USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=12 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 8:sc= 0.333 USER MOD Single : A 370 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 383 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 387 THR OG1 : rot 180:sc= 0 USER MOD Single : A 393 HIS : no HD1:sc= -0.729 K(o=-0.73,f=-3.4!) USER MOD Single : A 394 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 395 CYS SG : rot 84:sc= 0.0668 USER MOD Single : A 396 TYR OH : rot 180:sc= 0 USER MOD Single : A 398 CYS SG : rot 180:sc= 0.39 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= -0.839 K(o=-0.84,f=-4!) USER MOD Single : A 406 SER OG : rot 48:sc= 0.39 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 -2.954 33.406 -11.089 1.00 0.00 N ATOM 2 CA GLY A 363 -4.292 33.184 -11.606 1.00 0.00 C ATOM 3 C GLY A 363 -4.960 31.975 -10.984 1.00 0.00 C ATOM 4 O GLY A 363 -6.114 32.044 -10.560 1.00 0.00 O ATOM 0 HA2 GLY A 363 -4.902 34.068 -11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -4.243 33.052 -12.687 1.00 0.00 H new ATOM 8 N SER A 364 -4.235 30.862 -10.930 1.00 0.00 N ATOM 9 CA SER A 364 -4.768 29.630 -10.360 1.00 0.00 C ATOM 10 C SER A 364 -3.821 29.066 -9.304 1.00 0.00 C ATOM 11 O SER A 364 -2.650 29.440 -9.242 1.00 0.00 O ATOM 12 CB SER A 364 -4.999 28.593 -11.460 1.00 0.00 C ATOM 13 OG SER A 364 -5.784 27.512 -10.986 1.00 0.00 O ATOM 0 H SER A 364 -3.278 30.788 -11.274 1.00 0.00 H new ATOM 0 HA SER A 364 -5.720 29.861 -9.883 1.00 0.00 H new ATOM 0 HB2 SER A 364 -5.496 29.063 -12.308 1.00 0.00 H new ATOM 0 HB3 SER A 364 -4.040 28.220 -11.819 1.00 0.00 H new ATOM 0 HG SER A 364 -5.919 26.864 -11.709 1.00 0.00 H new ATOM 19 N SER A 365 -4.338 28.164 -8.477 1.00 0.00 N ATOM 20 CA SER A 365 -3.541 27.550 -7.421 1.00 0.00 C ATOM 21 C SER A 365 -3.600 26.028 -7.510 1.00 0.00 C ATOM 22 O SER A 365 -4.525 25.400 -6.998 1.00 0.00 O ATOM 23 CB SER A 365 -4.033 28.011 -6.048 1.00 0.00 C ATOM 24 OG SER A 365 -3.480 29.269 -5.703 1.00 0.00 O ATOM 0 H SER A 365 -5.305 27.842 -8.517 1.00 0.00 H new ATOM 0 HA SER A 365 -2.506 27.864 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 365 -5.121 28.077 -6.052 1.00 0.00 H new ATOM 0 HB3 SER A 365 -3.761 27.272 -5.294 1.00 0.00 H new ATOM 0 HG SER A 365 -3.812 29.542 -4.822 1.00 0.00 H new ATOM 30 N GLY A 366 -2.604 25.441 -8.167 1.00 0.00 N ATOM 31 CA GLY A 366 -2.560 23.998 -8.313 1.00 0.00 C ATOM 32 C GLY A 366 -3.187 23.527 -9.610 1.00 0.00 C ATOM 33 O GLY A 366 -4.354 23.808 -9.882 1.00 0.00 O ATOM 0 H GLY A 366 -1.827 25.939 -8.601 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -1.524 23.663 -8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -3.078 23.535 -7.473 1.00 0.00 H new ATOM 37 N SER A 367 -2.409 22.809 -10.415 1.00 0.00 N ATOM 38 CA SER A 367 -2.893 22.303 -11.694 1.00 0.00 C ATOM 39 C SER A 367 -4.090 21.378 -11.494 1.00 0.00 C ATOM 40 O SER A 367 -5.127 21.539 -12.136 1.00 0.00 O ATOM 41 CB SER A 367 -1.776 21.560 -12.428 1.00 0.00 C ATOM 42 OG SER A 367 -0.690 22.425 -12.714 1.00 0.00 O ATOM 0 H SER A 367 -1.441 22.565 -10.204 1.00 0.00 H new ATOM 0 HA SER A 367 -3.210 23.154 -12.297 1.00 0.00 H new ATOM 0 HB2 SER A 367 -1.429 20.725 -11.819 1.00 0.00 H new ATOM 0 HB3 SER A 367 -2.164 21.139 -13.356 1.00 0.00 H new ATOM 0 HG SER A 367 0.012 21.926 -13.182 1.00 0.00 H new ATOM 48 N SER A 368 -3.936 20.407 -10.599 1.00 0.00 N ATOM 49 CA SER A 368 -5.001 19.452 -10.317 1.00 0.00 C ATOM 50 C SER A 368 -4.906 18.940 -8.883 1.00 0.00 C ATOM 51 O SER A 368 -3.938 19.217 -8.176 1.00 0.00 O ATOM 52 CB SER A 368 -4.935 18.278 -11.295 1.00 0.00 C ATOM 53 OG SER A 368 -5.382 18.662 -12.584 1.00 0.00 O ATOM 0 H SER A 368 -3.084 20.261 -10.057 1.00 0.00 H new ATOM 0 HA SER A 368 -5.956 19.964 -10.439 1.00 0.00 H new ATOM 0 HB2 SER A 368 -3.911 17.909 -11.357 1.00 0.00 H new ATOM 0 HB3 SER A 368 -5.548 17.457 -10.924 1.00 0.00 H new ATOM 0 HG SER A 368 -5.514 19.633 -12.609 1.00 0.00 H new ATOM 59 N GLY A 369 -5.919 18.190 -8.460 1.00 0.00 N ATOM 60 CA GLY A 369 -5.931 17.651 -7.113 1.00 0.00 C ATOM 61 C GLY A 369 -6.288 16.178 -7.081 1.00 0.00 C ATOM 62 O GLY A 369 -7.290 15.789 -6.482 1.00 0.00 O ATOM 0 H GLY A 369 -6.732 17.946 -9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 369 -4.950 17.794 -6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 369 -6.646 18.208 -6.508 1.00 0.00 H new ATOM 66 N GLN A 370 -5.466 15.358 -7.728 1.00 0.00 N ATOM 67 CA GLN A 370 -5.703 13.919 -7.773 1.00 0.00 C ATOM 68 C GLN A 370 -4.507 13.154 -7.216 1.00 0.00 C ATOM 69 O GLN A 370 -4.665 12.237 -6.409 1.00 0.00 O ATOM 70 CB GLN A 370 -5.986 13.473 -9.208 1.00 0.00 C ATOM 71 CG GLN A 370 -6.690 12.128 -9.298 1.00 0.00 C ATOM 72 CD GLN A 370 -6.358 11.380 -10.575 1.00 0.00 C ATOM 73 OE1 GLN A 370 -7.151 11.352 -11.516 1.00 0.00 O ATOM 74 NE2 GLN A 370 -5.180 10.769 -10.613 1.00 0.00 N ATOM 0 H GLN A 370 -4.631 15.664 -8.228 1.00 0.00 H new ATOM 0 HA GLN A 370 -6.573 13.699 -7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 370 -6.598 14.228 -9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 370 -5.045 13.419 -9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 370 -6.409 11.517 -8.440 1.00 0.00 H new ATOM 0 HG3 GLN A 370 -7.768 12.282 -9.241 1.00 0.00 H new ATOM 0 HE21 GLN A 370 -4.554 10.819 -9.809 1.00 0.00 H new ATOM 0 HE22 GLN A 370 -4.901 10.250 -11.446 1.00 0.00 H new ATOM 83 N ASP A 371 -3.311 13.535 -7.653 1.00 0.00 N ATOM 84 CA ASP A 371 -2.088 12.884 -7.197 1.00 0.00 C ATOM 85 C ASP A 371 -1.569 13.536 -5.920 1.00 0.00 C ATOM 86 O ASP A 371 -1.818 14.714 -5.666 1.00 0.00 O ATOM 87 CB ASP A 371 -1.017 12.945 -8.287 1.00 0.00 C ATOM 88 CG ASP A 371 -0.616 14.367 -8.626 1.00 0.00 C ATOM 89 OD1 ASP A 371 -1.505 15.163 -8.996 1.00 0.00 O ATOM 90 OD2 ASP A 371 0.587 14.685 -8.521 1.00 0.00 O ATOM 0 H ASP A 371 -3.163 14.291 -8.322 1.00 0.00 H new ATOM 0 HA ASP A 371 -2.319 11.841 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 371 -0.137 12.391 -7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 371 -1.388 12.451 -9.185 1.00 0.00 H new ATOM 95 N GLY A 372 -0.846 12.761 -5.117 1.00 0.00 N ATOM 96 CA GLY A 372 -0.305 13.280 -3.875 1.00 0.00 C ATOM 97 C GLY A 372 -0.932 12.635 -2.655 1.00 0.00 C ATOM 98 O GLY A 372 -1.478 11.536 -2.737 1.00 0.00 O ATOM 0 H GLY A 372 -0.626 11.783 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 372 0.772 13.116 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 372 -0.465 14.358 -3.835 1.00 0.00 H new ATOM 102 N GLY A 373 -0.852 13.320 -1.518 1.00 0.00 N ATOM 103 CA GLY A 373 -1.418 12.790 -0.291 1.00 0.00 C ATOM 104 C GLY A 373 -0.547 11.720 0.335 1.00 0.00 C ATOM 105 O GLY A 373 0.356 12.023 1.115 1.00 0.00 O ATOM 0 H GLY A 373 -0.405 14.232 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 373 -1.558 13.603 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -2.404 12.375 -0.499 1.00 0.00 H new ATOM 109 N ARG A 374 -0.818 10.464 -0.005 1.00 0.00 N ATOM 110 CA ARG A 374 -0.054 9.345 0.533 1.00 0.00 C ATOM 111 C ARG A 374 -0.188 8.116 -0.361 1.00 0.00 C ATOM 112 O ARG A 374 -1.261 7.839 -0.898 1.00 0.00 O ATOM 113 CB ARG A 374 -0.524 9.012 1.950 1.00 0.00 C ATOM 114 CG ARG A 374 -1.934 8.447 2.007 1.00 0.00 C ATOM 115 CD ARG A 374 -2.978 9.553 1.992 1.00 0.00 C ATOM 116 NE ARG A 374 -3.280 10.038 3.336 1.00 0.00 N ATOM 117 CZ ARG A 374 -3.926 9.320 4.248 1.00 0.00 C ATOM 118 NH1 ARG A 374 -4.334 8.091 3.963 1.00 0.00 N ATOM 119 NH2 ARG A 374 -4.164 9.830 5.450 1.00 0.00 N ATOM 0 H ARG A 374 -1.561 10.196 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 374 0.996 9.637 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 374 0.165 8.292 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 374 -0.478 9.914 2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 374 -2.095 7.781 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 374 -2.051 7.847 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 374 -2.620 10.381 1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 374 -3.891 9.183 1.526 1.00 0.00 H new ATOM 0 HE ARG A 374 -2.979 10.979 3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 374 -4.152 7.694 3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 374 -4.830 7.542 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 374 -3.851 10.774 5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 374 -4.660 9.278 6.149 1.00 0.00 H new ATOM 133 N LYS A 375 0.908 7.381 -0.517 1.00 0.00 N ATOM 134 CA LYS A 375 0.914 6.181 -1.345 1.00 0.00 C ATOM 135 C LYS A 375 0.277 5.007 -0.607 1.00 0.00 C ATOM 136 O LYS A 375 0.712 4.640 0.485 1.00 0.00 O ATOM 137 CB LYS A 375 2.345 5.825 -1.753 1.00 0.00 C ATOM 138 CG LYS A 375 2.780 6.460 -3.062 1.00 0.00 C ATOM 139 CD LYS A 375 3.091 7.937 -2.889 1.00 0.00 C ATOM 140 CE LYS A 375 1.862 8.798 -3.138 1.00 0.00 C ATOM 141 NZ LYS A 375 2.141 10.243 -2.907 1.00 0.00 N ATOM 0 H LYS A 375 1.804 7.596 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 375 0.328 6.385 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 375 3.028 6.138 -0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 375 2.431 4.742 -1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 375 3.661 5.944 -3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 375 1.993 6.338 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 375 3.464 8.116 -1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 375 3.885 8.226 -3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 375 1.519 8.654 -4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 375 1.053 8.475 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 1.279 10.796 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 2.444 10.385 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 2.895 10.558 -3.550 1.00 0.00 H new ATOM 155 N ILE A 376 -0.752 4.423 -1.210 1.00 0.00 N ATOM 156 CA ILE A 376 -1.446 3.290 -0.610 1.00 0.00 C ATOM 157 C ILE A 376 -1.819 2.253 -1.664 1.00 0.00 C ATOM 158 O ILE A 376 -2.351 2.591 -2.722 1.00 0.00 O ATOM 159 CB ILE A 376 -2.722 3.737 0.128 1.00 0.00 C ATOM 160 CG1 ILE A 376 -2.391 4.829 1.147 1.00 0.00 C ATOM 161 CG2 ILE A 376 -3.382 2.549 0.811 1.00 0.00 C ATOM 162 CD1 ILE A 376 -3.614 5.496 1.737 1.00 0.00 C ATOM 0 H ILE A 376 -1.124 4.715 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 