.033 1.00 0.00 C ATOM 116 NE ARG A 374 -2.755 8.656 3.064 1.00 0.00 N ATOM 117 CZ ARG A 374 -3.452 8.492 4.183 1.00 0.00 C ATOM 118 NH1 ARG A 374 -2.834 8.477 5.356 1.00 0.00 N ATOM 119 NH2 ARG A 374 -4.769 8.343 4.130 1.00 0.00 N ATOM 0 H ARG A 374 -1.447 11.100 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 374 0.790 9.638 -0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 374 -1.216 10.456 1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 374 -2.169 9.198 0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 374 -1.028 7.467 1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 374 0.369 8.468 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 374 -0.849 8.199 3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 374 -1.056 9.860 3.278 1.00 0.00 H new ATOM 0 HE ARG A 374 -3.260 8.663 2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 374 -1.821 8.592 5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 374 -3.371 8.351 6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 374 -5.248 8.354 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 374 -5.303 8.217 4.990 1.00 0.00 H new ATOM 133 N LYS A 375 0.835 7.595 -1.672 1.00 0.00 N ATOM 134 CA LYS A 375 0.894 6.329 -2.393 1.00 0.00 C ATOM 135 C LYS A 375 0.419 5.179 -1.511 1.00 0.00 C ATOM 136 O LYS A 375 0.931 4.977 -0.409 1.00 0.00 O ATOM 137 CB LYS A 375 2.321 6.060 -2.876 1.00 0.00 C ATOM 138 CG LYS A 375 2.816 7.066 -3.901 1.00 0.00 C ATOM 139 CD LYS A 375 3.796 6.433 -4.875 1.00 0.00 C ATOM 140 CE LYS A 375 4.822 7.443 -5.368 1.00 0.00 C ATOM 141 NZ LYS A 375 5.721 7.901 -4.272 1.00 0.00 N ATOM 0 H LYS A 375 1.746 7.984 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 375 0.232 6.399 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 375 2.993 6.067 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 375 2.367 5.061 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 375 1.968 7.474 -4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 375 3.297 7.901 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 375 4.307 5.601 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 375 3.252 6.021 -5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 375 5.418 6.996 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 375 4.308 8.302 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 6.623 8.225 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 5.270 8.685 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 5.898 7.113 -3.616 1.00 0.00 H new ATOM 155 N ILE A 376 -0.560 4.427 -2.002 1.00 0.00 N ATOM 156 CA ILE A 376 -1.101 3.296 -1.259 1.00 0.00 C ATOM 157 C ILE A 376 -1.574 2.195 -2.202 1.00 0.00 C ATOM 158 O ILE A 376 -2.069 2.468 -3.296 1.00 0.00 O ATOM 159 CB ILE A 376 -2.274 3.724 -0.358 1.00 0.00 C ATOM 160 CG1 ILE A 376 -1.773 4.611 0.783 1.00 0.00 C ATOM 161 CG2 ILE A 376 -2.994 2.501 0.191 1.00 0.00 C ATOM 162 CD1 ILE A 376 -2.878 5.344 1.509 1.00 0.00 C ATOM 0 H ILE A 376 -0.995 4.581 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 376 -0.294 2.914 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 376 -2.981 4.299 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 376 -1.226 3.996 1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 376 -1.067 5.339 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 376 -3.821 2.820 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 376 -3.381 1.905 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 376 -2.297 1.901 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 376 -2.449 5.953 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 376 -3.411 5.986 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 376 -3.572 4.622 1.939 1.00 0.00 H new ATOM 174 N CYS A 377 -1.419 0.947 -1.770 1.00 0.00 N ATOM 175 CA CYS A 377 -1.831 -0.197 -2.574 1.00 0.00 C ATOM 176 C CYS A 377 -3.353 -0.295 -2.642 1.00 0.00 C ATOM 177 O CYS A 377 -4.034 -0.471 -1.631 1.00 0.00 O ATOM 178 CB CYS A 377 -1.251 -1.489 -1.994 1.00 0.00 C ATOM 179 SG CYS A 377 -1.136 -2.855 -3.193 1.00 0.00 S ATOM 0 H CYS A 377 -1.011 0.703 -0.868 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.448 -0.056 -3.585 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -0.257 -1.283 -1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -1.869 -1.807 -1.154 1.00 0.00 H new ATOM 184 N PRO A 378 -3.899 -0.178 -3.861 1.00 0.00 N ATOM 185 CA PRO A 378 -5.345 -0.251 -4.090 1.00 0.00 C ATOM 186 C PRO A 378 -5.897 -1.656 -3.870 1.00 0.00 C ATOM 187 O PRO A 378 -7.072 -1.919 -4.127 1.00 0.00 O ATOM 188 CB PRO A 378 -5.492 0.157 -5.558 1.00 0.00 C ATOM 189 CG PRO A 378 -4.182 -0.184 -6.179 1.00 0.00 C ATOM 190 CD PRO A 378 -3.148 0.033 -5.109 1.00 0.00 C ATOM 0 HA PRO A 378 -5.900 0.384 -3.399 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -6.310 -0.381 -6.038 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -5.710 1.221 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -4.172 -1.217 -6.527 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -3.985 0.447 -7.046 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -2.319 -0.669 -5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -2.724 1.036 -5.158 1.00 0.00 H new ATOM 198 N ARG A 379 -5.042 -2.554 -3.392 1.00 0.00 N ATOM 199 CA ARG A 379 -5.445 -3.932 -3.137 1.00 0.00 C ATOM 200 C ARG A 379 -5.523 -4.208 -1.639 1.00 0.00 C ATOM 201 O ARG A 379 -6.511 -4.755 -1.148 1.00 0.00 O ATOM 202 CB ARG A 379 -4.462 -4.902 -3.794 1.00 0.00 C ATOM 203 CG ARG A 379 -4.990 -6.324 -3.903 1.00 0.00 C ATOM 204 CD ARG A 379 -5.941 -6.476 -5.080 1.00 0.00 C ATOM 205 NE ARG A 379 -6.631 -7.763 -5.063 1.00 0.00 N ATOM 206 CZ ARG A 379 -7.157 -8.329 -6.144 1.00 0.00 C ATOM 207 NH1 ARG A 379 -7.071 -7.725 -7.321 1.00 0.00 N ATOM 208 NH2 ARG A 379 -7.769 -9.502 -6.048 1.00 0.00 N ATOM 0 H ARG A 379 -4.066 -2.352 -3.174 1.00 0.00 H new ATOM 0 HA ARG A 379 -6.435 -4.080 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -4.216 -4.537 -4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -3.535 -4.911 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -4.155 -7.016 -4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -5.504 -6.594 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -6.675 -5.671 -5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -5.384 -6.376 -6.012 1.00 0.00 H new ATOM 0 HE ARG A 379 -6.714 -8.254 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -6.600 -6.824 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -7.476 -8.162 -8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -7.836 -9.970 -5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -8.173 -9.936 -6.878 1.00 0.00 H new ATOM 222 N CYS A 380 -4.476 -3.825 -0.916 1.00 0.00 N ATOM 223 CA CYS A 380 -4.424 -4.031 0.526 1.00 0.00 C ATOM 224 C CYS A 380 -4.185 -2.713 1.256 1.00 0.00 C ATOM 225 O CYS A 380 -3.762 -2.699 2.411 1.00 0.00 O ATOM 226 CB CYS A 380 -3.321 -5.031 0.880 1.00 0.00 C ATOM 227 SG CYS A 380 -1.644 -4.478 0.430 1.00 0.00 S ATOM 0 H CYS A 380 -3.651 -3.370 -1.306 1.00 0.00 H new ATOM 0 HA CYS A 380 -5.386 -4.433 0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 380 -3.352 -5.226 1.952 1.00 0.00 H new ATOM 0 HB3 CYS A 380 -3.527 -5.976 0.378 1.00 0.00 H new ATOM 232 N ASN A 381 -4.459 -1.606 0.572 1.00 0.00 N ATOM 233 CA ASN A 381 -4.273 -0.282 1.155 1.00 0.00 C ATOM 234 C ASN A 381 -2.964 -0.210 1.934 1.00 0.00 C ATOM 235 O ASN A 381 -2.861 0.506 2.930 1.00 0.00 O ATOM 236 CB ASN A 381 -5.447 0.062 2.074 1.00 0.00 C ATOM 237 CG ASN A 381 -6.765 0.132 1.327 1.00 0.00 C ATOM 238 OD1 ASN A 381 -6.870 -0.319 0.187 1.00 0.00 O ATOM 239 ND2 ASN A 381 -7.779 0.701 1.970 1.00 0.00 N ATOM 0 H ASN A 381 -4.810 -1.600 -0.386 1.00 0.00 H new ATOM 0 HA ASN A 381 -4.231 0.444 0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 381 -5.519 -0.687 2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 381 -5.256 1.019 2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 381 -8.691 0.777 1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 381 -7.646 1.061 2.915 1.00 0.00 H new ATOM 246 N ALA A 382 -1.965 -0.955 1.473 1.00 0.00 N ATOM 247 CA ALA A 382 -0.661 -0.974 2.125 1.00 0.00 C ATOM 248 C ALA A 382 -0.158 0.442 2.387 1.00 0.00 C ATOM 249 O ALA A 382 -0.231 1.307 1.514 1.00 0.00 O ATOM 250 CB ALA A 382 0.341 -1.744 1.279 1.00 0.00 C ATOM 0 H ALA A 382 -2.034 -1.554 0.650 1.00 0.00 H new ATOM 0 HA ALA A 382 -0.770 -1.477 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 382 