USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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 Set 1.1: A 391 GLN : amide:sc= -0.163 X(o=-0.9,f=-0.59) USER MOD Set 1.2: A 395 GLN : amide:sc= -0.737 K(o=-0.9,f=-2.8!) USER MOD Set 2.1: A 376 THR OG1 : rot 58:sc= 0.0371 USER MOD Set 2.2: A 431 GLN : amide:sc= -1.92 K(o=-1.9,f=-2.7!) USER MOD Single : A 379 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ -157:sc=-0.00097 (180deg=-0.3) USER MOD Single : A 382 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 385 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 389 LYS NZ :NH3+ 151:sc= -0.167 (180deg=-0.703) USER MOD Single : A 392 TYR OH : rot 55:sc= 0.319 USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 407 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 MET CE :methyl 166:sc= -0.5 (180deg=-0.89) USER MOD Single : A 417 THR OG1 : rot 77:sc= 0.346 USER MOD Single : A 418 LYS NZ :NH3+ -163:sc=-0.00497 (180deg=-0.0959) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.359 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.8!) USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 LYS NZ :NH3+ 160:sc= -0.0228 (180deg=-0.202) USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 376 4.552 24.534 0.708 1.00 0.00 N ATOM 2 CA THR A 376 4.559 23.107 1.020 1.00 0.00 C ATOM 3 C THR A 376 3.138 22.541 1.049 1.00 0.00 C ATOM 4 O THR A 376 2.565 22.326 2.117 1.00 0.00 O ATOM 5 CB THR A 376 5.258 22.854 2.362 1.00 0.00 C ATOM 6 OG1 THR A 376 4.400 23.148 3.457 1.00 0.00 O ATOM 7 CG2 THR A 376 6.521 23.668 2.541 1.00 0.00 C ATOM 0 HA THR A 376 5.112 22.595 0.233 1.00 0.00 H new ATOM 0 HB THR A 376 5.519 21.796 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 376 3.589 22.602 3.393 1.00 0.00 H new ATOM 0 HG21 THR A 376 6.965 23.442 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 376 7.229 23.420 1.750 1.00 0.00 H new ATOM 0 HG23 THR A 376 6.280 24.730 2.492 1.00 0.00 H new ATOM 15 N PRO A 377 2.550 22.289 -0.134 1.00 0.00 N ATOM 16 CA PRO A 377 1.194 21.743 -0.242 1.00 0.00 C ATOM 17 C PRO A 377 0.987 20.524 0.656 1.00 0.00 C ATOM 18 O PRO A 377 1.474 19.433 0.353 1.00 0.00 O ATOM 19 CB PRO A 377 1.090 21.348 -1.714 1.00 0.00 C ATOM 20 CG PRO A 377 2.031 22.263 -2.417 1.00 0.00 C ATOM 21 CD PRO A 377 3.163 22.513 -1.457 1.00 0.00 C ATOM 0 HA PRO A 377 0.437 22.460 0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 377 1.366 20.304 -1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 377 0.072 21.466 -2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 377 2.395 21.813 -3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 377 1.537 23.196 -2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 377 3.996 21.833 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 377 3.553 23.526 -1.552 1.00 0.00 H new ATOM 29 N PRO A 378 0.265 20.689 1.778 1.00 0.00 N ATOM 30 CA PRO A 378 0.006 19.593 2.717 1.00 0.00 C ATOM 31 C PRO A 378 -0.949 18.550 2.150 1.00 0.00 C ATOM 32 O PRO A 378 -2.154 18.597 2.394 1.00 0.00 O ATOM 33 CB PRO A 378 -0.624 20.296 3.921 1.00 0.00 C ATOM 34 CG PRO A 378 -1.238 21.531 3.360 1.00 0.00 C ATOM 35 CD PRO A 378 -0.352 21.955 2.223 1.00 0.00 C ATOM 0 HA PRO A 378 0.916 19.042 2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -1.372 19.665 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 378 0.125 20.534 4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -2.253 21.339 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -1.303 22.313 4.117 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -0.923 22.426 1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 378 0.399 22.676 2.546 1.00 0.00 H new ATOM 43 N SER A 379 -0.399 17.604 1.397 1.00 0.00 N ATOM 44 CA SER A 379 -1.197 16.540 0.798 1.00 0.00 C ATOM 45 C SER A 379 -1.032 15.230 1.570 1.00 0.00 C ATOM 46 O SER A 379 -1.519 14.184 1.142 1.00 0.00 O ATOM 47 CB SER A 379 -0.796 16.337 -0.663 1.00 0.00 C ATOM 48 OG SER A 379 -1.407 17.306 -1.500 1.00 0.00 O ATOM 0 H SER A 379 0.598 17.552 1.186 1.00 0.00 H new ATOM 0 HA SER A 379 -2.245 16.837 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 379 0.288 16.401 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 379 -1.086 15.337 -0.987 1.00 0.00 H new ATOM 0 HG SER A 379 -1.133 17.155 -2.429 1.00 0.00 H new ATOM 54 N ILE A 380 -0.343 15.294 2.710 1.00 0.00 N ATOM 55 CA ILE A 380 -0.112 14.114 3.540 1.00 0.00 C ATOM 56 C ILE A 380 -1.394 13.310 3.750 1.00 0.00 C ATOM 57 O ILE A 380 -1.349 12.097 3.955 1.00 0.00 O ATOM 58 CB ILE A 380 0.466 14.512 4.915 1.00 0.00 C ATOM 59 CG1 ILE A 380 0.818 13.266 5.731 1.00 0.00 C ATOM 60 CG2 ILE A 380 -0.521 15.387 5.676 1.00 0.00 C ATOM 61 CD1 ILE A 380 2.073 12.568 5.253 1.00 0.00 C ATOM 0 H ILE A 380 0.065 16.153 3.079 1.00 0.00 H new ATOM 0 HA ILE A 380 0.607 13.491 3.009 1.00 0.00 H new ATOM 0 HB ILE A 380 1.379 15.085 4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 380 0.944 13.549 6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 380 -0.016 12.566 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 380 -0.097 15.658 6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 380 -0.723 16.291 5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 380 -1.451 14.839 5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 380 2.263 11.694 5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 380 1.943 12.254 4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 380 2.918 13.253 5.321 1.00 0.00 H new ATOM 73 N LYS A 381 -2.535 13.992 3.698 1.00 0.00 N ATOM 74 CA LYS A 381 -3.830 13.342 3.885 1.00 0.00 C ATOM 75 C LYS A 381 -3.934 12.063 3.057 1.00 0.00 C ATOM 76 O LYS A 381 -4.250 10.995 3.583 1.00 0.00 O ATOM 77 CB LYS A 381 -4.962 14.300 3.510 1.00 0.00 C ATOM 78 CG LYS A 381 -6.167 14.208 4.431 1.00 0.00 C ATOM 79 CD LYS A 381 -5.848 14.736 5.820 1.00 0.00 C ATOM 80 CE LYS A 381 -6.075 16.237 5.911 1.00 0.00 C ATOM 81 NZ LYS A 381 -4.806 17.001 5.752 1.00 0.00 N ATOM 0 H LYS A 381 -2.590 14.996 3.528 1.00 0.00 H new ATOM 0 HA LYS A 381 -3.920 13.073 4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -4.582 15.321 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -5.279 14.092 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -6.995 14.775 4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -6.494 13.171 4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -6.471 14.227 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -4.811 14.508 6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -6.783 16.545 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -6.526 16.478 6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -4.908 17.938 6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -4.030 16.485 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -4.593 17.113 4.740 1.00 0.00 H new ATOM 95 N LYS A 382 -3.668 12.178 1.760 1.00 0.00 N ATOM 96 CA LYS A 382 -3.735 11.028 0.864 1.00 0.00 C ATOM 97 C LYS A 382 -2.736 9.953 1.281 1.00 0.00 C ATOM 98 O LYS A 382 -3.006 8.759 1.144 1.00 0.00 O ATOM 99 CB LYS A 382 -3.475 11.457 -0.581 1.00 0.00 C ATOM 100 CG LYS A 382 -2.057 11.943 -0.830 1.00 0.00 C ATOM 101 CD LYS A 382 -2.034 13.146 -1.759 1.00 0.00 C ATOM 102 CE LYS A 382 -2.482 12.773 -3.164 1.00 0.00 C ATOM 103 NZ LYS A 382 -3.253 13.869 -3.811 1.00 0.00 N ATOM 0 H LYS A 382 -3.405 13.053 1.306 1.00 0.00 H new ATOM 0 HA LYS A 382 -4.739 10.609 0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 382 -3.683 10.616 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 382 -4.173 12.251 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 382 -1.590 12.206 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 382 -1.466 11.136 -1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 382 -2.685 13.925 -1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 382 -1.026 13.560 -1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 382 -1.609 12.535 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 382 -3.096 11.873 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 -3.540 13.575 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 -4.100 14.079 -3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 -2.659 