376 -0.758 2.844 0.108 1.00 0.00 H new ATOM 0 HB ILE A 376 -3.422 4.146 -0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 376 -1.799 4.395 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 376 -1.770 5.586 0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 376 -4.282 2.881 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 376 -3.648 1.801 0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 376 -2.690 2.113 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 376 -3.304 6.259 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 376 -4.196 5.960 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 376 -4.225 4.751 2.246 1.00 0.00 H new ATOM 174 N CYS A 377 -1.538 0.989 -1.368 1.00 0.00 N ATOM 175 CA CYS A 377 -1.845 -0.099 -2.288 1.00 0.00 C ATOM 176 C CYS A 377 -3.351 -0.222 -2.503 1.00 0.00 C ATOM 177 O CYS A 377 -4.125 -0.394 -1.562 1.00 0.00 O ATOM 178 CB CYS A 377 -1.285 -1.420 -1.755 1.00 0.00 C ATOM 179 SG CYS A 377 -1.133 -2.726 -3.015 1.00 0.00 S ATOM 0 H CYS A 377 -1.098 0.693 -0.497 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.376 0.126 -3.246 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -0.304 -1.236 -1.318 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -1.930 -1.778 -0.952 1.00 0.00 H new ATOM 184 N PRO A 378 -3.776 -0.133 -3.772 1.00 0.00 N ATOM 185 CA PRO A 378 -5.192 -0.232 -4.141 1.00 0.00 C ATOM 186 C PRO A 378 -5.743 -1.641 -3.952 1.00 0.00 C ATOM 187 O PRO A 378 -6.891 -1.920 -4.297 1.00 0.00 O ATOM 188 CB PRO A 378 -5.200 0.152 -5.623 1.00 0.00 C ATOM 189 CG PRO A 378 -3.830 -0.178 -6.107 1.00 0.00 C ATOM 190 CD PRO A 378 -2.909 0.072 -4.944 1.00 0.00 C ATOM 0 HA PRO A 378 -5.821 0.404 -3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -5.959 -0.405 -6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -5.423 1.211 -5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -3.771 -1.216 -6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -3.558 0.442 -6.961 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -2.065 -0.617 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -2.497 1.081 -4.967 1.00 0.00 H new ATOM 198 N ARG A 379 -4.917 -2.525 -3.403 1.00 0.00 N ATOM 199 CA ARG A 379 -5.322 -3.906 -3.169 1.00 0.00 C ATOM 200 C ARG A 379 -5.467 -4.185 -1.676 1.00 0.00 C ATOM 201 O ARG A 379 -6.487 -4.709 -1.227 1.00 0.00 O ATOM 202 CB ARG A 379 -4.304 -4.870 -3.782 1.00 0.00 C ATOM 203 CG ARG A 379 -4.831 -6.285 -3.954 1.00 0.00 C ATOM 204 CD ARG A 379 -5.587 -6.442 -5.264 1.00 0.00 C ATOM 205 NE ARG A 379 -6.873 -5.752 -5.241 1.00 0.00 N ATOM 206 CZ ARG A 379 -7.945 -6.217 -4.609 1.00 0.00 C ATOM 207 NH1 ARG A 379 -7.884 -7.367 -3.951 1.00 0.00 N ATOM 208 NH2 ARG A 379 -9.081 -5.531 -4.633 1.00 0.00 N ATOM 0 H ARG A 379 -3.963 -2.310 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 379 -6.290 -4.059 -3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -3.993 -4.487 -4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -3.416 -4.897 -3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -4.000 -6.990 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -5.489 -6.533 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -4.981 -6.051 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -5.748 -7.501 -5.465 1.00 0.00 H new ATOM 0 HE ARG A 379 -6.953 -4.864 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -7.013 -7.897 -3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -8.709 -7.722 -3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -9.132 -4.646 -5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -9.903 -5.889 -4.147 1.00 0.00 H new ATOM 222 N CYS A 380 -4.440 -3.831 -0.910 1.00 0.00 N ATOM 223 CA CYS A 380 -4.451 -4.044 0.532 1.00 0.00 C ATOM 224 C CYS A 380 -4.246 -2.728 1.277 1.00 0.00 C ATOM 225 O CYS A 380 -3.768 -2.713 2.411 1.00 0.00 O ATOM 226 CB CYS A 380 -3.364 -5.043 0.930 1.00 0.00 C ATOM 227 SG CYS A 380 -1.672 -4.499 0.530 1.00 0.00 S ATOM 0 H CYS A 380 -3.589 -3.395 -1.265 1.00 0.00 H new ATOM 0 HA CYS A 380 -5.425 -4.449 0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 380 -3.431 -5.228 2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 380 -3.557 -5.992 0.430 1.00 0.00 H new ATOM 232 N ASN A 381 -4.610 -1.625 0.631 1.00 0.00 N ATOM 233 CA ASN A 381 -4.466 -0.304 1.232 1.00 0.00 C ATOM 234 C ASN A 381 -3.171 -0.210 2.033 1.00 0.00 C ATOM 235 O ASN A 381 -3.073 0.564 2.985 1.00 0.00 O ATOM 236 CB ASN A 381 -5.662 0.002 2.135 1.00 0.00 C ATOM 237 CG ASN A 381 -6.988 -0.256 1.446 1.00 0.00 C ATOM 238 OD1 ASN A 381 -7.127 -0.038 0.243 1.00 0.00 O ATOM 239 ND2 ASN A 381 -7.970 -0.722 2.209 1.00 0.00 N ATOM 0 H ASN A 381 -5.007 -1.620 -0.309 1.00 0.00 H new ATOM 0 HA ASN A 381 -4.430 0.432 0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 381 -5.599 -0.608 3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 381 -5.617 1.044 2.452 1.00 0.00 H new ATOM 0 HD21 ASN A 381 -8.885 -0.914 1.802 1.00 0.00 H new ATOM 0 HD22 ASN A 381 -7.809 -0.888 3.202 1.00 0.00 H new ATOM 246 N ALA A 382 -2.179 -1.003 1.641 1.00 0.00 N ATOM 247 CA ALA A 382 -0.890 -1.007 2.321 1.00 0.00 C ATOM 248 C