1.310 -1.750 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 382 -0.006 -2.769 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 382 0.438 -1.266 0.304 1.00 0.00 H new ATOM 256 N GLN A 383 0.351 0.671 3.593 1.00 0.00 N ATOM 257 CA GLN A 383 0.865 1.983 3.968 1.00 0.00 C ATOM 258 C GLN A 383 2.388 2.009 3.907 1.00 0.00 C ATOM 259 O GLN A 383 3.065 1.601 4.851 1.00 0.00 O ATOM 260 CB GLN A 383 0.393 2.355 5.375 1.00 0.00 C ATOM 261 CG GLN A 383 -0.926 3.110 5.394 1.00 0.00 C ATOM 262 CD GLN A 383 -0.740 4.613 5.324 1.00 0.00 C ATOM 263 OE1 GLN A 383 -0.497 5.268 6.337 1.00 0.00 O ATOM 264 NE2 GLN A 383 -0.854 5.168 4.123 1.00 0.00 N ATOM 0 H GLN A 383 0.419 -0.034 4.327 1.00 0.00 H new ATOM 0 HA GLN A 383 0.479 2.713 3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 383 0.290 1.446 5.967 1.00 0.00 H new ATOM 0 HB3 GLN A 383 1.158 2.964 5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 383 -1.539 2.784 4.553 1.00 0.00 H new ATOM 0 HG3 GLN A 383 -1.472 2.857 6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -1.056 4.587 3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -0.739 6.176 4.014 1.00 0.00 H new ATOM 273 N PHE A 384 2.922 2.491 2.789 1.00 0.00 N ATOM 274 CA PHE A 384 4.366 2.569 2.604 1.00 0.00 C ATOM 275 C PHE A 384 4.841 4.019 2.631 1.00 0.00 C ATOM 276 O PHE A 384 4.032 4.948 2.644 1.00 0.00 O ATOM 277 CB PHE A 384 4.768 1.914 1.280 1.00 0.00 C ATOM 278 CG PHE A 384 4.607 0.421 1.277 1.00 0.00 C ATOM 279 CD1 PHE A 384 5.462 -0.383 2.013 1.00 0.00 C ATOM 280 CD2 PHE A 384 3.600 -0.179 0.538 1.00 0.00 C ATOM 281 CE1 PHE A 384 5.317 -1.757 2.013 1.00 0.00 C ATOM 282 CE2 PHE A 384 3.449 -1.553 0.534 1.00 0.00 C ATOM 283 CZ PHE A 384 4.309 -2.343 1.272 1.00 0.00 C ATOM 0 H PHE A 384 2.376 2.833 1.998 1.00 0.00 H new ATOM 0 HA PHE A 384 4.841 2.034 3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 384 4.166 2.338 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 384 5.808 2.160 1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 384 6.252 0.070 2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 384 2.925 0.434 -0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 384 5.991 -2.372 2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 384 2.660 -2.008 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 384 4.194 -3.417 1.270 1.00 0.00 H new ATOM 293 N ARG A 385 6.156 4.205 2.640 1.00 0.00 N ATOM 294 CA ARG A 385 6.739 5.541 2.668 1.00 0.00 C ATOM 295 C ARG A 385 7.534 5.814 1.394 1.00 0.00 C ATOM 296 O ARG A 385 7.384 6.864 0.769 1.00 0.00 O ATOM 297 CB ARG A 385 7.644 5.701 3.891 1.00 0.00 C ATOM 298 CG ARG A 385 6.936 5.444 5.210 1.00 0.00 C ATOM 299 CD ARG A 385 5.947 6.551 5.537 1.00 0.00 C ATOM 300 NE ARG A 385 6.619 7.783 5.944 1.00 0.00 N ATOM 301 CZ ARG A 385 6.029 8.973 5.953 1.00 0.00 C ATOM 302 NH1 ARG A 385 4.762 9.092 5.580 1.00 0.00 N ATOM 303 NH2 ARG A 385 6.707 10.047 6.336 1.00 0.00 N ATOM 0 H ARG A 385 6.839 3.447 2.628 1.00 0.00 H new ATOM 0 HA ARG A 385 5.925 6.264 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 385 8.487 5.015 3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 385 8.054 6.711 3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 385 6.412 4.489 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 385 7.672 5.365 6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 385 5.323 6.749 4.665 1.00 0.00 H new ATOM 0 HD3 ARG A 385 5.283 6.220 6.335 1.00 0.00 H new ATOM 0 HE ARG A 385 7.594 7.726 6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 385 4.238 8.268 5.285 1.00 0.00 H new ATOM 0 HH12 ARG A 385 4.312 10.007 5.588 1.00 0.00 H new ATOM 0 HH21 ARG A 385 7.682 9.959 6.624 1.00 0.00 H new ATOM 0 HH22 ARG A 385 6.254 10.961 6.343 1.00 0.00 H new ATOM 317 N VAL A 386 8.381 4.862 1.016 1.00 0.00 N ATOM 318 CA VAL A 386 9.199 4.999 -0.183 1.00 0.00 C ATOM 319 C VAL A 386 8.491 4.418 -1.402 1.00 0.00 C ATOM 320 O VAL A 386 7.411 3.836 -1.288 1.00 0.00 O ATOM 321 CB VAL A 386 10.562 4.302 -0.015 1.00 0.00 C ATOM 322 CG1 VAL A 386 11.401 5.015 1.034 1.00 0.00 C ATOM 323 CG2 VAL A 386 10.370 2.837 0.350 1.00 0.00 C ATOM 0 H VAL A 386 8.519 3.988 1.523 1.00 0.00 H new ATOM 0 HA VAL A 386 9.361 6.066 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 