14.720 -3.875 1.00 0.00 H new ATOM 117 N ILE A 383 -1.587 10.380 1.799 1.00 0.00 N ATOM 118 CA ILE A 383 -0.558 9.447 2.240 1.00 0.00 C ATOM 119 C ILE A 383 -1.038 8.652 3.450 1.00 0.00 C ATOM 120 O ILE A 383 -0.805 7.447 3.549 1.00 0.00 O ATOM 121 CB ILE A 383 0.752 10.178 2.594 1.00 0.00 C ATOM 122 CG1 ILE A 383 1.134 11.154 1.479 1.00 0.00 C ATOM 123 CG2 ILE A 383 1.869 9.174 2.835 1.00 0.00 C ATOM 124 CD1 ILE A 383 2.451 11.861 1.716 1.00 0.00 C ATOM 0 H ILE A 383 -1.347 11.364 1.923 1.00 0.00 H new ATOM 0 HA ILE A 383 -0.362 8.765 1.412 1.00 0.00 H new ATOM 0 HB ILE A 383 0.598 10.747 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 383 1.188 10.611 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 383 0.345 11.899 1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 383 2.788 9.705 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 383 1.595 8.516 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 383 2.025 8.581 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 383 2.656 12.536 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 383 2.396 12.432 2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 383 3.251 11.124 1.791 1.00 0.00 H new ATOM 136 N ILE A 384 -1.724 9.334 4.362 1.00 0.00 N ATOM 137 CA ILE A 384 -2.250 8.688 5.555 1.00 0.00 C ATOM 138 C ILE A 384 -3.342 7.693 5.178 1.00 0.00 C ATOM 139 O ILE A 384 -3.390 6.577 5.698 1.00 0.00 O ATOM 140 CB ILE A 384 -2.824 9.715 6.551 1.00 0.00 C ATOM 141 CG1 ILE A 384 -1.794 10.811 6.837 1.00 0.00 C ATOM 142 CG2 ILE A 384 -3.243 9.028 7.842 1.00 0.00 C ATOM 143 CD1 ILE A 384 -2.413 12.117 7.286 1.00 0.00 C ATOM 0 H ILE A 384 -1.927 10.331 4.296 1.00 0.00 H new ATOM 0 HA ILE A 384 -1.422 8.167 6.035 1.00 0.00 H new ATOM 0 HB ILE A 384 -3.706 10.175 6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 384 -1.106 10.460 7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 384 -1.204 10.988 5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 384 -3.646 9.768 8.534 1.00 0.00 H new ATOM 0 HG22 ILE A 384 -4.006 8.280 7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 384 -2.378 8.543 8.293 1.00 0.00 H new ATOM 0 HD11 ILE A 384 -1.626 12.848 7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 384 -3.079 12.490 6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 384 -2.980 11.955 8.203 1.00 0.00 H new ATOM 155 N HIS A 385 -4.210 8.105 4.259 1.00 0.00 N ATOM 156 CA HIS A 385 -5.296 7.250 3.798 1.00 0.00 C ATOM 157 C HIS A 385 -4.741 5.964 3.195 1.00 0.00 C ATOM 158 O HIS A 385 -5.126 4.862 3.590 1.00 0.00 O ATOM 159 CB HIS A 385 -6.153 7.984 2.764 1.00 0.00 C ATOM 160 CG HIS A 385 -7.215 8.845 3.374 1.00 0.00 C ATOM 161 ND1 HIS A 385 -8.339 8.334 3.988 1.00 0.00 N ATOM 162 CD2 HIS A 385 -7.322 10.193 3.460 1.00 0.00 C ATOM 163 CE1 HIS A 385 -9.091 9.329 4.426 1.00 0.00 C ATOM 164 NE2 HIS A 385 -8.496 10.466 4.119 1.00 0.00 N ATOM 0 H HIS A 385 -4.182 9.025 3.820 1.00 0.00 H new ATOM 0 HA HIS A 385 -5.920 6.997 4.655 1.00 0.00 H new ATOM 0 HB2 HIS A 385 -5.507 8.603 2.142 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -6.622 7.252 2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 385 -6.616 10.917 3.081 1.00 0.00 H new ATOM 0 HE1 HIS A 385 -10.032 9.228 4.946 1.00 0.00 H new ATOM 0 HE2 HIS A 385 -8.851 11.397 4.336 1.00 0.00 H new ATOM 173 N VAL A 386 -3.823 6.113 2.243 1.00 0.00 N ATOM 174 CA VAL A 386 -3.207 4.960 1.598 1.00 0.00 C ATOM 175 C VAL A 386 -2.495 4.093 2.627 1.00 0.00 C ATOM 176 O VAL A 386 -2.530 2.864 2.550 1.00 0.00 O ATOM 177 CB VAL A 386 -2.204 5.384 0.507 1.00 0.00 C ATOM 178 CG1 VAL A 386 -2.918 6.114 -0.621 1.00 0.00 C ATOM 179 CG2 VAL A 386 -1.101 6.249 1.098 1.00 0.00 C ATOM 0 H VAL A 386 -3.492 7.016 1.904 1.00 0.00 H new ATOM 0 HA VAL A 386 -4.007 4.389 1.126 1.00 0.00 H new ATOM 0 HB VAL A 386 -1.745 4.485 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 386 -2.194 6.405 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 386 -3.665 5.456 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 386 -3.407 7.004 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 386 -0.404 6.537 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 386 -1.538 7.144 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 386 -0.569 5.687 1.866 1.00 0.00 H new ATOM 189 N LEU A 387 -1.861 4.741 3.603 1.00 0.00 N ATOM 190 CA LEU A 387 -1.154 4.025 4.658 1.00 0.00 C ATOM 191 C LEU A 387 -2.103 3.072 5.376 1.00 0.00 C ATOM 192 O LEU A 387 -1.820 1.881 5.515 1.00 0.00 O ATOM 193 CB LEU A 387 -0.546 5.012 5.657 1.00 0.00 C ATOM 194 CG LEU A 387 0.868 5.489 5.317 1.00 0.00 C ATOM 195 CD1 LEU A 387 1.246 6.689 6.172 1.00 0.00 C ATOM 196 CD2 LEU A 387 1.870 4.359 5.507 1.00 0.00 C ATOM 0 H LEU A 387 -1.824 5.757 3.683 1.00 0.00 H new ATOM 0 HA LEU A 387 -0.349 3.446 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 387 -1.199 5.882 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 387 -0.529 4.545 6.642 1.00 0.00 H new ATOM 0 HG LEU A 387 0.888 5.794 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 387 2.254 7.015 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 387 0.544 7.503 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 387 1.210 6.411 7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 387 2.871 4.715 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 387 1.849 4.024 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 387 1.609 3.528 4.852 1.00 0.00 H new ATOM 208 N GLU A 388 -3.241 3.603 5.819 1.00 0.00 N ATOM 209 CA GLU A 388 -4.240 2.795 6.506 1.00 0.00 C ATOM 210 C GLU A 388 -4.705 1.657 5.607 1.00 0.00 C ATOM 211 O GLU A 388 -4.811 0.508 6.042 1.00 0.00 O ATOM 212 CB GLU A 388 -5.433 3.660 6.918 1.00 0.00 C ATOM 213 CG GLU A 388 -5.101 4.682 7.995 1.00 0.00 C ATOM 214 CD GLU A 388 -4.996 4.062 9.373 1.00 0.00 C ATOM 215 OE1 GLU A 388 -6.032 3.606 9.900 1.00 0.00 O ATOM 216 OE2 GLU A 388 -3.876 4.033 9.926 1.00 0.00 O ATOM 0 H GLU A 388 -3.491 4.586 5.714 1.00 0.00 H new ATOM 0 HA GLU A 388 -3.788 2.373 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.814 4.181 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.233 3.013 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.159 5.172 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.869 5.455 8.006 1.00 0.00 H new ATOM 223 N LYS A 389 -4.966 1.983 4.343 1.00 0.00 N ATOM 224 CA LYS A 389 -5.404 0.988 3.373 1.00 0.00 C ATOM 225 C LYS A 389 -4.376 -0.135 3.274 1.00 0.00 C ATOM 226 O LYS A 389 -4.728 -1.313 3.225 1.00 0.00 O ATOM 227 CB LYS A 389 -5.614 1.635 2.002 1.00 0.00 C ATOM 228 CG LYS A 389 -6.878 1.168 1.298 1.00 0.00 C ATOM 229 CD LYS A 389 -6.714 -0.232 0.727 1.00 0.00 C ATOM 230 CE LYS A 389 -7.338 -1.278 1.636 1.00 0.00 C ATOM 231 NZ LYS A 389 -8.807 -1.084 1.782 1.00 0.00 N ATOM 0 H LYS A 389 -4.881 2.928 3.969 1.00 0.00 H new ATOM 0 HA LYS A 389 -6.353 0.569 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -5.654 2.718 2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -4.753 1.416 1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -7.712 1.180 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -7.126 1.862 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -7.177 -0.281 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -5.655 -0.450 0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -7.142 -2.272 1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -6.867 -1.233 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -9.262 -2.002 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -8.995 -0.444 2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -9.191 -0.670 0.908 1.00 0.00 H new ATOM 245 N VAL A 390 -3.101 0.244 3.262 1.00 0.00 N ATOM 246 CA VAL A 390 -2.020 -0.727 3.188 1.00 0.00 C ATOM 247 C VAL A 390 -2.019 -1.609 4.429 1.00 0.00 C ATOM 248 O VAL A 390 -1.790 -2.816 4.346 1.00 0.00 O ATOM 249 CB VAL A 390 -0.646 -0.039 3.055 1.00 0.00 C ATOM 250 CG1 VAL A 390 0.453 -1.072 2.847 1.00 0.00 C ATOM 251 CG2 VAL A 390 -0.661 0.973 1.917 1.00 0.00 C ATOM 0 H VAL A 390 -2.794 1.216 3.303 1.00 0.00 H new ATOM 0 HA VAL A 390 -2.189 -1.336 2.300 1.00 0.00 H new ATOM 0 HB VAL A 390 -0.438 0.496 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 