ALA A 382 -0.370 0.412 2.521 1.00 0.00 C ATOM 249 O ALA A 382 -0.498 1.259 1.637 1.00 0.00 O ATOM 250 CB ALA A 382 0.118 -1.835 1.536 1.00 0.00 C ATOM 0 H ALA A 382 -2.244 -1.651 0.856 1.00 0.00 H new ATOM 0 HA ALA A 382 -1.027 -1.457 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 382 1.076 -1.829 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 382 -0.242 -2.860 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 382 0.242 -1.409 0.540 1.00 0.00 H new ATOM 256 N GLN A 383 0.215 0.664 3.687 1.00 0.00 N ATOM 257 CA GLN A 383 0.752 1.982 4.003 1.00 0.00 C ATOM 258 C GLN A 383 2.271 1.998 3.866 1.00 0.00 C ATOM 259 O GLN A 383 2.986 1.451 4.705 1.00 0.00 O ATOM 260 CB GLN A 383 0.352 2.394 5.421 1.00 0.00 C ATOM 261 CG GLN A 383 -0.977 3.129 5.489 1.00 0.00 C ATOM 262 CD GLN A 383 -1.229 3.752 6.847 1.00 0.00 C ATOM 263 OE1 GLN A 383 -0.687 3.306 7.859 1.00 0.00 O ATOM 264 NE2 GLN A 383 -2.056 4.791 6.877 1.00 0.00 N ATOM 0 H GLN A 383 0.329 -0.027 4.429 1.00 0.00 H new ATOM 0 HA GLN A 383 0.333 2.696 3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 383 0.298 1.504 6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 383 1.132 3.031 5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 383 -0.997 3.908 4.727 1.00 0.00 H new ATOM 0 HG3 GLN A 383 -1.784 2.435 5.256 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -2.483 5.128 6.014 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -2.264 5.252 7.763 1.00 0.00 H new ATOM 273 N PHE A 384 2.758 2.629 2.802 1.00 0.00 N ATOM 274 CA PHE A 384 4.192 2.714 2.554 1.00 0.00 C ATOM 275 C PHE A 384 4.653 4.169 2.524 1.00 0.00 C ATOM 276 O PHE A 384 3.837 5.090 2.552 1.00 0.00 O ATOM 277 CB PHE A 384 4.545 2.028 1.232 1.00 0.00 C ATOM 278 CG PHE A 384 4.639 0.533 1.339 1.00 0.00 C ATOM 279 CD1 PHE A 384 5.773 -0.067 1.861 1.00 0.00 C ATOM 280 CD2 PHE A 384 3.593 -0.272 0.918 1.00 0.00 C ATOM 281 CE1 PHE A 384 5.863 -1.443 1.961 1.00 0.00 C ATOM 282 CE2 PHE A 384 3.677 -1.648 1.016 1.00 0.00 C ATOM 283 CZ PHE A 384 4.814 -2.234 1.537 1.00 0.00 C ATOM 0 H PHE A 384 2.180 3.089 2.098 1.00 0.00 H new ATOM 0 HA PHE A 384 4.707 2.204 3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 384 3.792 2.284 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 384 5.496 2.419 0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 384 6.597 0.547 2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 384 2.702 0.181 0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 384 6.753 -1.898 2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 384 2.854 -2.265 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 384 4.882 -3.309 1.613 1.00 0.00 H new ATOM 293 N ARG A 385 5.966 4.366 2.466 1.00 0.00 N ATOM 294 CA ARG A 385 6.536 5.707 2.434 1.00 0.00 C ATOM 295 C ARG A 385 7.387 5.907 1.183 1.00 0.00 C ATOM 296 O ARG A 385 7.309 6.945 0.526 1.00 0.00 O ATOM 297 CB ARG A 385 7.383 5.955 3.684 1.00 0.00 C ATOM 298 CG ARG A 385 6.584 6.480 4.867 1.00 0.00 C ATOM 299 CD ARG A 385 6.375 7.983 4.774 1.00 0.00 C ATOM 300 NE ARG A 385 5.651 8.507 5.930 1.00 0.00 N ATOM 301 CZ ARG A 385 5.236 9.765 6.029 1.00 0.00 C ATOM 302 NH1 ARG A 385 5.473 10.623 5.046 1.00 0.00 N ATOM 303 NH2 ARG A 385 4.584 10.166 7.112 1.00 0.00 N ATOM 0 H ARG A 385 6.655 3.614 2.440 1.00 0.00 H new ATOM 0 HA ARG A 385 5.714 6.423 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 385 7.873 5.025 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 385 8.171 6.669 3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 385 5.617 5.979 4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 385 7.105 6.240 5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 385 7.342 8.480 4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 385 5.823 8.217 3.864 1.00 0.00 H new ATOM 0 HE ARG A 385 5.453 7.872 6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 385 5.975 10.317 4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 385 5.154 11.589 5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 385 4.401 9.508 7.870 1.00 0.00 H new ATOM 0 HH22 ARG A 385 4.266 11.132 7.187 1.00 0.00 H new ATOM 317 N VAL A 386 8.199 4.905 0.860 1.00 0.00 N ATOM 318 CA VAL A 386 9.064 4.970 -0.311 1.00 0.00 C ATOM 319 C VAL A 386 8.387 4.352 -1.529 1.00 0.00 C ATOM 320 O VAL A 386 7.311 3.760 -1.423 1.00 0.00 O ATOM 321 CB VAL A 386 10.403 4.250 -0.062 1.00 0.00 C ATOM 322 CG1 VAL A 386 11.171 4.927 1.063 1.00 0.00 C ATOM 323 CG2 VAL A 386 10.166 2.780 0.253 1.00 0.00 C ATOM 0 H VAL A 386 8.275 4.039 1.393 1.00 0.00 H new ATOM 0 HA VAL A 386 9.258 6.025 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 386 11.004 4.312 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 386 12.114 4.405 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 386 11.372 5.964 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 386 10.578 4.898 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 386 11.122 2.286 0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 386 9.546 2.694 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 386 9.659 2.305 -0.587 1.00 0.00 H new ATOM 333 N THR A 387 9.023 4.491 -2.688 1.00 0.00 N ATOM 334 