386 11.094 4.350 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 386 12.360 4.508 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 386 11.568 6.047 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 386 10.877 5.001 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 386 11.343 2.360 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 386 9.818 2.765 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 386 9.811 2.335 -0.440 1.00 0.00 H new ATOM 333 N THR A 387 9.105 4.579 -2.570 1.00 0.00 N ATOM 334 CA THR A 387 8.534 4.072 -3.810 1.00 0.00 C ATOM 335 C THR A 387 8.971 2.634 -4.070 1.00 0.00 C ATOM 336 O THR A 387 8.295 1.890 -4.779 1.00 0.00 O ATOM 337 CB THR A 387 8.938 4.944 -5.014 1.00 0.00 C ATOM 338 OG1 THR A 387 8.437 4.370 -6.226 1.00 0.00 O ATOM 339 CG2 THR A 387 10.451 5.081 -5.099 1.00 0.00 C ATOM 0 H THR A 387 9.999 5.057 -2.682 1.00 0.00 H new ATOM 0 HA THR A 387 7.451 4.105 -3.694 1.00 0.00 H new ATOM 0 HB THR A 387 8.506 5.935 -4.877 1.00 0.00 H new ATOM 0 HG1 THR A 387 8.697 4.932 -6.986 1.00 0.00 H new ATOM 0 HG21 THR A 387 10.713 5.701 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 387 10.826 5.546 -4.187 1.00 0.00 H new ATOM 0 HG23 THR A 387 10.900 4.094 -5.214 1.00 0.00 H new ATOM 347 N GLU A 388 10.104 2.252 -3.490 1.00 0.00 N ATOM 348 CA GLU A 388 10.630 0.902 -3.659 1.00 0.00 C ATOM 349 C GLU A 388 9.692 -0.129 -3.039 1.00 0.00 C ATOM 350 O GLU A 388 9.317 -1.109 -3.683 1.00 0.00 O ATOM 351 CB GLU A 388 12.019 0.790 -3.028 1.00 0.00 C ATOM 352 CG GLU A 388 12.808 -0.419 -3.504 1.00 0.00 C ATOM 353 CD GLU A 388 13.616 -0.133 -4.755 1.00 0.00 C ATOM 354 OE1 GLU A 388 13.208 0.756 -5.533 1.00 0.00 O ATOM 355 OE2 GLU A 388 14.654 -0.796 -4.956 1.00 0.00 O ATOM 0 H GLU A 388 10.675 2.857 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 388 10.707 0.700 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 388 12.585 1.694 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 388 11.914 0.741 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 388 13.479 -0.746 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 388 12.121 -1.242 -3.700 1.00 0.00 H new ATOM 362 N ALA A 389 9.319 0.098 -1.784 1.00 0.00 N ATOM 363 CA ALA A 389 8.425 -0.810 -1.076 1.00 0.00 C ATOM 364 C ALA A 389 7.239 -1.203 -1.950 1.00 0.00 C ATOM 365 O ALA A 389 6.968 -2.388 -2.151 1.00 0.00 O ATOM 366 CB ALA A 389 7.941 -0.172 0.218 1.00 0.00 C ATOM 0 H ALA A 389 9.622 0.903 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 389 8.982 -1.715 -0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 389 7.274 -0.861 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 389 8.796 0.053 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 389 7.405 0.750 -0.009 1.00 0.00 H new ATOM 372 N LEU A 390 6.533 -0.204 -2.467 1.00 0.00 N ATOM 373 CA LEU A 390 5.374 -0.446 -3.319 1.00 0.00 C ATOM 374 C LEU A 390 5.764 -1.255 -4.552 1.00 0.00 C ATOM 375 O LEU A 390 5.208 -2.322 -4.808 1.00 0.00 O ATOM 376 CB LEU A 390 4.743 0.881 -3.745 1.00 0.00 C ATOM 377 CG LEU A 390 3.835 1.553 -2.715 1.00 0.00 C ATOM 378 CD1 LEU A 390 3.495 2.971 -3.147 1.00 0.00 C ATOM 379 CD2 LEU A 390 2.566 0.738 -2.511 1.00 0.00 C ATOM 0 H LEU A 390 6.743 0.782 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 390 4.646 -1.020 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 390 5.543 1.575 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 390 4.165 0.711 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 390 4.369 1.602 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 390 2.848 3.433 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 390 4.412 3.552 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 390 2.981 2.945 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 390 1.931 1.231 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 390 2.030 0.657 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 390 2.827 -0.259 -2.156 1.00 0.00 H new ATOM 391 N ARG A 391 6.726 -0.740 -5.312 1.00 0.00 N ATOM 392 CA ARG A 391 7.192 -1.415 -6.517 1.00 0.00 C ATOM 393 C ARG A 391 7.173 -2.930 -6.334 1.00 0.00 C ATOM 394 O ARG A 391 6.432 -3.638 -7.014 1.00 0.00 O ATOM 395 CB ARG A 391 8.605 -0.951 -6.873 1.00 0.00 C ATOM 396 CG ARG A 391 8.928 -1.064 -8.354 1.00 0.00 C ATOM 397 CD ARG A 391 9.249 -2.497 -8.747 1.00 0.00 C ATOM 398 NE ARG A 391 10.372 -3.036 -7.983 1.00 0.00 N ATOM 399 CZ ARG A 391 10.968 -4.188 -8.267 1.00 0.00 C ATOM 400 NH1 ARG A 391 10.551 -4.919 -9.292 1.00 0.00 N ATOM 401 NH2 ARG A 391 11.984 -4.612 -7.526 1.00 0.00 N ATOM 0 H ARG A 391 7.197 0.143 -5.114 1.00 0.00 H new ATOM 0 HA ARG A 391 6.516 -1.157 -7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 391 8.727 0.086 -6.561 1.00 0.00 H new ATOM 0 HB3 ARG A 391 9.326 -1.541 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 391 8.082 -0.706 -8.940 1.00 0.00 H new ATOM 0 HG3 ARG A 391 9.776 -0.422 -8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 391 8.370 -3.122 -8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 391 9.482 -2.538 -9.811 1.00 0.00 H new ATOM 0 HE ARG A 391 10.717 -2.498 -7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 391 9.771 -4.597 -9.864 1.00 0.00 H new ATOM 0 HH12 ARG A 391 11.011 -5.804 -9.508 1.00 0.00 H new ATOM 0 HH21 ARG A 391 12.308 -4.053 -6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 391 12.441 -5.497 -7.745 1.00 0.00 H new ATOM 415 N GLY A 392 7.993 -3.419 -5.409 1.00 0.00 N ATOM 416 CA GLY A 392 8.056 -4.846 -5.153 1.00 0.00 C ATOM 417 C GLY A 392 6.780 -5.380 -4.532 1.00 0.00 C ATOM 418 O GLY A 392 6.184 -6.331 -5.039 1.00 0.00 O ATOM 0 H GLY A 392 8.615 -2.852 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 392 8.249 -5.372 -6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 392 8.895 -5.056 -4.490 1.00 0.00 H new ATOM 422 N HIS A 393 6.360 -4.769 -3.429 1.00 0.00 N ATOM 423 CA HIS A 393 5.147 -5.190 -2.736 1.00 0.00 C ATOM 424 C HIS A 393 4.023 -5.469 -3.730 1.00 0.00 C ATOM 425 O HIS A 393 3.559 -6.602 -3.854 1.00 0.00 O ATOM 426 CB HIS A 393 4.706 -4.118 -1.738 1.00 0.00 C ATOM 427 CG HIS A 393 3.256 -4.200 -1.374 1.00 0.00 C ATOM 428 ND1 HIS A 393 2.764 -5.086 -0.439 1.00 0.00 N ATOM 429 CD2 HIS A 393 2.190 -3.497 -1.822 1.00 0.00 C ATOM 430 CE1 HIS A 393 1.457 -4.926 -0.330 1.00 0.00 C ATOM 431 NE2 HIS A 393 1.083 -3.968 -1.159 1.00 0.00 N ATOM 0 H HIS A 393 6.841 -3.981 -2.996 1.00 0.00 H new ATOM 0 HA HIS A 393 5.368 -6.110 -2.195 1.00 0.00 H new ATOM 0 HB2 HIS A 393 5.305 -4.208 -0.832 1.00 0.00 H new ATOM 0 HB3 HIS A 393 4.911 -3.134 -2.160 1.00 0.00 H new ATOM 0 HD2 HIS A 393 2.207 -2.712 -2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 393 0.805 -5.484 0.326 1.00 0.00 H new ATOM 0 HE2 HIS A 393 0.128 -3.633 -1.286 1.00 0.00 H new ATOM 439 N MET A 394 3.590 -4.428 -4.434 1.00 0.00 N ATOM 440 CA MET A 394 2.521 -4.562 -5.417 1.00 0.00 C ATOM 441 C MET A 394 2.834 -5.676 -6.411 1.00 0.00 C ATOM 442 O MET A 394 2.001 -6.549 -6.661 1.00 0.00 O ATOM 443 CB MET A 394 2.315 -3.241 -6.161 1.00 0.00 C ATOM 444 CG MET A 394 1.939 -2.083 -5.251 1.00 0.00 C ATOM 445 SD MET A 394 2.024 -0.488 -6.086 1.00 0.00 S ATOM 446 CE MET A 394 0.621 -0.610 -7.193 1.00 0.00 C ATOM 0 H MET A 394 3.963 -3.483 -4.342 1.00 0.00 H new ATOM 0 HA MET A 394 1.604 -4.819 -4.887 1.00 0.00 H new ATOM 0 HB2 MET A 394 3.230 -2.989 -6.697 1.00 0.00 H new ATOM 0 HB3 MET A 394 1.533 -3.373 -6.909 1.00 0.00 H new ATOM 0 HG2 MET A 394 0.929 -2.237 -4.872 1.00 0.00 H new ATOM 0 HG3 MET A 394 2.605 -2.073 -4.388 1.00 0.00 H new ATOM 0 HE1 MET A 394 0.476 0.342 -7.703 1.00 0.00 H new ATOM 0 HE2 MET A 394 0.806 -1.392 -7.930 1.00 0.00 H new ATOM 0 HE3 MET A 394 -0.274 -0.855 -6.621 1.00 0.00 H new ATOM 456 N CYS A 395 4.036 -5.640 -6.975 1.00 0.00 N ATOM 457 CA CYS A 395 4.457 -6.646 -7.943 1.00 0.00 C ATOM 458 C CYS A 395 3.926 -8.024 -7.561 1.00 0.00 C ATOM 459 O CYS A 395 3.244 -8.679 -8.350 1.00 0.00 O ATOM 460 CB CYS A 395 5.983 -6.684 -8.040 1.00 0.00 C ATOM 461 SG CYS A 395 6.607 -7.405 -9.576 1.00 0.00 S ATOM 0 H CYS A 395 4.736 -4.925 -6.779 1.00 0.00 H new ATOM 0 HA CYS A 395 4.045 -6.374 -8.915 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.368 -5.669 -7.945 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.376 -7.254 -7.198 1.00 0.00 H new ATOM 0 HG CYS A 395 7.907 -7.391 -9.565 1.00 0.00 H new ATOM 467 N TYR A 396 4.244 -8.459 -6.347 1.00 0.00 N ATOM 468 CA TYR A 396 3.802 -9.761 -5.861 1.00 0.00 C ATOM 469 C TYR A 396 2.350 -9.706 -5.398 1.00 0.00 C ATOM 470 O TYR A 396 1.512 -10.490 -5.845 1.00 0.00 O ATOM 471 CB TYR A 396 4.698 -10.231 -4.714 1.00 0.00 C ATOM 472 CG TYR A 396 6.092 -10.619 -5.153 1.00 0.00 C ATOM 473 CD1 TYR A 396 7.053 -9.651 -5.416 1.00 0.00 C ATOM 474 CD2 TYR A 396 6.448 -11.953 -5.304 1.00 0.00 C ATOM 475 CE1 TYR A 396 8.327 -10.000 -5.819 1.00 0.00 C ATOM 476 CE2 TYR A 396 7.720 -12.312 -5.705 1.00 0.00 C ATOM 477 CZ TYR A 396 8.656 -11.332 -5.961 1.00 0.00 C ATOM 478 OH TYR A 396 9.925 -11.684 -6.361 1.00 0.00 O ATOM 0 H TYR A 396 4.806 -7.929 -5.681 1.00 0.00 H new ATOM 0 HA TYR A 396 3.874 -10.472 -6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 396 4.768 -9.437 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 396 4.229 -11.085 -4.225 1.00 0.00 H new ATOM 0 HD1 TYR A 396 6.799 -8.607 -5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 396 5.717 -12.723 -5.104 1.00 0.00 H new ATOM 0 HE1 TYR A 396 9.061 -9.235 -6.022 1.00 0.00 H new ATOM 0 HE2 TYR A 396 7.980 -13.354 -5.817 1.00 0.00 H new ATOM 0 HH TYR A 396 9.993 -12.660 -6.411 1.00 0.00 H new ATOM 488 N CYS A 397 2.058 -8.772 -4.498 1.00 0.00 N ATOM 489 CA CYS A 397 0.707 -8.612 -3.972 1.00 0.00 C ATOM 490 C CYS A 397 -0.322 -8.643 -5.098 1.00 0.00 C ATOM 491 O CYS A 397 -1.100 -9.591 -5.216 1.00 0.00 O ATOM 492 CB CYS A 397 0.592 -7.297 -3.198 1.00 0.00 C ATOM 493 SG CYS A 397 -1.116 -6.837 -2.765 1.00 0.00 S ATOM 0 H CYS A 397 2.739 -8.115 -4.118 1.00 0.00 H new ATOM 0 HA CYS A 397 0.506 -9.443 -3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 397 1.179 -7.374 -2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 397 1.033 -6.497 -3.794 1.00 0.00 H new ATOM 498 N CYS A 398 -0.320 -7.602 -5.923 1.00 0.00 N ATOM 499 CA CYS A 398 -1.254 -7.509 -7.040 1.00 0.00 C ATOM 500 C CYS A 398 -0.517 -7.211 -8.341 1.00 0.00 C ATOM 501 O CYS A 398 -0.393 -6.061 -8.764 1.00 0.00 O ATOM 502 CB CYS A 398 -2.298 -6.424 -6.770 1.00 0.00 C ATOM 503 SG CYS A 398 -3.560 -6.278 -8.056 1.00 0.00 S ATOM 0 H CYS A 398 0.318 -6.810 -5.840 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.758 -8.470 -7.141 1.00 0.00 H new ATOM 0 HB2 CYS A 398 -2.787 -6.634 -5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 398 -1.791 -5.465 -6.663 1.00 0.00 H new ATOM 0 HG CYS A 398 -3.481 -5.105 -8.611 1.00 0.00 H new ATOM 509 N PRO A 399 -0.015 -8.270 -8.993 1.00 0.00 N ATOM 510 CA PRO A 399 0.720 -8.148 -10.256 1.00 0.00 C ATOM 511 C PRO A 399 -0.184 -7.740 -11.415 1.00 0.00 C ATOM 512 O PRO A 399 0.287 -7.507 -12.527 1.00 0.00 O ATOM 513 CB PRO A 399 1.275 -9.556 -10.481 1.00 0.00 C ATOM 514 CG PRO A 399 0.344 -10.454 -9.742 1.00 0.00 C ATOM 515 CD PRO A 399 -0.126 -9.670 -8.548 1.00 0.00 C ATOM 0 HA PRO A 399 1.487 -7.375 -10.208 1.00 0.00 H new ATOM 0 HB2 PRO A 399 1.306 -9.804 -11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 399 2.294 -9.645 -10.103 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -0.496 -10.748 -10.371 1.00 0.00 H new ATOM 0 HG3 PRO A 399 0.848 -11.370 -9.434 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -1.151 -9.926 -8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 399 0.493 -9.863 -7.672 1.00 0.00 H new ATOM 523 N GLU A 400 -1.483 -7.654 -11.145 1.00 0.00 N ATOM 524 CA GLU A 400 -2.451 -7.274 -12.167 1.00 0.00 C ATOM 525 C GLU A 400 -2.156 -5.876 -12.703 1.00 0.00 C ATOM 526 O GLU A 400 -1.896 -5.698 -13.893 1.00 0.00 O ATOM 527 CB GLU A 400 -3.871 -7.325 -11.599 1.00 0.00 C ATOM 528 CG GLU A 400 -4.945 -7.490 -12.661 1.00 0.00 C ATOM 529 CD GLU A 400 -5.141 -6.237 -13.493 1.00 0.00 C ATOM 530 OE1 GLU A 400 -4.865 -5.134 -12.976 1.00 0.00 O ATOM 531 OE2 GLU A 400 -5.571 -6.360 -14.658 1.00 0.00 O ATOM 0 H GLU A 400 -1.889 -7.842 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.370 -7.984 -12.990 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.941 -8.151 -10.892 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.063 -6.409 -11.039 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.678 -8.319 -13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.887 -7.754 -12.181 1.00 0.00 H new ATOM 538 N MET A 401 -2.198 -4.887 -11.816 1.00 0.00 N ATOM 539 CA MET A 401 -1.934 -3.505 -12.199 1.00 0.00 C ATOM 540 C MET A 401 -0.450 -3.292 -12.479 1.00 0.00 C ATOM 541 O MET A 401 -0.078 -2.692 -13.487 1.00 0.00 O ATOM 542 CB MET A 401 -2.400 -2.550 -11.099 1.00 0.00 C ATOM 543 CG MET A 401 -3.912 -2.466 -10.967 1.00 0.00 C ATOM 544 SD MET A 401 -4.633 -3.965 -10.271 1.00 0.00 S ATOM 545 CE MET A 401 -6.380 -3.596 -10.410 1.00 0.00 C ATOM 0 H MET A 401 -2.412 -5.017 -10.827 1.00 0.00 H new ATOM 0 HA MET A 401 -2.491 -3.295 -13.112 1.00 0.00 H new ATOM 0 HB2 MET A 401 -1.978 -2.872 -10.147 1.00 0.00 H new ATOM 0 HB3 MET A 401 -2.005 -1.554 -11.302 1.00 0.00 H new ATOM 0 HG2 MET A 401 -4.171 -1.616 -10.336 1.00 0.00 H new ATOM 0 HG3 MET A 401 -4.349 -2.279 -11.948 1.00 0.00 H new ATOM 0 HE1 MET A 401 -6.961 -4.432 -10.019 1.00 0.00 H new ATOM 0 HE2 MET A 401 -6.608 -2.696 -9.838 1.00 0.00 H new ATOM 0 HE3 MET A 401 -6.636 -3.435 -11.457 1.00 0.00 H new ATOM 555 N VAL A 402 0.394 -3.788 -11.580 1.00 0.00 N ATOM 556 CA VAL A 402 1.838 -3.652 -11.731 1.00 0.00 C ATOM 557 C VAL A 402 2.263 -3.880 -13.177 1.00 0.00 C ATOM 558 O VAL A 402 1.966 -4.919 -13.765 1.00 0.00 O ATOM 559 CB VAL A 402 2.592 -4.642 -10.823 1.00 0.00 C ATOM 560 CG1 VAL A 402 4.095 -4.512 -11.024 1.00 0.00 C ATOM 561 CG2 VAL A 402 2.220 -4.418 -9.366 1.00 0.00 C ATOM 0 H VAL A 402 0.103 -4.288 -10.740 1.00 0.00 H new ATOM 0 HA VAL A 402 2.093 -2.634 -11.437 1.00 0.00 H new ATOM 0 HB VAL A 402 2.299 -5.655 -11.097 1.00 0.00 H new ATOM 0 HG11 VAL A 402 4.611 -5.219 -10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 402 4.343 -4.726 -12.064 1.00 0.00 H new ATOM 0 HG13 VAL A 402 4.409 -3.497 -10.778 1.00 0.00 H new ATOM 0 HG21 VAL A 402 2.762 -5.126 -8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 402 2.483 -3.401 -9.076 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.148 -4.566 -9.237 1.00 0.00 H new ATOM 571 N GLU A 403 2.962 -2.902 -13.744 1.00 0.00 N ATOM 572 CA GLU A 403 3.428 -2.996 -15.122 1.00 0.00 C ATOM 573 C GLU A 403 4.292 -4.238 -15.321 1.00 0.00 C ATOM 574 O GLU A 403 5.447 -4.278 -14.895 1.00 0.00 O ATOM 575 CB GLU A 403 4.220 -1.744 -15.503 1.00 0.00 C ATOM 576 CG GLU A 403 4.171 -1.420 -16.987 1.00 0.00 C ATOM 577 CD GLU A 403 4.598 -2.589 -17.853 1.00 0.00 C ATOM 578 OE1 GLU A 403 5.814 -2.869 -17.917 1.00 0.00 O ATOM 579 OE2 GLU A 403 3.716 -3.225 -18.467 1.00 0.00 O ATOM 0 H GLU A 403 3.218 -2.036 -13.270 1.00 0.00 H new ATOM 0 HA GLU A 403 2.554 -3.075 -15.769 1.00 0.00 H new ATOM 0 HB2 GLU A 403 3.832 -0.894 -14.941 1.00 0.00 H new ATOM 0 HB3 GLU A 403 5.259 -1.877 -15.203 1.00 0.00 H new ATOM 0 HG2 GLU A 403 3.157 -1.124 -17.257 1.00 0.00 H new ATOM 0 HG3 GLU A 403 4.818 -0.566 -17.190 1.00 0.00 H new ATOM 586 N TYR A 404 3.725 -5.249 -15.968 1.00 0.00 N ATOM 587 CA TYR A 404 4.441 -6.494 -16.221 1.00 0.00 C ATOM 588 C TYR A 404 3.954 -7.152 -17.508 1.00 0.00 C ATOM 589 O TYR A 404 2.751 -7.236 -17.757 1.00 0.00 O ATOM 590 CB TYR A 404 4.265 -7.456 -15.044 1.00 0.00 C ATOM 591 CG TYR A 404 5.325 -8.531 -14.978 1.00 0.00 C ATOM 592 CD1 TYR A 404 6.675 -8.206 -14.995 1.00 0.00 C ATOM 593 CD2 TYR A 404 4.976 -9.874 -14.897 1.00 0.00 C ATOM 594 CE1 TYR A 404 7.647 -9.186 -14.935 1.00 0.00 C ATOM 595 CE2 TYR A 404 5.941 -10.861 -14.835 1.00 0.00 C ATOM 596 CZ TYR A 404 7.275 -10.511 -14.855 1.00 0.00 C ATOM 597 OH TYR A 404 8.240 -11.490 -14.794 1.00 0.00 O ATOM 0 H TYR A 404 2.771 -5.231 -16.327 1.00 0.00 H new ATOM 0 HA TYR A 404 5.499 -6.258 -16.334 1.00 0.00 H new ATOM 0 HB2 TYR A 404 4.279 -6.886 -14.115 1.00 0.00 H new ATOM 0 HB3 TYR A 404 3.285 -7.928 -15.114 1.00 0.00 H new ATOM 0 HD1 TYR A 404 6.970 -7.169 -15.056 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.932 -10.151 -14.882 1.00 0.00 H new ATOM 0 HE1 TYR A 404 8.692 -8.916 -14.951 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.653 -11.900 -14.771 1.00 0.00 H new ATOM 0 HH TYR A 404 7.811 -12.369 -14.740 1.00 0.00 H new ATOM 607 N GLN A 405 4.897 -7.617 -18.321 1.00 0.00 N ATOM 608 CA GLN A 405 4.564 -8.267 -19.583 1.00 0.00 C ATOM 609 C GLN A 405 5.141 -9.678 -19.637 1.00 0.00 C ATOM 610 O GLN A 405 6.323 -9.886 -19.363 1.00 0.00 O ATOM 611 CB GLN A 405 5.089 -7.443 -20.760 1.00 0.00 C ATOM 612 CG GLN A 405 4.489 -7.843 -22.098 1.00 0.00 C ATOM 613 CD GLN A 405 4.709 -6.796 -23.172 1.00 0.00 C ATOM 614 OE1 GLN A 405 5.778 -6.190 -23.255 1.00 0.00 O ATOM 615 NE2 GLN A 405 3.697 -6.578 -24.003 1.00 0.00 N ATOM 0 H GLN A 405 5.897 -7.556 -18.129 1.00 0.00 H new ATOM 0 HA GLN A 405 3.478 -8.335 -19.652 1.00 0.00 H new ATOM 0 HB2 GLN A 405 4.879 -6.389 -20.577 1.00 0.00 H new ATOM 0 HB3 GLN A 405 6.173 -7.548 -20.811 1.00 0.00 H new ATOM 0 HG2 GLN A 405 4.928 -8.787 -22.421 1.00 0.00 H new ATOM 0 HG3 GLN A 405 3.419 -8.014 -21.976 1.00 0.00 H new ATOM 0 HE21 GLN A 405 2.829 -7.103 -23.898 1.00 0.00 H new ATOM 0 HE22 GLN A 405 3.788 -5.886 -24.746 1.00 0.00 H new ATOM 624 N SER A 406 4.299 -10.643 -19.991 1.00 0.00 N ATOM 625 CA SER A 406 4.725 -12.035 -20.077 1.00 0.00 C ATOM 626 C SER A 406 4.682 -12.529 -21.520 1.00 0.00 C ATOM 627 O SER A 406 4.061 -11.908 -22.382 1.00 0.00 O ATOM 628 CB SER A 406 3.837 -12.917 -19.197 1.00 0.00 C ATOM 629 OG SER A 406 2.481 -12.838 -19.600 1.00 0.00 O ATOM 0 H SER A 406 3.318 -10.487 -20.223 1.00 0.00 H new ATOM 0 HA SER A 406 5.753 -12.097 -19.721 1.00 0.00 H new ATOM 0 HB2 SER A 406 4.177 -13.951 -19.253 1.00 0.00 H new ATOM 0 HB3 SER A 406 3.929 -12.607 -18.156 1.00 0.00 H new ATOM 0 HG SER A 406 1.934 -13.412 -19.023 1.00 0.00 H new ATOM 635 N GLY A 407 5.346 -13.652 -21.775 1.00 0.00 N ATOM 636 CA GLY A 407 5.371 -14.211 -23.114 1.00 0.00 C ATOM 637 C GLY A 407 6.083 -13.311 -24.105 1.00 0.00 C ATOM 638 O GLY A 407 6.440 -12.174 -23.797 1.00 0.00 O ATOM 0 H GLY A 407 5.867 -14.185 -21.078 1.00 0.00 H new ATOM 0 HA2 GLY A 407 5.865 -15.182 -23.090 1.00 0.00 H new ATOM 0 HA3 GLY A 407 4.349 -14.382 -23.452 1.00 0.00 H new ATOM 642 N PRO A 408 6.300 -13.823 -25.326 1.00 0.00 N ATOM 643 CA PRO A 408 5.879 -15.175 -25.703 1.00 0.00 C ATOM 644 C PRO A 408 6.695 -16.254 -24.999 1.00 0.00 C ATOM 645 O PRO A 408 6.319 -17.426 -24.994 1.00 0.00 O ATOM 646 CB PRO A 408 6.129 -15.216 -27.213 1.00 0.00 C ATOM 647 CG PRO A 408 7.199 -14.206 -27.447 1.00 0.00 C ATOM 648 CD PRO A 408 6.973 -13.120 -26.431 1.00 0.00 C ATOM 0 HA PRO A 408 4.844 -15.373 -25.422 1.00 0.00 H new ATOM 0 HB2 PRO A 408 6.444 -16.208 -27.535 1.00 0.00 H new ATOM 0 HB3 PRO A 408 5.225 -14.972 -27.771 1.00 0.00 H new ATOM 0 HG2 PRO A 408 8.187 -14.650 -27.330 1.00 0.00 H new ATOM 0 HG3 PRO A 408 7.146 -13.809 -28.461 1.00 0.00 H new ATOM 0 HD2 PRO A 408 7.912 -12.670 -26.108 1.00 0.00 H new ATOM 0 HD3 PRO A 408 6.355 -12.317 -26.832 1.00 0.00 H new ATOM 656 N SER A 409 7.813 -15.850 -24.404 1.00 0.00 N ATOM 657 CA SER A 409 8.684 -16.783 -23.699 1.00 0.00 C ATOM 658 C SER A 409 8.148 -17.077 -22.302 1.00 0.00 C ATOM 659 O SER A 409 7.664 -18.176 -22.029 1.00 0.00 O ATOM 660 CB SER A 409 10.103 -16.217 -23.605 1.00 0.00 C ATOM 661 OG SER A 409 10.675 -16.057 -24.891 1.00 0.00 O ATOM 0 H SER A 409 8.137 -14.883 -24.396 1.00 0.00 H new ATOM 0 HA SER A 409 8.709 -17.715 -24.263 1.00 0.00 H new ATOM 0 HB2 SER A 409 10.081 -15.256 -23.091 1.00 0.00 H new ATOM 0 HB3 SER A 409 10.725 -16.884 -23.007 1.00 0.00 H new ATOM 0 HG SER A 409 11.580 -15.693 -24.803 1.00 0.00 H new ATOM 667 N SER A 410 8.237 -16.086 -21.420 1.00 0.00 N ATOM 668 CA SER A 410 7.765 -16.239 -20.049 1.00 0.00 C ATOM 669 C SER A 410 6.270 -16.545 -20.020 1.00 0.00 C ATOM 670 O SER A 410 5.504 -16.030 -20.832 1.00 0.00 O ATOM 671 CB SER A 410 8.052 -14.970 -19.244 1.00 0.00 C ATOM 672 OG SER A 410 9.403 -14.568 -19.391 1.00 0.00 O ATOM 0 H SER A 410 8.631 -15.169 -21.631 1.00 0.00 H new ATOM 0 HA SER A 410 8.299 -17.076 -19.598 1.00 0.00 H new ATOM 0 HB2 SER A 410 7.392 -14.168 -19.576 1.00 0.00 H new ATOM 0 HB3 SER A 410 7.834 -15.147 -18.191 1.00 0.00 H new ATOM 0 HG SER A 410 9.561 -13.754 -18.869 1.00 0.00 H new ATOM 678 N GLY A 411 5.864 -17.390 -19.077 1.00 0.00 N ATOM 679 CA GLY A 411 4.463 -17.751 -18.959 1.00 0.00 C ATOM 680 C GLY A 411 3.826 -18.050 -20.301 1.00 0.00 C ATOM 681 O GLY A 411 2.835 -18.776 -20.378 1.00 0.00 O ATOM 0 H GLY A 411 6.480 -17.831 -18.393 1.00 0.00 H new ATOM 0 HA2 GLY A 411 4.369 -18.624 -18.313 1.00 0.00 H new ATOM 0 HA3 GLY A 411 3.921 -16.938 -18.476 1.00 0.00 H new TER 685 GLY A 411 HETATM 686 ZN ZN A 201 -1.070 -4.723 -1.804 1.00 0.00 ZN