390 1.415 -0.567 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 390 0.480 -1.751 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 390 0.253 -1.638 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 390 0.317 1.448 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -0.893 0.465 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -1.418 1.732 2.115 1.00 0.00 H new ATOM 261 N GLN A 391 -2.290 -0.997 5.580 1.00 0.00 N ATOM 262 CA GLN A 391 -2.335 -1.729 6.840 1.00 0.00 C ATOM 263 C GLN A 391 -3.378 -2.838 6.770 1.00 0.00 C ATOM 264 O GLN A 391 -3.078 -4.005 7.027 1.00 0.00 O ATOM 265 CB GLN A 391 -2.656 -0.781 7.997 1.00 0.00 C ATOM 266 CG GLN A 391 -2.154 -1.274 9.345 1.00 0.00 C ATOM 267 CD GLN A 391 -3.149 -1.029 10.462 1.00 0.00 C ATOM 268 OE1 GLN A 391 -3.277 0.088 10.961 1.00 0.00 O ATOM 269 NE2 GLN A 391 -3.861 -2.076 10.861 1.00 0.00 N ATOM 0 H GLN A 391 -2.481 0.001 5.664 1.00 0.00 H new ATOM 0 HA GLN A 391 -1.356 -2.176 7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 391 -2.216 0.194 7.789 1.00 0.00 H new ATOM 0 HB3 GLN A 391 -3.735 -0.639 8.050 1.00 0.00 H new ATOM 0 HG2 GLN A 391 -1.940 -2.341 9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 391 -1.215 -0.775 9.584 1.00 0.00 H new ATOM 0 HE21 GLN A 391 -3.723 -2.985 10.419 1.00 0.00 H new ATOM 0 HE22 GLN A 391 -4.546 -1.971 11.609 1.00 0.00 H new ATOM 278 N TYR A 392 -4.603 -2.468 6.402 1.00 0.00 N ATOM 279 CA TYR A 392 -5.686 -3.437 6.281 1.00 0.00 C ATOM 280 C TYR A 392 -5.293 -4.544 5.309 1.00 0.00 C ATOM 281 O TYR A 392 -5.421 -5.732 5.610 1.00 0.00 O ATOM 282 CB TYR A 392 -6.968 -2.752 5.805 1.00 0.00 C ATOM 283 CG TYR A 392 -7.260 -1.450 6.518 1.00 0.00 C ATOM 284 CD1 TYR A 392 -7.108 -1.341 7.895 1.00 0.00 C ATOM 285 CD2 TYR A 392 -7.687 -0.331 5.814 1.00 0.00 C ATOM 286 CE1 TYR A 392 -7.375 -0.155 8.550 1.00 0.00 C ATOM 287 CE2 TYR A 392 -7.956 0.860 6.462 1.00 0.00 C ATOM 288 CZ TYR A 392 -7.799 0.942 7.830 1.00 0.00 C ATOM 289 OH TYR A 392 -8.065 2.127 8.479 1.00 0.00 O ATOM 0 H TYR A 392 -4.868 -1.508 6.184 1.00 0.00 H new ATOM 0 HA TYR A 392 -5.870 -3.875 7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -6.892 -2.561 4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -7.808 -3.432 5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -6.776 -2.198 8.462 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -7.811 -0.393 4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -7.252 -0.087 9.621 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -8.287 1.721 5.901 1.00 0.00 H new ATOM 0 HH TYR A 392 -7.281 2.397 9.001 1.00 0.00 H new ATOM 299 N LEU A 393 -4.794 -4.140 4.142 1.00 0.00 N ATOM 300 CA LEU A 393 -4.360 -5.091 3.130 1.00 0.00 C ATOM 301 C LEU A 393 -3.249 -5.975 3.688 1.00 0.00 C ATOM 302 O LEU A 393 -3.231 -7.184 3.464 1.00 0.00 O ATOM 303 CB LEU A 393 -3.876 -4.356 1.876 1.00 0.00 C ATOM 304 CG LEU A 393 -4.850 -4.380 0.693 1.00 0.00 C ATOM 305 CD1 LEU A 393 -5.010 -2.986 0.103 1.00 0.00 C ATOM 306 CD2 LEU A 393 -4.379 -5.360 -0.374 1.00 0.00 C ATOM 0 H LEU A 393 -4.682 -3.161 3.878 1.00 0.00 H new ATOM 0 HA LEU A 393 -5.207 -5.720 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 393 -3.672 -3.318 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 393 -2.931 -4.796 1.558 1.00 0.00 H new ATOM 0 HG LEU A 393 -5.821 -4.713 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 393 -5.705 -3.023 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 393 -5.397 -2.310 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 393 -4.042 -2.624 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 393 -5.085 -5.361 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 393 -3.395 -5.060 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 393 -4.319 -6.361 0.053 1.00 0.00 H new ATOM 318 N GLU A 394 -2.330 -5.357 4.426 1.00 0.00 N ATOM 319 CA GLU A 394 -1.217 -6.080 5.035 1.00 0.00 C ATOM 320 C GLU A 394 -1.730 -7.187 5.947 1.00 0.00 C ATOM 321 O GLU A 394 -1.187 -8.291 5.972 1.00 0.00 O ATOM 322 CB GLU A 394 -0.330 -5.119 5.828 1.00 0.00 C ATOM 323 CG GLU A 394 1.044 -5.682 6.147 1.00 0.00 C ATOM 324 CD GLU A 394 2.140 -4.637 6.048 1.00 0.00 C ATOM 325 OE1 GLU A 394 2.054 -3.772 5.151 1.00 0.00 O ATOM 326 OE2 GLU A 394 3.082 -4.686 6.865 1.00 0.00 O ATOM 0 H GLU A 394 -2.335 -4.355 4.617 1.00 0.00 H new ATOM 0 HA GLU A 394 -0.626 -6.532 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -0.212 -4.195 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -0.832 -4.859 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 394 1.036 -6.101 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 394 1.265 -6.501 5.462 1.00 0.00 H new ATOM 333 N GLN A 395 -2.786 -6.885 6.693 1.00 0.00 N ATOM 334 CA GLN A 395 -3.378 -7.858 7.602 1.00 0.00 C ATOM 335 C GLN A 395 -3.979 -9.023 6.823 1.00 0.00 C ATOM 336 O GLN A 395 -3.633 -10.184 7.055 1.00 0.00 O ATOM 337 CB GLN A 395 -4.454 -7.194 8.464 1.00 0.00 C ATOM 338 CG GLN A 395 -3.922 -6.619 9.765 1.00 0.00 C ATOM 339 CD GLN A 395 -4.638 -5.347 10.177 1.00 0.00 C ATOM 340 OE1 GLN A 395 -4.974 -4.512 9.338 1.00 0.00 O ATOM 341 NE2 GLN A 395 -4.877 -5.196 11.473 1.00 0.00 N ATOM 0 H GLN A 395 -3.249 -5.976 6.686 1.00 0.00 H new ATOM 0 HA GLN A 395 -2.592 -8.242 8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 395 -4.926 -6.396 7.890 1.00 0.00 H new ATOM 0 HB3 GLN A 395 -5.229 -7.926 8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 395 -4.026 -7.362 10.556 1.00 0.00 H new ATOM 0 HG3 GLN A 395 -2.857 -6.414 9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 395 -4.580 -5.915 12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 395 -5.357 -4.361 11.809 1.00 0.00 H new ATOM 350 N GLU A 396 -4.879 -8.707 5.895 1.00 0.00 N ATOM 351 CA GLU A 396 -5.526 -9.731 5.083 1.00 0.00 C ATOM 352 C GLU A 396 -4.507 -10.491 4.239 1.00 0.00 C ATOM 353 O GLU A 396 -4.483 -11.722 4.242 1.00 0.00 O ATOM 354 CB GLU A 396 -6.594 -9.107 4.184 1.00 0.00 C ATOM 355 CG GLU A 396 -6.061 -8.018 3.269 1.00 0.00 C ATOM 356 CD GLU A 396 -7.167 -7.214 2.615 1.00 0.00 C ATOM 357 OE1 GLU A 396 -7.766 -7.713 1.639 1.00 0.00 O ATOM 358 OE2 GLU A 396 -7.435 -6.086 3.078 1.00 0.00 O ATOM 0 H GLU A 396 -5.175 -7.753 5.688 1.00 0.00 H new ATOM 0 HA GLU A 396 -6.004 -10.440 5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 396 -7.048 -9.890 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -7.384 -8.690 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -5.420 -7.348 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -5.439 -8.470 2.496 1.00 0.00 H new ATOM 365 N VAL A 397 -3.665 -9.756 3.514 1.00 0.00 N ATOM 366 CA VAL A 397 -2.651 -10.380 2.671 1.00 0.00 C ATOM 367 C VAL A 397 -1.727 -11.267 3.499 1.00 0.00 C ATOM 368 O VAL A 397 -1.310 -12.336 3.051 1.00 0.00 O ATOM 369 CB VAL A 397 -1.812 -9.333 1.909 1.00 0.00 C ATOM 370 CG1 VAL A 397 -2.712 -8.419 1.094 1.00 0.00 C ATOM 371 CG2 VAL A 397 -0.950 -8.525 2.867 1.00 0.00 C ATOM 0 H VAL A 397 -3.666 -8.736 3.494 1.00 0.00 H new ATOM 0 HA VAL A 397 -3.181 -10.991 1.940 1.00 0.00 H new ATOM 0 HB VAL A 397 -1.149 -9.862 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 397 -2.103 -7.687 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 397 -3.276 -9.012 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 397 -3.403 -7.902 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 397 -0.368 -7.794 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 397 -1.589 -8.008 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 397 -0.274 -9.193 3.401 1.00 0.00 H new ATOM 381 N GLU A 398 -1.419 -10.822 4.714 1.00 0.00 N ATOM 382 CA GLU A 398 -0.555 -11.583 5.607 1.00 0.00 C ATOM 383 C GLU A 398 -1.209 -12.911 5.970 1.00 0.00 C ATOM 384 O GLU A 398 -0.581 -13.965 5.896 1.00 0.00 O ATOM 385 CB GLU A 398 -0.254 -10.780 6.874 1.00 0.00 C ATOM 386 CG GLU A 398 0.609 -11.524 7.880 1.00 0.00 C ATOM 387 CD GLU A 398 -0.203 -12.120 9.015 1.00 0.00 C ATOM 388 OE1 GLU A 398 -1.140 -12.895 8.732 1.00 0.00 O ATOM 389 OE2 GLU A 398 0.100 -11.812 10.187 1.00 0.00 O ATOM 0 H GLU A 398 -1.755 -9.940 5.101 1.00 0.00 H new ATOM 0 HA GLU A 398 0.384 -11.783 5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 