CA THR A 387 8.482 3.947 -3.927 1.00 0.00 C ATOM 335 C THR A 387 8.903 2.495 -4.120 1.00 0.00 C ATOM 336 O THR A 387 8.087 1.645 -4.476 1.00 0.00 O ATOM 337 CB THR A 387 8.938 4.768 -5.148 1.00 0.00 C ATOM 338 OG1 THR A 387 8.323 4.262 -6.337 1.00 0.00 O ATOM 339 CG2 THR A 387 10.452 4.723 -5.296 1.00 0.00 C ATOM 0 H THR A 387 9.914 4.976 -2.794 1.00 0.00 H new ATOM 0 HA THR A 387 7.396 4.000 -3.847 1.00 0.00 H new ATOM 0 HB THR A 387 8.634 5.803 -4.995 1.00 0.00 H new ATOM 0 HG1 THR A 387 8.617 4.791 -7.108 1.00 0.00 H new ATOM 0 HG21 THR A 387 10.750 5.310 -6.165 1.00 0.00 H new ATOM 0 HG22 THR A 387 10.917 5.137 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 387 10.774 3.690 -5.428 1.00 0.00 H new ATOM 347 N GLU A 388 10.182 2.218 -3.883 1.00 0.00 N ATOM 348 CA GLU A 388 10.710 0.866 -4.031 1.00 0.00 C ATOM 349 C GLU A 388 9.796 -0.152 -3.356 1.00 0.00 C ATOM 350 O GLU A 388 9.344 -1.108 -3.985 1.00 0.00 O ATOM 351 CB GLU A 388 12.117 0.777 -3.438 1.00 0.00 C ATOM 352 CG GLU A 388 12.737 -0.606 -3.545 1.00 0.00 C ATOM 353 CD GLU A 388 14.247 -0.581 -3.414 1.00 0.00 C ATOM 354 OE1 GLU A 388 14.745 -0.108 -2.371 1.00 0.00 O ATOM 355 OE2 GLU A 388 14.931 -1.035 -4.355 1.00 0.00 O ATOM 0 H GLU A 388 10.871 2.910 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 388 10.757 0.636 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 388 12.762 1.495 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 388 12.079 1.068 -2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 388 12.320 -1.248 -2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 388 12.467 -1.048 -4.504 1.00 0.00 H new ATOM 362 N ALA A 389 9.530 0.060 -2.072 1.00 0.00 N ATOM 363 CA ALA A 389 8.670 -0.837 -1.311 1.00 0.00 C ATOM 364 C ALA A 389 7.435 -1.228 -2.116 1.00 0.00 C ATOM 365 O ALA A 389 7.128 -2.411 -2.267 1.00 0.00 O ATOM 366 CB ALA A 389 8.262 -0.189 0.004 1.00 0.00 C ATOM 0 H ALA A 389 9.898 0.846 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 389 9.234 -1.745 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 389 7.620 -0.871 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 389 9.153 0.033 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 389 7.721 0.735 -0.198 1.00 0.00 H new ATOM 372 N LEU A 390 6.729 -0.227 -2.630 1.00 0.00 N ATOM 373 CA LEU A 390 5.526 -0.465 -3.420 1.00 0.00 C ATOM 374 C LEU A 390 5.847 -1.281 -4.668 1.00 0.00 C ATOM 375 O LEU A 390 5.076 -2.155 -5.066 1.00 0.00 O ATOM 376 CB LEU A 390 4.881 0.864 -3.818 1.00 0.00 C ATOM 377 CG LEU A 390 4.089 1.579 -2.723 1.00 0.00 C ATOM 378 CD1 LEU A 390 3.853 3.034 -3.099 1.00 0.00 C ATOM 379 CD2 LEU A 390 2.767 0.870 -2.471 1.00 0.00 C ATOM 0 H LEU A 390 6.969 0.758 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 390 4.825 -1.032 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 390 5.665 1.535 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 390 4.215 0.684 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 390 4.673 1.553 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 390 3.288 3.527 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 390 4.812 3.537 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 390 3.290 3.082 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 390 2.217 1.393 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 390 2.177 0.864 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 390 2.959 -0.156 -2.156 1.00 0.00 H new ATOM 391 N ARG A 391 6.991 -0.991 -5.280 1.00 0.00 N ATOM 392 CA ARG A 391 7.414 -1.699 -6.483 1.00 0.00 C ATOM 393 C ARG A 391 7.372 -3.209 -6.268 1.00 0.00 C ATOM 394 O ARG A 391 6.717 -3.934 -7.016 1.00 0.00 O ATOM 395 CB ARG A 391 8.827 -1.269 -6.882 1.00 0.00 C ATOM 396 CG ARG A 391 9.179 -1.597 -8.324 1.00 0.00 C ATOM 397 CD ARG A 391 9.693 -3.022 -8.462 1.00 0.00 C ATOM 398 NE ARG A 391 9.670 -3.480 -9.848 1.00 0.00 N ATOM 399 CZ ARG A 391 10.638 -3.227 -10.722 1.00 0.00 C ATOM 400 NH1 ARG A 391 11.700 -2.524 -10.355 1.00 0.00 N ATOM 401 NH2 ARG A 391 10.545 -3.678 -11.967 1.00 0.00 N ATOM 0 H ARG A 391 7.641 -0.272 -4.963 1.00 0.00 H new ATOM 0 HA ARG A 391 6.723 -1.445 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 391 8.928 -0.195 -6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 391 9.546 -1.755 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 391 8.299 -1.464 -8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 391 9.936 -0.900 -8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 391 10.712 -3.079 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 391 9.084 -3.688 -7.850 1.00 0.00 H new ATOM 0 HE ARG A 391 8.867 -4.024 -10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 391 11.776 -2.176 -9.399 1.00 0.00 H new ATOM 0 HH12 ARG A 391 12.442 -2.331 -11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 391 9.730 -4.220 -12.254 1.00 0.00 H new ATOM 0 HH22 ARG A 391 11.289 -3.483 -12.637 1.00 0.00 H new ATOM 415 N GLY A 392 8.076 -3.676 -5.242 1.00 0.00 N ATOM 416 CA GLY A 392 8.105 -5.097 -4.948 1.00 0.00 C ATOM 417 C GLY A 392 6.791 -5.600 -4.384 1.00 0.00 C ATOM 418 O GLY A 392 6.199 -6.541 -4.914 1.00 0.00 O ATOM 0 H GLY A 392 8.627 -3.096 -4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 392 8.341 -5.648 -5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 392 8.904 -5.301 -4.236 1.00 0.00 H new ATOM 422 N HIS A 393 6.334 -4.974 -3.304 1.00 0.00 N ATOM 423 CA HIS A 393 5.081 -5.364 -2.667 1.00 0.00 C ATOM 424 C HIS A 393 3.972 -5.526 -3.702 1.00 0.00 C ATOM 425 O HIS A 393 3.293 -6.552 -3.743 1.00 0.00 O ATOM 426 CB HIS A 393 4.671 -4.326 -1.622 1.00 0.00 C ATOM 427 CG HIS A 393 3.212 -4.359 -1.286 1.00 0.00 C ATOM 428 ND1 HIS A 393 2.645 -5.331 -0.489 1.00 0.00 N ATOM 429 CD2 HIS A 393 2.203 -3.530 -1.642 1.00 0.00 C ATOM 430 CE1 HIS A 393 1.349 -5.100 -0.371 1.00 0.00 C ATOM 431 NE2 HIS A 393 1.056 -4.012 -1.061 1.00 0.00 N ATOM 0 H HIS A 393 6.812 -4.195 -2.852 1.00 0.00 H new ATOM 0 HA HIS A 393 5.237 -6.324 -2.174 1.00 0.00 H new ATOM 0 HB2 HIS A 393 5.249 -4.490 -0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 393 4.929 -3.332 -1.988 1.00 0.00 H new ATOM 0 HD2 HIS A 393 2.285 -2.653 -2.267 1.00 0.00 H new ATOM 0 HE1 HIS A 393 0.649 -5.698 0.193 1.00 0.00 H new ATOM 0 HE2 HIS A 393 0.128 -3.597 -1.148 1.00 0.00 H new ATOM 439 N MET A 394 3.795 -4.507 -4.536 1.00 0.00 N ATOM 440 CA MET A 394 2.768 -4.537 -5.572 1.00 0.00 C ATOM 441 C MET A 394 3.002 -5.697 -6.535 1.00 0.00 C ATOM 442 O MET A 394 2.085 -6.463 -6.833 1.00 0.00 O ATOM 443 CB MET A 394 2.751 -3.215 -6.342 1.00 0.00 C ATOM 444 CG MET A 394 2.288 -2.032 -5.507 1.00 0.00 C ATOM 445 SD MET A 394 0.505 -1.779 -5.589 1.00 0.00 S ATOM 446 CE MET A 394 0.383 -0.690 -7.006 1.00 0.00 C ATOM 0 H MET A 394 4.349 -3.651 -4.515 1.00 0.00 H new ATOM 0 HA MET A 394 1.802 -4.679 -5.087 1.00 0.00 H new ATOM 0 HB2 MET A 394 3.752 -3.012 -6.721 1.00 0.00 H new ATOM 0 HB3 MET A 394 2.097 -3.317 -7.208 1.00 0.00 H new ATOM 0 HG2 MET A 394 2.581 -2.188 -4.469 1.00 0.00 H new ATOM 0 HG3 MET A 394 2.795 -1.130 -5.849 1.00 0.00 H new ATOM 0 HE1 MET A 394 -0.663 -0.442 -7.185 1.00 0.00 H new ATOM 0 HE2 MET A 394 0.945 0.224 -6.812 1.00 0.00 H new ATOM 0 HE3 MET A 394 0.793 -1.188 -7.884 1.00 0.00 H new ATOM 456 N CYS A 395 4.233 -5.820 -7.018 1.00 0.00 N ATOM 457 CA CYS A 395 4.586 -6.886 -7.949 1.00 0.00 C ATOM 458 C CYS A 395 3.983 -8.215 -7.507 1.00 0.00 C ATOM 459 O CYS A 395 3.372 -8.927 -8.305 1.00 0.00 O ATOM 460 CB CYS A 395 6.106 -7.013 -8.059 1.00 0.00 C ATOM 461 SG CYS A 395 6.843 -5.978 -9.346 1.00 0.00 S ATOM 0 H CYS A 395 5.003 -5.195 -6.781 1.00 0.00 H new ATOM 0 HA CYS A 395 4.179 -6.630 -8.927 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.552 -6.753 -7.099 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.359 -8.055 -8.256 1.00 0.00 H new ATOM 0 HG CYS A 395 7.036 -4.779 -8.881 1.00 0.00 H new ATOM 467 N TYR A 396 4.160 -8.545 -6.233 1.00 0.00 N ATOM 468 CA TYR A 396 3.637 -9.791 -5.686 1.00 0.00 C ATOM 469 C TYR A 396 2.157 -9.657 -5.344 1.00 0.00 C ATOM 470 O TYR A 396 1.317 -10.389 -5.869 1.00 0.00 O ATOM 471 CB TYR A 396 4.425 -10.195 -4.438 1.00 0.00 C ATOM 472 CG TYR A 396 5.841 -10.636 -4.733 1.00 0.00 C ATOM 473 CD1 TYR A 396 6.102 -11.893 -5.265 1.00 0.00 C ATOM 474 CD2 TYR A 396 6.919 -9.796 -4.479 1.00 0.00 C ATOM 475 CE1 TYR A 396 7.394 -12.300 -5.535 1.00 0.00 C ATOM 476 CE2 TYR A 396 8.214 -10.194 -4.747 1.00 0.00 C ATOM 477 CZ TYR A 396 8.446 -11.447 -5.275 1.00 0.00 C ATOM 478 OH TYR A 396 9.735 -11.848 -5.543 1.00 0.00 O ATOM 0 H TYR A 396 4.662 -7.967 -5.559 1.00 0.00 H new ATOM 0 HA TYR A 396 3.748 -10.566 -6.445 1.00 0.00 H new ATOM 0 HB2 TYR A 396 4.452 -9.352 -3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 396 3.899 -11.005 -3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 396 5.280 -12.563 -5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 396 6.741 -8.815 -4.065 1.00 0.00 H new ATOM 0 HE1 TYR A 396 7.579 -13.281 -5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.040 -9.528 -4.544 1.00 0.00 H new ATOM 0 HH TYR A 396 10.357 -11.130 -5.304 1.00 0.00 H new ATOM 488 N CYS A 397 1.843 -8.715 -4.461 1.00 0.00 N ATOM 489 CA CYS A 397 0.464 -8.482 -4.048 1.00 0.00 C ATOM 490 C CYS A 397 -0.453 -8.352 -5.260 1.00 0.00 C ATOM 491 O CYS A 397 -1.310 -9.203 -5.498 1.00 0.00 O ATOM 492 CB CYS A 397 0.374 -7.220 -3.188 1.00 0.00 C ATOM 493 SG CYS A 397 -1.330 -6.716 -2.784 1.00 0.00 S ATOM 0 H CYS A 397 2.525 -8.100 -4.017 1.00 0.00 H new ATOM 0 HA CYS A 397 0.138 -9.339 -3.459 1.00 0.00 H new ATOM 0 HB2 CYS A 397 0.922 -7.385 -2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 397 0.870 -6.401 -3.710 1.00 0.00 H new ATOM 498 N CYS A 398 -0.265 -7.281 -6.024 1.00 0.00 N ATOM 499 CA CYS A 398 -1.075 -7.038 -7.212 1.00 0.00 C ATOM 500 C CYS A 398 -0.195 -6.871 -8.446 1.00 0.00 C ATOM 501 O CYS A 398 0.168 -5.761 -8.835 1.00 0.00 O ATOM 502 CB CYS A 398 -1.943 -5.793 -7.018 1.00 0.00 C ATOM 503 SG CYS A 398 -2.946 -5.360 -8.459 1.00 0.00 S ATOM 0 H CYS A 398 0.441 -6.568 -5.842 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.721 -7.903 -7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 398 -2.602 -5.952 -6.165 1.00 0.00 H new ATOM 0 HB3 CYS A 398 -1.299 -4.949 -6.770 1.00 0.00 H new ATOM 0 HG CYS A 398 -3.646 -4.296 -8.197 1.00 0.00 H new ATOM 509 N PRO A 399 0.161 -8.001 -9.077 1.00 0.00 N ATOM 510 CA PRO A 399 1.005 -8.006 -10.275 1.00 0.00 C ATOM 511 C PRO A 399 0.286 -7.436 -11.493 1.00 0.00 C ATOM 512 O PRO A 399 0.860 -7.345 -12.578 1.00 0.00 O ATOM 513 CB PRO A 399 1.315 -9.490 -10.484 1.00 0.00 C ATOM 514 CG PRO A 399 0.181 -10.209 -9.837 1.00 0.00 C ATOM 515 CD PRO A 399 -0.235 -9.359 -8.669 1.00 0.00 C ATOM 0 HA PRO A 399 1.892 -7.384 -10.151 1.00 0.00 H new ATOM 0 HB2 PRO A 399 1.385 -9.734 -11.544 1.00 0.00 H new ATOM 0 HB3 PRO A 399 2.268 -9.763 -10.030 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -0.645 -10.344 -10.535 1.00 0.00 H new ATOM 0 HG3 PRO A 399 0.486 -11.202 -9.508 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -1.307 -9.427 -8.485 1.00 0.00 H new ATOM 0 HD3 PRO A 399 0.266 -9.665 -7.751 1.00 0.00 H new ATOM 523 N GLU A 400 -0.974 -7.054 -11.306 1.00 0.00 N ATOM 524 CA GLU A 400 -1.770 -6.493 -12.391 1.00 0.00 C ATOM 525 C GLU A 400 -1.520 -4.994 -12.531 1.00 0.00 C ATOM 526 O GLU A 400 -1.311 -4.489 -13.634 1.00 0.00 O ATOM 527 CB GLU A 400 -3.258 -6.752 -12.148 1.00 0.00 C ATOM 528 CG GLU A 400 -4.074 -6.860 -13.425 1.00 0.00 C ATOM 529 CD GLU A 400 -4.599 -5.518 -13.898 1.00 0.00 C ATOM 530 OE1 GLU A 400 -3.865 -4.516 -13.771 1.00 0.00 O ATOM 531 OE2 GLU A 400 -5.743 -5.471 -14.395 1.00 0.00 O ATOM 0 H GLU A 400 -1.465 -7.123 -10.414 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.470 -6.982 -13.318 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.369 -7.674 -11.577 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.663 -5.947 -11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.458 -7.302 -14.209 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.913 -7.536 -13.260 1.00 0.00 H new ATOM 538 N MET A 401 -1.543 -4.289 -11.405 1.00 0.00 N ATOM 539 CA MET A 401 -1.318 -2.848 -11.402 1.00 0.00 C ATOM 540 C MET A 401 0.173 -2.530 -11.346 1.00 0.00 C ATOM 541 O MET A 401 0.612 -1.700 -10.550 1.00 0.00 O ATOM 542 CB MET A 401 -2.034 -2.201 -10.215 1.00 0.00 C ATOM 543 CG MET A 401 -2.472 -0.769 -10.476 1.00 0.00 C ATOM 544 SD MET A 401 -1.174 0.431 -10.119 1.00 0.00 S ATOM 545 CE MET A 401 -1.657 1.782 -11.191 1.00 0.00 C ATOM 0 H MET A 401 -1.715 -4.691 -10.484 1.00 0.00 H new ATOM 0 HA MET A 401 -1.724 -2.441 -12.328 1.00 0.00 H new ATOM 0 HB2 MET A 401 -2.909 -2.799 -9.959 1.00 0.00 H new ATOM 0 HB3 MET A 401 -1.372 -2.218 -9.349 1.00 0.00 H new ATOM 0 HG2 MET A 401 -2.776 -0.670 -11.518 1.00 0.00 H new ATOM 0 HG3 MET A 401 -3.347 -0.544 -9.866 1.00 0.00 H new ATOM 0 HE1 MET A 401 -0.949 2.603 -11.083 1.00 0.00 H new ATOM 0 HE2 MET A 401 -1.662 1.441 -12.226 1.00 0.00 H new ATOM 0 HE3 MET A 401 -2.655 2.125 -10.917 1.00 0.00 H new ATOM 555 N VAL A 402 0.948 -3.197 -12.196 1.00 0.00 N ATOM 556 CA VAL A 402 2.390 -2.985 -12.244 1.00 0.00 C ATOM 557 C VAL A 402 2.876 -2.836 -13.681 1.00 0.00 C ATOM 558 O VAL A 402 3.565 -1.874 -14.017 1.00 0.00 O ATOM 559 CB VAL A 402 3.150 -4.145 -11.574 1.00 0.00 C ATOM 560 CG1 VAL A 402 4.650 -3.979 -11.762 1.00 0.00 C ATOM 561 CG2 VAL A 402 2.795 -4.231 -10.097 1.00 0.00 C ATOM 0 H VAL A 402 0.601 -3.889 -12.861 1.00 0.00 H new ATOM 0 HA VAL A 402 2.593 -2.064 -11.698 1.00 0.00 H new ATOM 0 HB VAL A 402 2.850 -5.078 -12.051 1.00 0.00 H new ATOM 0 HG11 VAL A 402 5.171 -4.808 -11.282 1.00 0.00 H new ATOM 0 HG12 VAL A 402 4.885 -3.971 -12.826 1.00 0.00 H new ATOM 0 HG13 VAL A 402 4.971 -3.039 -11.312 1.00 0.00 H new ATOM 0 HG21 VAL A 402 3.341 -5.056 -9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 402 3.066 -3.298 -9.603 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.724 -4.401 -9.990 1.00 0.00 H new ATOM 571 N GLU A 403 2.512 -3.796 -14.526 1.00 0.00 N ATOM 572 CA GLU A 403 2.912 -3.772 -15.928 1.00 0.00 C ATOM 573 C GLU A 403 2.281 -2.587 -16.653 1.00 0.00 C ATOM 574 O GLU A 403 1.063 -2.523 -16.819 1.00 0.00 O ATOM 575 CB GLU A 403 2.513 -5.078 -16.618 1.00 0.00 C ATOM 576 CG GLU A 403 1.037 -5.412 -16.480 1.00 0.00 C ATOM 577 CD GLU A 403 0.679 -6.742 -17.114 1.00 0.00 C ATOM 578 OE1 GLU A 403 1.504 -7.676 -17.039 1.00 0.00 O ATOM 579 OE2 GLU A 403 -0.426 -6.849 -17.686 1.00 0.00 O ATOM 0 H GLU A 403 1.941 -4.600 -14.264 1.00 0.00 H new ATOM 0 HA GLU A 403 3.996 -3.665 -15.968 1.00 0.00 H new ATOM 0 HB2 GLU A 403 2.765 -5.012 -17.676 1.00 0.00 H new ATOM 0 HB3 GLU A 403 3.102 -5.895 -16.201 1.00 0.00 H new ATOM 0 HG2 GLU A 403 0.770 -5.434 -15.423 1.00 0.00 H new ATOM 0 HG3 GLU A 403 0.445 -4.622 -16.942 1.00 0.00 H new ATOM 586 N TYR A 404 3.119 -1.649 -17.082 1.00 0.00 N ATOM 587 CA TYR A 404 2.645 -0.465 -17.787 1.00 0.00 C ATOM 588 C TYR A 404 3.095 -0.481 -19.244 1.00 0.00 C ATOM 589 O TYR A 404 4.252 -0.196 -19.551 1.00 0.00 O ATOM 590 CB TYR A 404 3.154 0.802 -17.098 1.00 0.00 C ATOM 591 CG TYR A 404 2.418 2.056 -17.514 1.00 0.00 C ATOM 592 CD1 TYR A 404 1.107 2.280 -17.112 1.00 0.00 C ATOM 593 CD2 TYR A 404 3.033 3.016 -18.307 1.00 0.00 C ATOM 594 CE1 TYR A 404 0.430 3.424 -17.490 1.00 0.00 C ATOM 595 CE2 TYR A 404 2.364 4.163 -18.688 1.00 0.00 C ATOM 596 CZ TYR A 404 1.063 4.362 -18.278 1.00 0.00 C ATOM 