398 0.247 -9.853 6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 398 -1.195 -10.504 7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 398 1.152 -12.319 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 398 1.354 -10.842 8.290 1.00 0.00 H new ATOM 396 N GLU A 399 -2.479 -12.848 6.356 1.00 0.00 N ATOM 397 CA GLU A 399 -3.225 -14.047 6.723 1.00 0.00 C ATOM 398 C GLU A 399 -3.726 -14.786 5.480 1.00 0.00 C ATOM 399 O GLU A 399 -4.231 -15.904 5.577 1.00 0.00 O ATOM 400 CB GLU A 399 -4.406 -13.684 7.626 1.00 0.00 C ATOM 401 CG GLU A 399 -5.472 -12.852 6.932 1.00 0.00 C ATOM 402 CD GLU A 399 -6.786 -12.840 7.689 1.00 0.00 C ATOM 403 OE1 GLU A 399 -7.025 -13.777 8.478 1.00 0.00 O ATOM 404 OE2 GLU A 399 -7.576 -11.893 7.491 1.00 0.00 O ATOM 0 H GLU A 399 -3.013 -11.981 6.423 1.00 0.00 H new ATOM 0 HA GLU A 399 -2.550 -14.708 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -4.860 -14.601 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -4.035 -13.135 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -5.113 -11.829 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -5.638 -13.245 5.929 1.00 0.00 H new ATOM 411 N PHE A 400 -3.583 -14.155 4.314 1.00 0.00 N ATOM 412 CA PHE A 400 -4.023 -14.752 3.054 1.00 0.00 C ATOM 413 C PHE A 400 -3.568 -16.206 2.940 1.00 0.00 C ATOM 414 O PHE A 400 -2.629 -16.629 3.615 1.00 0.00 O ATOM 415 CB PHE A 400 -3.486 -13.942 1.872 1.00 0.00 C ATOM 416 CG PHE A 400 -4.311 -14.086 0.626 1.00 0.00 C ATOM 417 CD1 PHE A 400 -5.521 -13.420 0.497 1.00 0.00 C ATOM 418 CD2 PHE A 400 -3.883 -14.893 -0.414 1.00 0.00 C ATOM 419 CE1 PHE A 400 -6.286 -13.561 -0.645 1.00 0.00 C ATOM 420 CE2 PHE A 400 -4.643 -15.037 -1.556 1.00 0.00 C ATOM 421 CZ PHE A 400 -5.844 -14.371 -1.671 1.00 0.00 C ATOM 0 H PHE A 400 -3.165 -13.230 4.217 1.00 0.00 H new ATOM 0 HA PHE A 400 -5.113 -14.736 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 400 -3.444 -12.889 2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 400 -2.464 -14.256 1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 400 -5.869 -12.784 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 400 -2.942 -15.417 -0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 400 -7.227 -13.039 -0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 400 -4.297 -15.671 -2.359 1.00 0.00 H new ATOM 0 HZ PHE A 400 -6.440 -14.483 -2.565 1.00 0.00 H new ATOM 431 N VAL A 401 -4.248 -16.970 2.089 1.00 0.00 N ATOM 432 CA VAL A 401 -3.921 -18.380 1.894 1.00 0.00 C ATOM 433 C VAL A 401 -2.636 -18.551 1.084 1.00 0.00 C ATOM 434 O VAL A 401 -1.734 -19.286 1.487 1.00 0.00 O ATOM 435 CB VAL A 401 -5.072 -19.133 1.195 1.00 0.00 C ATOM 436 CG1 VAL A 401 -5.348 -18.548 -0.181 1.00 0.00 C ATOM 437 CG2 VAL A 401 -4.758 -20.619 1.096 1.00 0.00 C ATOM 0 H VAL A 401 -5.029 -16.637 1.524 1.00 0.00 H new ATOM 0 HA VAL A 401 -3.770 -18.807 2.886 1.00 0.00 H new ATOM 0 HB VAL A 401 -5.972 -19.012 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 401 -6.163 -19.096 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 401 -5.626 -17.499 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 401 -4.452 -18.629 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 401 -5.582 -21.133 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 401 -3.843 -20.760 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 401 -4.624 -21.030 2.097 1.00 0.00 H new ATOM 447 N GLY A 402 -2.556 -17.873 -0.056 1.00 0.00 N ATOM 448 CA GLY A 402 -1.374 -17.969 -0.895 1.00 0.00 C ATOM 449 C GLY A 402 -1.695 -18.376 -2.322 1.00 0.00 C ATOM 450 O GLY A 402 -0.905 -19.062 -2.971 1.00 0.00 O ATOM 0 H GLY A 402 -3.287 -17.259 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 402 -0.861 -17.007 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 402 -0.685 -18.694 -0.462 1.00 0.00 H new ATOM 454 N LYS A 403 -2.854 -17.951 -2.815 1.00 0.00 N ATOM 455 CA LYS A 403 -3.273 -18.272 -4.175 1.00 0.00 C ATOM 456 C LYS A 403 -3.435 -17.001 -5.006 1.00 0.00 C ATOM 457 O LYS A 403 -4.035 -16.028 -4.554 1.00 0.00 O ATOM 458 CB LYS A 403 -4.587 -19.054 -4.156 1.00 0.00 C ATOM 459 CG LYS A 403 -4.669 -20.132 -5.225 1.00 0.00 C ATOM 460 CD LYS A 403 -5.815 -21.093 -4.960 1.00 0.00 C ATOM 461 CE LYS A 403 -5.365 -22.279 -4.122 1.00 0.00 C ATOM 462 NZ LYS A 403 -4.883 -23.406 -4.967 1.00 0.00 N ATOM 0 H LYS A 403 -3.521 -17.383 -2.292 1.00 0.00 H new ATOM 0 HA LYS A 403 -2.499 -18.889 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -4.711 -19.515 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -5.416 -18.359 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -4.801 -19.667 -6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -3.730 -20.684 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -6.620 -20.568 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -6.220 -21.448 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -4.569 -21.965 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -6.193 -22.620 -3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -4.586 -24.194 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -5.650 -23.723 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -4.076 -23.089 -5.541 1.00 0.00 H new ATOM 476 N LYS A 404 -2.891 -17.015 -6.219 1.00 0.00 N ATOM 477 CA LYS A 404 -2.974 -15.860 -7.106 1.00 0.00 C ATOM 478 C LYS A 404 -4.158 -15.973 -8.062 1.00 0.00 C ATOM 479 O LYS A 404 -4.633 -14.970 -8.596 1.00 0.00 O ATOM 480 CB LYS A 404 -1.676 -15.707 -7.902 1.00 0.00 C ATOM 481 CG LYS A 404 -1.211 -16.996 -8.561 1.00 0.00 C ATOM 482 CD LYS A 404 -0.050 -16.749 -9.510 1.00 0.00 C ATOM 483 CE LYS A 404 -0.512 -16.078 -10.793 1.00 0.00 C ATOM 484 NZ LYS A 404 0.586 -15.315 -11.447 1.00 0.00 N ATOM 0 H LYS A 404 -2.389 -17.812 -6.610 1.00 0.00 H new ATOM 0 HA LYS A 404 -3.123 -14.977 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 404 -1.818 -14.947 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 404 -0.892 -15.345 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 404 -0.910 -17.710 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 404 -2.040 -17.446 -9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 404 0.696 -16.123 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 404 0.435 -17.696 -9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 404 -0.890 -16.833 -11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 404 -1.341 -15.405 -10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 0.230 -14.873 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 0.930 -14.577 -10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 1.367 -15.961 -11.681 1.00 0.00 H new ATOM 498 N THR A 405 -4.631 -17.197 -8.279 1.00 0.00 N ATOM 499 CA THR A 405 -5.758 -17.428 -9.177 1.00 0.00 C ATOM 500 C THR A 405 -7.065 -16.957 -8.548 1.00 0.00 C ATOM 501 O THR A 405 -7.993 -16.556 -9.252 1.00 0.00 O ATOM 502 CB THR A 405 -5.855 -18.913 -9.532 1.00 0.00 C ATOM 503 OG1 THR A 405 -6.915 -19.142 -10.444 1.00 0.00 O ATOM 504 CG2 THR A 405 -6.085 -19.802 -8.329 1.00 0.00 C ATOM 0 H THR A 405 -4.253 -18.041 -7.847 1.00 0.00 H new ATOM 0 HA THR A 405 -5.589 -16.852 -10.087 1.00 0.00 H new ATOM 0 HB THR A 405 -4.892 -19.168 -9.973 1.00 0.00 H new ATOM 0 HG1 THR A 405 -6.960 -20.097 -10.660 1.00 0.00 H new ATOM 0 HG21 THR A 405 -6.144 -20.842 -8.651 1.00 0.00 H new ATOM 0 HG22 THR A 405 -5.259 -19.686 -7.627 1.00 0.00 H new ATOM 0 HG23 THR A 405 -7.018 -19.520 -7.841 1.00 0.00 H new ATOM 512 N ASP A 406 -7.133 -17.007 -7.222 1.00 0.00 N ATOM 513 CA ASP A 406 -8.329 -16.583 -6.503 1.00 0.00 C ATOM 514 C ASP A 406 -8.552 -15.082 -6.656 1.00 0.00 C ATOM 515 O ASP A 406 -7.600 -14.301 -6.668 1.00 0.00 O ATOM 516 CB ASP A 406 -8.211 -16.945 -5.022 1.00 0.00 C ATOM 517 CG ASP A 406 -9.557 -17.247 -4.392 1.00 0.00 C ATOM 518 OD1 ASP A 406 -10.335 -18.015 -4.996 1.00 0.00 O ATOM 519 OD2 ASP A 406 -9.832 -16.716 -3.296 1.00 0.00 O ATOM 0 H ASP A 406 -6.375 -17.336 -6.624 1.00 0.00 H new ATOM 0 HA ASP A 406 -9.186 -17.104 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -7.559 -17.812 -4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -7.738 -16.122 -4.486 1.00 0.00 H new ATOM 524 N LYS A 407 -9.816 -14.685 -6.772 1.00 0.00 N ATOM 525 CA LYS A 407 -10.163 -13.276 -6.922 1.00 0.00 C ATOM 526 C LYS A 407 -9.663 -12.464 -5.730 1.00 0.00 C ATOM 527 O LYS A 407 -9.290 -11.298 -5.871 1.00 0.00 O ATOM 528 CB LYS A 407 -11.679 -13.117 -7.067 1.00 0.00 C ATOM 529 CG LYS A 407 -12.089 -12.294 -8.280 1.00 0.00 C ATOM 530 CD LYS A 407 -11.568 -12.907 -9.570 1.00 0.00 C ATOM 531 CE LYS A 407 -12.662 -13.656 -10.314 1.00 0.00 C ATOM 532 NZ LYS A 407 -12.114 -14.473 -11.431 1.00 0.00 N ATOM 0 H LYS A 407 -10.616 -15.318 -6.765 1.00 0.00 H new ATOM 0 HA LYS A 407 -9.678 -12.899 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 407 -12.135 -14.105 -7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 407 -12.075 -12.646 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 407 -13.176 -12.223 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 407 -11.707 -11.278 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 407 -11.164 -12.122 -10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 407 -10.748 -13.589 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 407 -13.196 -14.304 -9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 407 -13.387 -12.943 -10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 407 -12.891 -14.968 -11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 407 -11.626 -13.852 -12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 407 -11.441 -15.170 -11.053 1.00 0.00 H new ATOM 546 N ALA A 408 -9.657 -13.091 -4.557 1.00 0.00 N ATOM 547 CA ALA A 408 -9.202 -12.432 -3.339 1.00 0.00 C ATOM 548 C ALA A 408 -7.822 -11.812 -3.536 1.00 0.00 C ATOM 549 O ALA A 408 -7.638 -10.608 -3.350 1.00 0.00 O ATOM 550 CB ALA A 408 -9.186 -13.418 -2.180 1.00 0.00 C ATOM 0 H ALA A 408 -9.963 -14.055 -4.425 1.00 0.00 H new ATOM 0 HA ALA A 408 -9.900 -11.629 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 408 -8.844 -12.912 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 408 -10.191 -13.807 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 408 -8.511 -14.242 -2.412 1.00 0.00 H new ATOM 556 N TYR A 409 -6.855 -12.637 -3.933 1.00 0.00 N ATOM 557 CA TYR A 409 -5.501 -12.156 -4.173 1.00 0.00 C ATOM 558 C TYR A 409 -5.513 -11.102 -5.269 1.00 0.00 C ATOM 559 O TYR A 409 -4.709 -10.168 -5.263 1.00 0.00 O ATOM 560 CB TYR A 409 -4.578 -13.309 -4.571 1.00 0.00 C ATOM 561 CG TYR A 409 -3.148 -12.883 -4.813 1.00 0.00 C ATOM 562 CD1 TYR A 409 -2.239 -12.804 -3.765 1.00 0.00 C ATOM 563 CD2 TYR A 409 -2.706 -12.559 -6.089 1.00 0.00 C ATOM 564 CE1 TYR A 409 -0.931 -12.412 -3.982 1.00 0.00 C ATOM 565 CE2 TYR A 409 -1.400 -12.168 -6.315 1.00 0.00 C ATOM 566 CZ TYR A 409 -0.517 -12.097 -5.258 1.00 0.00 C ATOM 567 OH TYR A 409 0.784 -11.708 -5.478 1.00 0.00 O ATOM 0 H TYR A 409 -6.985 -13.636 -4.094 1.00 0.00 H new ATOM 0 HA TYR A 409 -5.124 -11.714 -3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 409 -4.595 -14.065 -3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 409 -4.966 -13.779 -5.475 1.00 0.00 H new ATOM 0 HD1 TYR A 409 -2.560 -13.053 -2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 409 -3.395 -12.614 -6.919 1.00 0.00 H new ATOM 0 HE1 TYR A 409 -0.238 -12.353 -3.156 1.00 0.00 H new ATOM 0 HE2 TYR A 409 -1.073 -11.919 -7.314 1.00 0.00 H new ATOM 0 HH TYR A 409 0.913 -11.523 -6.432 1.00 0.00 H new ATOM 577 N TRP A 410 -6.449 -11.251 -6.202 1.00 0.00 N ATOM 578 CA TRP A 410 -6.591 -10.312 -7.301 1.00 0.00 C ATOM 579 C TRP A 410 -6.793 -8.903 -6.761 1.00 0.00 C ATOM 580 O TRP A 410 -6.071 -7.976 -7.126 1.00 0.00 O ATOM 581 CB TRP A 410 -7.772 -10.711 -8.184 1.00 0.00 C ATOM 582 CG TRP A 410 -7.440 -10.717 -9.641 1.00 0.00 C ATOM 583 CD1 TRP A 410 -6.784 -11.697 -10.327 1.00 0.00 C ATOM 584 CD2 TRP A 410 -7.744 -9.692 -10.591 1.00 0.00 C ATOM 585 NE1 TRP A 410 -6.663 -11.344 -11.650 1.00 0.00 N ATOM 586 CE2 TRP A 410 -7.245 -10.117 -11.836 1.00 0.00 C ATOM 587 CE3 TRP A 410 -8.391 -8.454 -10.508 1.00 0.00 C ATOM 588 CZ2 TRP A 410 -7.373 -9.349 -12.990 1.00 0.00 C ATOM 589 CZ3 TRP A 410 -8.517 -7.692 -11.655 1.00 0.00 C ATOM 590 CH2 TRP A 410 -8.011 -8.142 -12.882 1.00 0.00 C ATOM 0 H TRP A 410 -7.121 -12.018 -6.215 1.00 0.00 H new ATOM 0 HA TRP A 410 -5.681 -10.332 -7.901 1.00 0.00 H new ATOM 0 HB2 TRP A 410 -8.117 -11.703 -7.892 1.00 0.00 H new ATOM 0 HB3 TRP A 410 -8.598 -10.022 -8.009 1.00 0.00 H new ATOM 0 HD1 TRP A 410 -6.414 -12.615 -9.894 1.00 0.00 H new ATOM 0 HE1 TRP A 410 -6.214 -11.904 -12.375 1.00 0.00 H new ATOM 0 HE3 TRP A 410 -8.784 -8.101 -9.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 410 -6.983 -9.693 -13.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 410 -9.014 -6.734 -11.604 1.00 0.00 H new ATOM 0 HH2 TRP A 410 -8.127 -7.524 -13.760 1.00 0.00 H new ATOM 601 N LEU A 411 -7.771 -8.756 -5.873 1.00 0.00 N ATOM 602 CA LEU A 411 -8.055 -7.464 -5.268 1.00 0.00 C ATOM 603 C LEU A 411 -6.887 -7.025 -4.398 1.00 0.00 C ATOM 604 O LEU A 411 -6.535 -5.846 -4.366 1.00 0.00 O ATOM 605 CB LEU A 411 -9.337 -7.524 -4.438 1.00 0.00 C ATOM 606 CG LEU A 411 -10.456 -8.385 -5.029 1.00 0.00 C ATOM 607 CD1 LEU A 411 -10.805 -9.532 -4.092 1.00 0.00 C ATOM 608 CD2 LEU A 411 -11.686 -7.537 -5.317 1.00 0.00 C ATOM 0 H LEU A 411 -8.377 -9.514 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 411 -8.197 -6.735 -6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 411 -9.092 -7.906 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 411 -9.713 -6.509 -4.305 1.00 0.00 H new ATOM 0 HG LEU A 411 -10.101 -8.808 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 411 -11.602 -10.131 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 411 -9.925 -10.156 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 411 -11.138 -9.131 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 411 -12.471 -8.166 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 411 -12.040 -7.084 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 411 -11.429 -6.753 -6.030 1.00 0.00 H new ATOM 620 N LEU A 412 -6.275 -7.983 -3.706 1.00 0.00 N ATOM 621 CA LEU A 412 -5.133 -7.687 -2.849 1.00 0.00 C ATOM 622 C LEU A 412 -4.081 -6.896 -3.626 1.00 0.00 C ATOM 623 O LEU A 412 -3.854 -5.713 -3.364 1.00 0.00 O ATOM 624 CB LEU A 412 -4.513 -8.983 -2.310 1.00 0.00 C ATOM 625 CG LEU A 412 -5.337 -9.725 -1.252 1.00 0.00 C ATOM 626 CD1 LEU A 412 -4.505 -10.823 -0.607 1.00 0.00 C ATOM 627 CD2 LEU A 412 -5.854 -8.759 -0.197 1.00 0.00 C ATOM 0 H LEU A 412 -6.550 -8.965 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 412 -5.482 -7.088 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -4.341 -9.658 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -3.537 -8.748 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 412 -6.195 -10.183 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -5.104 -11.341 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -4.185 -11.533 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -3.629 -10.383 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -6.436 -9.307 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -5.012 -8.270 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -6.485 -8.007 -0.670 1.00 0.00 H new ATOM 639 N GLU A 413 -3.450 -7.559 -4.591 1.00 0.00 N ATOM 640 CA GLU A 413 -2.429 -6.924 -5.417 1.00 0.00 C ATOM 641 C GLU A 413 -3.007 -5.736 -6.179 1.00 0.00 C ATOM 642 O GLU A 413 -2.359 -4.695 -6.308 1.00 0.00 O ATOM 643 CB GLU A 413 -1.838 -7.937 -6.399 1.00 0.00 C ATOM 644 CG GLU A 413 -0.414 -7.614 -6.822 1.00 0.00 C ATOM 645 CD GLU A 413 -0.183 -7.828 -8.305 1.00 0.00 C ATOM 646 OE1 GLU A 413 -1.035 -7.391 -9.107 1.00 0.00 O ATOM 647 OE2 GLU A 413 0.849 -8.433 -8.664 1.00 0.00 O ATOM 0 H GLU A 413 -3.628 -8.537 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 413 -1.639 -6.560 -4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -1.857 -8.927 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -2.470 -7.983 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -0.190 -6.578 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 413 0.279 -8.237 -6.257 1.00 0.00 H new ATOM 654 N GLU A 414 -4.226 -5.894 -6.683 1.00 0.00 N ATOM 655 CA GLU A 414 -4.888 -4.830 -7.434 1.00 0.00 C ATOM 656 C GLU A 414 -4.997 -3.562 -6.596 1.00 0.00 C ATOM 657 O GLU A 414 -4.416 -2.530 -6.936 1.00 0.00 O ATOM 658 CB GLU A 414 -6.281 -5.280 -7.881 1.00 0.00 C ATOM 659 CG GLU A 414 -6.269 -6.132 -9.140 1.00 0.00 C ATOM 660 CD GLU A 414 -6.515 -5.320 -10.396 1.00 0.00 C ATOM 661 OE1 GLU A 414 -7.304 -4.355 -10.334 1.00 0.00 O ATOM 662 OE2 GLU A 414 -5.915 -5.649 -11.443 1.00 0.00 O ATOM 0 H GLU A 414 -4.777 -6.747 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 414 -4.285 -4.613 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -6.748 -5.845 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -6.900 -4.400 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -5.307 -6.639 -9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -7.032 -6.906 -9.057 1.00 0.00 H new ATOM 669 N MET A 415 -5.740 -3.644 -5.496 1.00 0.00 N ATOM 670 CA MET A 415 -5.918 -2.501 -4.609 1.00 0.00 C ATOM 671 C MET A 415 -4.566 -1.943 -4.176 1.00 0.00 C ATOM 672 O MET A 415 -4.399 -0.730 -4.041 1.00 0.00 O ATOM 673 CB MET A 415 -6.741 -2.900 -3.380 1.00 0.00 C ATOM 674 CG MET A 415 -8.212 -2.537 -3.490 1.00 0.00 C ATOM 675 SD MET A 415 -9.220 -3.899 -4.104 1.00 0.00 S ATOM 676 CE MET A 415 -9.894 -4.538 -2.572 1.00 0.00 C ATOM 0 H MET A 415 -6.227 -4.489 -5.199 1.00 0.00 H new ATOM 0 HA MET A 415 -6.456 -1.726 -5.154 1.00 0.00 H new ATOM 0 HB2 MET A 415 -6.651 -3.975 -3.226 1.00 0.00 H new ATOM 0 HB3 MET A 415 -6.321 -2.416 -2.499 1.00 0.00 H new ATOM 0 HG2 MET A 415 -8.581 -2.230 -2.511 1.00 0.00 H new ATOM 0 HG3 MET A 415 -8.322 -1.680 -4.155 1.00 0.00 H new ATOM 0 HE1 MET A 415 -10.721 -5.213 -2.792 1.00 0.00 H new ATOM 0 HE2 MET A 415 -9.118 -5.079 -2.031 1.00 0.00 H new ATOM 0 HE3 MET A 415 -10.254 -3.711 -1.960 1.00 0.00 H new ATOM 686 N LEU A 416 -3.602 -2.835 -3.970 1.00 0.00 N ATOM 687 CA LEU A 416 -2.261 -2.428 -3.564 1.00 0.00 C ATOM 688 C LEU A 416 -1.659 -1.460 -4.578 1.00 0.00 C ATOM 689 O LEU A 416 -1.288 -0.336 -4.238 1.00 0.00 O ATOM 690 CB LEU A 416 -1.359 -3.654 -3.417 1.00 0.00 C ATOM 691 CG LEU A 416 -1.592 -4.479 -2.151 1.00 0.00 C ATOM 692 CD1 LEU A 416 -1.088 -5.903 -2.338 1.00 0.00 C ATOM 693 CD2 LEU A 416 -0.914 -3.821 -0.957 1.00 0.00 C ATOM 0 H LEU A 416 -3.724 -3.842 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 416 -2.335 -1.921 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 416 -1.503 -4.298 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 416 -0.320 -3.326 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 416 -2.664 -4.521 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 416 -1.263 -6.474 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 416 -1.619 -6.371 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 416 -0.020 -5.885 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 416 -1.089 -4.420 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 416 0.158 -3.749 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 416 -1.325 -2.822 -0.810 1.00 0.00 H new ATOM 705 N THR A 417 -1.565 -1.906 -5.827 1.00 0.00 N ATOM 706 CA THR A 417 -1.011 -1.082 -6.897 1.00 0.00 C ATOM 707 C THR A 417 -1.784 0.225 -7.032 1.00 0.00 C ATOM 708 O THR A 417 -1.197 1.288 -7.238 1.00 0.00 O ATOM 709 CB THR A 417 -1.038 -1.845 -8.222 1.00 0.00 C ATOM 710 OG1 THR A 417 -0.495 -3.143 -8.064 1.00 0.00 O ATOM 711 CG2 THR A 417 -0.265 -1.154 -9.325 1.00 0.00 C ATOM 0 H THR A 417 -1.866 -2.834 -6.124 1.00 0.00 H new ATOM 0 HA THR A 417 0.023 -0.846 -6.643 1.00 0.00 H new ATOM 0 HB THR A 417 -2.088 -1.890 -8.509 1.00 0.00 H new ATOM 0 HG1 THR A 417 -1.154 -3.722 -7.628 1.00 0.00 H new ATOM 0 HG21 THR A 417 -0.324 -1.747 -10.238 1.00 0.00 H new ATOM 0 HG22 THR A 417 -0.692 -0.167 -9.505 1.00 0.00 H new ATOM 0 HG23 THR A 417 0.778 -1.049 -9.027 1.00 0.00 H new ATOM 719 N LYS A 418 -3.106 0.141 -6.915 1.00 0.00 N ATOM 720 CA LYS A 418 -3.960 1.319 -7.024 1.00 0.00 C ATOM 721 C LYS A 418 -3.559 2.376 -6.000 1.00 0.00 C ATOM 722 O LYS A 418 -3.305 3.529 -6.348 1.00 0.00 O ATOM 723 CB LYS A 418 -5.427 0.932 -6.827 1.00 0.00 C ATOM 724 CG LYS A 418 -6.405 2.003 -7.281 1.00 0.00 C ATOM 725 CD LYS A 418 -7.637 2.048 -6.391 1.00 0.00 C ATOM 726 CE LYS A 418 -8.803 1.300 -7.017 1.00 0.00 C ATOM 727 NZ LYS A 418 -9.379 2.037 -8.177 1.00 0.00 N ATOM 0 H LYS A 418 -3.609 -0.730 -6.745 1.00 0.00 H new ATOM 0 HA LYS A 418 -3.834 1.738 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 418 -5.628 0.012 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 418 -5.599 0.718 -5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 418 -5.912 2.975 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 418 -6.706 1.809 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 418 -7.402 1.611 -5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 418 -7.922 3.085 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 418 -8.469 0.315 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 418 -9.578 1.142 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 -10.324 1.660 -8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 -9.455 3.048 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 -8.761 1.919 -9.005 1.00 0.00 H new ATOM 741 N GLU A 419 -3.500 1.972 -4.734 1.00 0.00 N ATOM 742 CA GLU A 419 -3.125 2.883 -3.660 1.00 0.00 C ATOM 743 C GLU A 419 -1.722 3.438 -3.886 1.00 0.00 C ATOM 744 O GLU A 419 -1.463 4.617 -3.644 1.00 0.00 O ATOM 745 CB GLU A 419 -3.195 2.166 -2.307 1.00 0.00 C ATOM 746 CG GLU A 419 -4.360 2.615 -1.441 1.00 0.00 C ATOM 747 CD GLU A 419 -5.694 2.511 -2.157 1.00 0.00 C ATOM 748 OE1 GLU A 419 -6.226 1.386 -2.259 1.00 0.00 O ATOM 749 OE2 GLU A 419 -6.205 3.555 -2.614 1.00 0.00 O ATOM 0 H GLU A 419 -3.707 1.021 -4.428 1.00 0.00 H new ATOM 0 HA GLU A 419 -3.829 3.715 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 419 -3.273 1.092 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 419 -2.264 2.336 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 419 -4.390 2.009 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 419 -4.199 3.647 -1.129 1.00 0.00 H new ATOM 756 N LEU A 420 -0.820 2.580 -4.353 1.00 0.00 N ATOM 757 CA LEU A 420 0.557 2.985 -4.615 1.00 0.00 C ATOM 758 C LEU A 420 0.604 4.136 -5.615 1.00 0.00 C ATOM 759 O LEU A 420 1.223 5.169 -5.359 1.00 0.00 O ATOM 760 CB LEU A 420 1.367 1.799 -5.143 1.00 0.00 C ATOM 761 CG LEU A 420 2.808 2.122 -5.540 1.00 0.00 C ATOM 762 CD1 LEU A 420 3.687 0.889 -5.407 1.00 0.00 C ATOM 763 CD2 LEU A 420 2.861 2.666 -6.959 1.00 0.00 C ATOM 0 H LEU A 420 -1.018 1.600 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 420 0.995 3.326 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 420 1.383 1.021 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.852 1.385 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 420 3.188 2.888 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 420 4.709 1.138 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 420 3.674 0.543 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 420 3.309 0.101 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.894 2.890 -7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.462 1.922 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.264 3.576 -7.022 1.00 0.00 H new ATOM 775 N LEU A 421 -0.053 3.950 -6.754 1.00 0.00 N ATOM 776 CA LEU A 421 -0.086 4.973 -7.794 1.00 0.00 C ATOM 777 C LEU A 421 -0.712 6.262 -7.270 1.00 0.00 C ATOM 778 O LEU A 421 -0.151 7.346 -7.432 1.00 0.00 O ATOM 779 CB LEU A 421 -0.869 4.469 -9.008 1.00 0.00 C ATOM 780 CG LEU A 421 -0.705 5.308 -10.277 1.00 0.00 C ATOM 781 CD1 LEU A 421 0.483 4.818 -11.090 1.00 0.00 C ATOM 782 CD2 LEU A 421 -1.977 5.266 -11.110 1.00 0.00 C ATOM 0 H LEU A 421 -0.570 3.101 -6.981 1.00 0.00 H new ATOM 0 HA LEU A 421 0.940 5.185 -8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 421 -0.558 3.447 -9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 421 -1.927 4.432 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 421 -0.518 6.342 -9.986 1.00 0.00 H new ATOM 0 HD11 LEU A 421 0.584 5.426 -11.989 1.00 0.00 H new ATOM 0 HD12 LEU A 421 1.391 4.899 -10.493 1.00 0.00 H new ATOM 0 HD13 LEU A 421 0.326 3.777 -11.372 1.00 0.00 H new ATOM 0 HD21 LEU A 421 -1.843 5.868 -12.009 1.00 0.00 