597 OH TYR A 404 0.392 5.503 -18.655 1.00 0.00 O ATOM 0 H TYR A 404 4.130 -1.686 -16.953 1.00 0.00 H new ATOM 0 HA TYR A 404 1.555 -0.471 -17.763 1.00 0.00 H new ATOM 0 HB2 TYR A 404 3.064 0.679 -16.019 1.00 0.00 H new ATOM 0 HB3 TYR A 404 4.215 0.924 -17.318 1.00 0.00 H new ATOM 0 HD1 TYR A 404 0.609 1.548 -16.494 1.00 0.00 H new ATOM 0 HD2 TYR A 404 4.052 2.863 -18.631 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -0.589 3.582 -17.170 1.00 0.00 H new ATOM 0 HE2 TYR A 404 2.858 4.900 -19.304 1.00 0.00 H new ATOM 0 HH TYR A 404 0.979 6.061 -19.207 1.00 0.00 H new ATOM 607 N GLN A 405 2.170 -0.815 -20.139 1.00 0.00 N ATOM 608 CA GLN A 405 2.471 -0.869 -21.564 1.00 0.00 C ATOM 609 C GLN A 405 1.608 0.121 -22.340 1.00 0.00 C ATOM 610 O GLN A 405 0.437 0.324 -22.019 1.00 0.00 O ATOM 611 CB GLN A 405 2.251 -2.284 -22.101 1.00 0.00 C ATOM 612 CG GLN A 405 3.156 -2.639 -23.269 1.00 0.00 C ATOM 613 CD GLN A 405 4.613 -2.751 -22.866 1.00 0.00 C ATOM 614 OE1 GLN A 405 5.003 -2.323 -21.779 1.00 0.00 O ATOM 615 NE2 GLN A 405 5.428 -3.327 -23.742 1.00 0.00 N ATOM 0 H GLN A 405 1.207 -1.052 -19.902 1.00 0.00 H new ATOM 0 HA GLN A 405 3.518 -0.596 -21.699 1.00 0.00 H new ATOM 0 HB2 GLN A 405 2.415 -2.999 -21.295 1.00 0.00 H new ATOM 0 HB3 GLN A 405 1.212 -2.388 -22.413 1.00 0.00 H new ATOM 0 HG2 GLN A 405 2.829 -3.584 -23.702 1.00 0.00 H new ATOM 0 HG3 GLN A 405 3.055 -1.881 -24.045 1.00 0.00 H new ATOM 0 HE21 GLN A 405 5.062 -3.668 -24.631 1.00 0.00 H new ATOM 0 HE22 GLN A 405 6.420 -3.429 -23.526 1.00 0.00 H new ATOM 624 N SER A 406 2.194 0.735 -23.363 1.00 0.00 N ATOM 625 CA SER A 406 1.480 1.707 -24.182 1.00 0.00 C ATOM 626 C SER A 406 0.558 1.007 -25.176 1.00 0.00 C ATOM 627 O SER A 406 1.004 0.509 -26.209 1.00 0.00 O ATOM 628 CB SER A 406 2.472 2.601 -24.931 1.00 0.00 C ATOM 629 OG SER A 406 3.428 1.825 -25.633 1.00 0.00 O ATOM 0 H SER A 406 3.162 0.576 -23.644 1.00 0.00 H new ATOM 0 HA SER A 406 0.872 2.325 -23.522 1.00 0.00 H new ATOM 0 HB2 SER A 406 1.934 3.241 -25.630 1.00 0.00 H new ATOM 0 HB3 SER A 406 2.980 3.258 -24.225 1.00 0.00 H new ATOM 0 HG SER A 406 2.970 1.125 -26.143 1.00 0.00 H new ATOM 635 N GLY A 407 -0.732 0.974 -24.855 1.00 0.00 N ATOM 636 CA GLY A 407 -1.697 0.333 -25.728 1.00 0.00 C ATOM 637 C GLY A 407 -3.060 0.995 -25.670 1.00 0.00 C ATOM 638 O GLY A 407 -3.194 2.156 -25.282 1.00 0.00 O ATOM 0 H GLY A 407 -1.125 1.380 -24.006 1.00 0.00 H new ATOM 0 HA2 GLY A 407 -1.328 0.358 -26.753 1.00 0.00 H new ATOM 0 HA3 GLY A 407 -1.794 -0.716 -25.449 1.00 0.00 H new ATOM 642 N PRO A 408 -4.102 0.248 -26.064 1.00 0.00 N ATOM 643 CA PRO A 408 -3.954 -1.135 -26.529 1.00 0.00 C ATOM 644 C PRO A 408 -3.255 -1.220 -27.881 1.00 0.00 C ATOM 645 O PRO A 408 -3.505 -0.409 -28.772 1.00 0.00 O ATOM 646 CB PRO A 408 -5.399 -1.627 -26.641 1.00 0.00 C ATOM 647 CG PRO A 408 -6.205 -0.393 -26.854 1.00 0.00 C ATOM 648 CD PRO A 408 -5.505 0.696 -26.088 1.00 0.00 C ATOM 0 HA PRO A 408 -3.338 -1.729 -25.854 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -5.516 -2.324 -27.470 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -5.710 -2.151 -25.737 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -6.268 -0.146 -27.914 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -7.226 -0.527 -26.497 1.00 0.00 H new ATOM 0 HD2 PRO A 408 -5.610 1.664 -26.579 1.00 0.00 H new ATOM 0 HD3 PRO A 408 -5.910 0.804 -25.082 1.00 0.00 H new ATOM 656 N SER A 409 -2.379 -2.209 -28.027 1.00 0.00 N ATOM 657 CA SER A 409 -1.641 -2.398 -29.271 1.00 0.00 C ATOM 658 C SER A 409 -2.246 -3.531 -30.095 1.00 0.00 C ATOM 659 O SER A 409 -2.952 -4.390 -29.565 1.00 0.00 O ATOM 660 CB SER A 409 -0.170 -2.698 -28.975 1.00 0.00 C ATOM 661 OG SER A 409 0.591 -1.504 -28.914 1.00 0.00 O ATOM 0 H SER A 409 -2.163 -2.891 -27.300 1.00 0.00 H new ATOM 0 HA SER A 409 -1.708 -1.476 -29.848 1.00 0.00 H new ATOM 0 HB2 SER A 409 -0.088 -3.234 -28.030 1.00 0.00 H new ATOM 0 HB3 SER A 409 0.234 -3.352 -29.748 1.00 0.00 H new ATOM 0 HG SER A 409 1.527 -1.722 -28.722 1.00 0.00 H new ATOM 667 N SER A 410 -1.965 -3.525 -31.394 1.00 0.00 N ATOM 668 CA SER A 410 -2.485 -4.548 -32.293 1.00 0.00 C ATOM 669 C SER A 410 -1.346 -5.298 -32.978 1.00 0.00 C ATOM 670 O SER A 410 -0.766 -4.814 -33.949 1.00 0.00 O ATOM 671 CB SER A 410 -3.401 -3.917 -33.344 1.00 0.00 C ATOM 672 OG SER A 410 -4.398 -3.116 -32.735 1.00 0.00 O ATOM 0 H SER A 410 -1.380 -2.823 -31.847 1.00 0.00 H new ATOM 0 HA SER A 410 -3.061 -5.259 -31.701 1.00 0.00 H new ATOM 0 HB2 SER A 410 -2.810 -3.309 -34.029 1.00 0.00 H new ATOM 0 HB3 SER A 410 -3.872 -4.700 -33.938 1.00 0.00 H new ATOM 0 HG SER A 410 -4.969 -2.723 -33.427 1.00 0.00 H new ATOM 678 N GLY A 411 -1.033 -6.484 -32.465 1.00 0.00 N ATOM 679 CA GLY A 411 0.035 -7.282 -33.039 1.00 0.00 C ATOM 680 C GLY A 411 0.443 -8.434 -32.142 1.00 0.00 C ATOM 681 O GLY A 411 0.589 -9.566 -32.602 1.00 0.00 O ATOM 0 H GLY A 411 -1.500 -6.906 -31.662 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -0.286 -7.673 -34.004 1.00 0.00 H new ATOM 0 HA3 GLY A 411 0.900 -6.646 -33.225 1.00 0.00 H new TER 685 GLY A 411 HETATM 686 ZN ZN A 201 -1.091 -4.661 -1.718 1.00 0.00 ZN