H new ATOM 0 HD22 LEU A 421 -2.193 4.236 -11.392 1.00 0.00 H new ATOM 0 HD23 LEU A 421 -2.807 5.664 -10.527 1.00 0.00 H new ATOM 794 N GLU A 422 -1.875 6.136 -6.642 1.00 0.00 N ATOM 795 CA GLU A 422 -2.577 7.291 -6.095 1.00 0.00 C ATOM 796 C GLU A 422 -1.724 8.004 -5.049 1.00 0.00 C ATOM 797 O GLU A 422 -1.835 9.216 -4.865 1.00 0.00 O ATOM 798 CB GLU A 422 -3.908 6.860 -5.476 1.00 0.00 C ATOM 799 CG GLU A 422 -5.022 7.879 -5.656 1.00 0.00 C ATOM 800 CD GLU A 422 -5.735 7.733 -6.985 1.00 0.00 C ATOM 801 OE1 GLU A 422 -5.059 7.437 -7.993 1.00 0.00 O ATOM 802 OE2 GLU A 422 -6.970 7.913 -7.020 1.00 0.00 O ATOM 0 H GLU A 422 -2.352 5.246 -6.499 1.00 0.00 H new ATOM 0 HA GLU A 422 -2.772 7.985 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -4.217 5.914 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -3.762 6.678 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -5.744 7.770 -4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -4.606 8.884 -5.579 1.00 0.00 H new ATOM 809 N LEU A 423 -0.877 7.242 -4.365 1.00 0.00 N ATOM 810 CA LEU A 423 -0.007 7.800 -3.337 1.00 0.00 C ATOM 811 C LEU A 423 1.103 8.644 -3.957 1.00 0.00 C ATOM 812 O LEU A 423 1.302 9.801 -3.584 1.00 0.00 O ATOM 813 CB LEU A 423 0.606 6.676 -2.494 1.00 0.00 C ATOM 814 CG LEU A 423 1.451 7.134 -1.299 1.00 0.00 C ATOM 815 CD1 LEU A 423 2.906 7.304 -1.702 1.00 0.00 C ATOM 816 CD2 LEU A 423 0.906 8.432 -0.724 1.00 0.00 C ATOM 0 H LEU A 423 -0.775 6.237 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 423 -0.612 8.442 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 423 -0.200 6.041 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 423 1.228 6.058 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 423 1.395 6.364 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 423 3.487 7.629 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 423 3.297 6.353 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 423 2.980 8.052 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 423 1.519 8.740 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 423 0.929 9.207 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 423 -0.121 8.280 -0.392 1.00 0.00 H new ATOM 828 N ASP A 424 1.822 8.052 -4.903 1.00 0.00 N ATOM 829 CA ASP A 424 2.921 8.733 -5.585 1.00 0.00 C ATOM 830 C ASP A 424 2.504 10.115 -6.091 1.00 0.00 C ATOM 831 O ASP A 424 3.350 10.985 -6.303 1.00 0.00 O ATOM 832 CB ASP A 424 3.422 7.884 -6.754 1.00 0.00 C ATOM 833 CG ASP A 424 4.406 6.818 -6.314 1.00 0.00 C ATOM 834 OD1 ASP A 424 3.995 5.902 -5.569 1.00 0.00 O ATOM 835 OD2 ASP A 424 5.585 6.897 -6.714 1.00 0.00 O ATOM 0 H ASP A 424 1.664 7.095 -5.218 1.00 0.00 H new ATOM 0 HA ASP A 424 3.724 8.869 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 424 2.572 7.410 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 424 3.897 8.531 -7.492 1.00 0.00 H new ATOM 840 N SER A 425 1.204 10.315 -6.285 1.00 0.00 N ATOM 841 CA SER A 425 0.690 11.593 -6.771 1.00 0.00 C ATOM 842 C SER A 425 0.435 12.566 -5.618 1.00 0.00 C ATOM 843 O SER A 425 -0.541 13.316 -5.635 1.00 0.00 O ATOM 844 CB SER A 425 -0.601 11.376 -7.563 1.00 0.00 C ATOM 845 OG SER A 425 -0.322 10.977 -8.895 1.00 0.00 O ATOM 0 H SER A 425 0.487 9.610 -6.114 1.00 0.00 H new ATOM 0 HA SER A 425 1.446 12.030 -7.424 1.00 0.00 H new ATOM 0 HB2 SER A 425 -1.209 10.616 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 425 -1.186 12.296 -7.571 1.00 0.00 H new ATOM 0 HG SER A 425 -1.163 10.843 -9.379 1.00 0.00 H new ATOM 851 N VAL A 426 1.317 12.553 -4.622 1.00 0.00 N ATOM 852 CA VAL A 426 1.183 13.437 -3.471 1.00 0.00 C ATOM 853 C VAL A 426 2.042 14.689 -3.640 1.00 0.00 C ATOM 854 O VAL A 426 3.098 14.647 -4.269 1.00 0.00 O ATOM 855 CB VAL A 426 1.583 12.719 -2.166 1.00 0.00 C ATOM 856 CG1 VAL A 426 3.032 12.261 -2.229 1.00 0.00 C ATOM 857 CG2 VAL A 426 1.352 13.622 -0.962 1.00 0.00 C ATOM 0 H VAL A 426 2.131 11.940 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 426 0.134 13.727 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 426 0.952 11.837 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 426 3.295 11.757 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 426 3.160 11.572 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 426 3.681 13.125 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 426 1.641 13.096 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 426 1.952 14.526 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 426 0.297 13.891 -0.906 1.00 0.00 H new ATOM 867 N GLU A 427 1.581 15.800 -3.073 1.00 0.00 N ATOM 868 CA GLU A 427 2.309 17.060 -3.161 1.00 0.00 C ATOM 869 C GLU A 427 3.037 17.362 -1.856 1.00 0.00 C ATOM 870 O GLU A 427 2.420 17.435 -0.793 1.00 0.00 O ATOM 871 CB GLU A 427 1.350 18.204 -3.500 1.00 0.00 C ATOM 872 CG GLU A 427 2.030 19.396 -4.153 1.00 0.00 C ATOM 873 CD GLU A 427 2.341 19.160 -5.617 1.00 0.00 C ATOM 874 OE1 GLU A 427 1.414 18.792 -6.369 1.00 0.00 O ATOM 875 OE2 GLU A 427 3.512 19.343 -6.014 1.00 0.00 O ATOM 0 H GLU A 427 0.708 15.853 -2.549 1.00 0.00 H new ATOM 0 HA GLU A 427 3.050 16.967 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 427 0.573 17.830 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 427 0.855 18.534 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 427 1.389 20.272 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 427 2.955 19.619 -3.620 1.00 0.00 H new ATOM 882 N THR A 428 4.352 17.534 -1.943 1.00 0.00 N ATOM 883 CA THR A 428 5.163 17.827 -0.766 1.00 0.00 C ATOM 884 C THR A 428 6.098 19.003 -1.028 1.00 0.00 C ATOM 885 O THR A 428 6.175 19.937 -0.230 1.00 0.00 O ATOM 886 CB THR A 428 5.974 16.596 -0.360 1.00 0.00 C ATOM 887 OG1 THR A 428 6.847 16.902 0.711 1.00 0.00 O ATOM 888 CG2 THR A 428 6.813 16.032 -1.488 1.00 0.00 C ATOM 0 H THR A 428 4.878 17.476 -2.815 1.00 0.00 H new ATOM 0 HA THR A 428 4.491 18.095 0.049 1.00 0.00 H new ATOM 0 HB THR A 428 5.236 15.848 -0.068 1.00 0.00 H new ATOM 0 HG1 THR A 428 7.356 16.101 0.957 1.00 0.00 H new ATOM 0 HG21 THR A 428 7.363 15.161 -1.132 1.00 0.00 H new ATOM 0 HG22 THR A 428 6.164 15.739 -2.313 1.00 0.00 H new ATOM 0 HG23 THR A 428 7.517 16.790 -1.832 1.00 0.00 H new ATOM 896 N GLY A 429 6.808 18.952 -2.150 1.00 0.00 N ATOM 897 CA GLY A 429 7.729 20.019 -2.495 1.00 0.00 C ATOM 898 C GLY A 429 8.795 20.228 -1.437 1.00 0.00 C ATOM 899 O GLY A 429 9.318 21.332 -1.284 1.00 0.00 O ATOM 0 H GLY A 429 6.762 18.190 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 429 8.207 19.789 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 429 7.172 20.946 -2.633 1.00 0.00 H new ATOM 903 N GLY A 430 9.117 19.167 -0.706 1.00 0.00 N ATOM 904 CA GLY A 430 10.125 19.260 0.335 1.00 0.00 C ATOM 905 C GLY A 430 9.519 19.376 1.720 1.00 0.00 C ATOM 906 O GLY A 430 9.880 20.265 2.490 1.00 0.00 O ATOM 0 H GLY A 430 8.698 18.243 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 430 10.767 18.380 0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 430 10.760 20.126 0.146 1.00 0.00 H new ATOM 910 N GLN A 431 8.594 18.475 2.036 1.00 0.00 N ATOM 911 CA GLN A 431 7.936 18.480 3.337 1.00 0.00 C ATOM 912 C GLN A 431 8.312 17.242 4.142 1.00 0.00 C ATOM 913 O GLN A 431 8.240 16.118 3.644 1.00 0.00 O ATOM 914 CB GLN A 431 6.416 18.546 3.162 1.00 0.00 C ATOM 915 CG GLN A 431 5.673 18.907 4.437 1.00 0.00 C ATOM 916 CD GLN A 431 5.862 20.359 4.830 1.00 0.00 C ATOM 917 OE1 GLN A 431 6.989 20.828 4.996 1.00 0.00 O ATOM 918 NE2 GLN A 431 4.757 21.079 4.983 1.00 0.00 N ATOM 0 H GLN A 431 8.284 17.733 1.409 1.00 0.00 H new ATOM 0 HA GLN A 431 8.272 19.362 3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 431 6.179 19.281 2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 431 6.058 17.581 2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 431 4.610 18.706 4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 431 6.019 18.267 5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 431 3.844 20.649 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 431 4.821 22.062 5.248 1.00 0.00 H new ATOM 927 N ASP A 432 8.714 17.454 5.392 1.00 0.00 N ATOM 928 CA ASP A 432 9.102 16.355 6.269 1.00 0.00 C ATOM 929 C ASP A 432 7.954 15.364 6.439 1.00 0.00 C ATOM 930 O ASP A 432 8.168 14.151 6.473 1.00 0.00 O ATOM 931 CB ASP A 432 9.533 16.893 7.634 1.00 0.00 C ATOM 932 CG ASP A 432 8.443 17.707 8.306 1.00 0.00 C ATOM 933 OD1 ASP A 432 8.272 18.888 7.934 1.00 0.00 O ATOM 934 OD2 ASP A 432 7.764 17.164 9.200 1.00 0.00 O ATOM 0 H ASP A 432 8.779 18.378 5.820 1.00 0.00 H new ATOM 0 HA ASP A 432 9.942 15.835 5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 432 9.810 16.059 8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 432 10.422 17.512 7.513 1.00 0.00 H new ATOM 939 N SER A 433 6.737 15.890 6.546 1.00 0.00 N ATOM 940 CA SER A 433 5.553 15.053 6.713 1.00 0.00 C ATOM 941 C SER A 433 5.461 14.012 5.603 1.00 0.00 C ATOM 942 O SER A 433 5.609 12.813 5.849 1.00 0.00 O ATOM 943 CB SER A 433 4.290 15.918 6.722 1.00 0.00 C ATOM 944 OG SER A 433 4.414 16.991 7.641 1.00 0.00 O ATOM 0 H SER A 433 6.545 16.891 6.520 1.00 0.00 H new ATOM 0 HA SER A 433 5.638 14.533 7.667 1.00 0.00 H new ATOM 0 HB2 SER A 433 4.107 16.311 5.722 1.00 0.00 H new ATOM 0 HB3 SER A 433 3.428 15.306 6.987 1.00 0.00 H new ATOM 0 HG SER A 433 3.596 17.530 7.627 1.00 0.00 H new ATOM 950 N VAL A 434 5.219 14.475 4.381 1.00 0.00 N ATOM 951 CA VAL A 434 5.113 13.582 3.236 1.00 0.00 C ATOM 952 C VAL A 434 6.423 12.834 3.005 1.00 0.00 C ATOM 953 O VAL A 434 6.429 11.743 2.438 1.00 0.00 O ATOM 954 CB VAL A 434 4.723 14.353 1.956 1.00 0.00 C ATOM 955 CG1 VAL A 434 4.876 13.478 0.719 1.00 0.00 C ATOM 956 CG2 VAL A 434 3.297 14.871 2.071 1.00 0.00 C ATOM 0 H VAL A 434 5.093 15.463 4.160 1.00 0.00 H new ATOM 0 HA VAL A 434 4.327 12.861 3.460 1.00 0.00 H new ATOM 0 HB VAL A 434 5.399 15.201 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 434 4.594 14.048 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 434 5.913 13.155 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 434 4.230 12.604 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 434 3.032 15.413 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 434 2.615 14.032 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 434 3.221 15.540 2.928 1.00 0.00 H new ATOM 966 N ARG A 435 7.529 13.420 3.453 1.00 0.00 N ATOM 967 CA ARG A 435 8.836 12.792 3.295 1.00 0.00 C ATOM 968 C ARG A 435 8.862 11.432 3.983 1.00 0.00 C ATOM 969 O ARG A 435 9.109 10.406 3.347 1.00 0.00 O ATOM 970 CB ARG A 435 9.933 13.694 3.866 1.00 0.00 C ATOM 971 CG ARG A 435 10.756 14.398 2.801 1.00 0.00 C ATOM 972 CD ARG A 435 12.074 13.682 2.550 1.00 0.00 C ATOM 973 NE ARG A 435 12.658 14.043 1.260 1.00 0.00 N ATOM 974 CZ ARG A 435 13.597 13.328 0.644 1.00 0.00 C ATOM 975 NH1 ARG A 435 14.060 12.213 1.197 1.00 0.00 N ATOM 976 NH2 ARG A 435 14.073 13.727 -0.526 1.00 0.00 N ATOM 0 H ARG A 435 7.547 14.324 3.926 1.00 0.00 H new ATOM 0 HA ARG A 435 9.021 12.646 2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 435 9.476 14.442 4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 435 10.597 13.095 4.489 1.00 0.00 H new ATOM 0 HG2 ARG A 435 10.186 14.448 1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 435 10.952 15.425 3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 435 12.776 13.927 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 435 11.913 12.604 2.586 1.00 0.00 H new ATOM 0 HE ARG A 435 12.327 14.893 0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 435 13.696 11.901 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 435 14.779 11.668 0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 435 13.720 14.582 -0.955 1.00 0.00 H new ATOM 0 HH22 ARG A 435 14.792 13.179 -0.998 1.00 0.00 H new ATOM 990 N GLN A 436 8.597 11.431 5.285 1.00 0.00 N ATOM 991 CA GLN A 436 8.580 10.197 6.060 1.00 0.00 C ATOM 992 C GLN A 436 7.403 9.318 5.647 1.00 0.00 C ATOM 993 O GLN A 436 7.544 8.106 5.488 1.00 0.00 O ATOM 994 CB GLN A 436 8.500 10.507 7.556 1.00 0.00 C ATOM 995 CG GLN A 436 9.054 9.399 8.437 1.00 0.00 C ATOM 996 CD GLN A 436 8.430 9.387 9.818 1.00 0.00 C ATOM 997 OE1 GLN A 436 7.209 9.336 9.961 1.00 0.00 O ATOM 998 NE2 GLN A 436 9.270 9.435 10.847 1.00 0.00 N ATOM 0 H GLN A 436 8.391 12.271 5.825 1.00 0.00 H new ATOM 0 HA GLN A 436 9.506 9.657 5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 436 9.047 11.428 7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 436 7.460 10.689 7.826 1.00 0.00 H new ATOM 0 HG2 GLN A 436 8.881 8.436 7.956 1.00 0.00 H new ATOM 0 HG3 GLN A 436 10.133 9.519 8.531 1.00 0.00 H new ATOM 0 HE21 GLN A 436 10.276 9.476 10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 436 8.909 9.430 11.801 1.00 0.00 H new ATOM 1007 N ALA A 437 6.241 9.941 5.471 1.00 0.00 N ATOM 1008 CA ALA A 437 5.040 9.220 5.072 1.00 0.00 C ATOM 1009 C ALA A 437 5.232 8.547 3.719 1.00 0.00 C ATOM 1010 O ALA A 437 4.778 7.422 3.503 1.00 0.00 O ATOM 1011 CB ALA A 437 3.846 10.165 5.031 1.00 0.00 C ATOM 0 H ALA A 437 6.107 10.944 5.599 1.00 0.00 H new ATOM 0 HA ALA A 437 4.848 8.443 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 437 2.955 9.613 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 437 3.690 10.597 6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 437 4.037 10.962 4.313 1.00 0.00 H new ATOM 1017 N ARG A 438 5.913 9.240 2.812 1.00 0.00 N ATOM 1018 CA ARG A 438 6.171 8.708 1.478 1.00 0.00 C ATOM 1019 C ARG A 438 7.152 7.544 1.546 1.00 0.00 C ATOM 1020 O ARG A 438 6.836 6.431 1.129 1.00 0.00 O ATOM 1021 CB ARG A 438 6.722 9.803 0.563 1.00 0.00 C ATOM 1022 CG ARG A 438 6.968 9.338 -0.863 1.00 0.00 C ATOM 1023 CD ARG A 438 5.720 9.479 -1.719 1.00 0.00 C ATOM 1024 NE ARG A 438 6.028 9.974 -3.058 1.00 0.00 N ATOM 1025 CZ ARG A 438 6.414 11.223 -3.316 1.00 0.00 C ATOM 1026 NH1 ARG A 438 6.537 12.104 -2.331 1.00 0.00 N ATOM 1027 NH2 ARG A 438 6.675 11.591 -4.563 1.00 0.00 N ATOM 0 H ARG A 438 6.296 10.171 2.976 1.00 0.00 H new ATOM 0 HA ARG A 438 5.228 8.347 1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 438 6.022 10.639 0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 438 7.657 10.177 0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 438 7.779 9.920 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 438 7.290 8.297 -0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 438 5.222 8.513 -1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 438 5.022 10.160 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 438 5.943 9.326 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 438 6.336 11.826 -1.370 1.00 0.00 H new ATOM 0 HH12 ARG A 438 6.833 13.059 -2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 438 6.580 10.918 -5.324 1.00 0.00 H new ATOM 0 HH22 ARG A 438 6.971 12.547 -4.761 1.00 0.00 H new ATOM 1041 N LYS A 439 8.344 7.805 2.076 1.00 0.00 N ATOM 1042 CA LYS A 439 9.367 6.773 2.199 1.00 0.00 C ATOM 1043 C LYS A 439 8.810 5.544 2.911 1.00 0.00 C ATOM 1044 O LYS A 439 8.952 4.418 2.434 1.00 0.00 O ATOM 1045 CB LYS A 439 10.579 7.313 2.961 1.00 0.00 C ATOM 1046 CG LYS A 439 11.465 8.224 2.127 1.00 0.00 C ATOM 1047 CD LYS A 439 11.961 7.522 0.873 1.00 0.00 C ATOM 1048 CE LYS A 439 13.381 7.935 0.527 1.00 0.00 C ATOM 1049 NZ LYS A 439 14.383 6.949 1.017 1.00 0.00 N ATOM 0 H LYS A 439 8.624 8.721 2.426 1.00 0.00 H new ATOM 0 HA LYS A 439 9.680 6.482 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 439 10.232 7.860 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 439 11.173 6.474 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 439 10.909 9.119 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 439 12.317 8.551 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 439 11.921 6.443 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 439 11.300 7.756 0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 439 13.475 8.041 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 439 13.591 8.912 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 15.339 7.269 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 14.312 6.866 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 14.199 6.022 0.582 1.00 0.00 H new ATOM 1063 N GLU A 440 8.168 5.772 4.053 1.00 0.00 N ATOM 1064 CA GLU A 440 7.579 4.689 4.829 1.00 0.00 C ATOM 1065 C GLU A 440 6.481 3.995 4.031 1.00 0.00 C ATOM 1066 O GLU A 440 6.388 2.766 4.018 1.00 0.00 O ATOM 1067 CB GLU A 440 7.015 5.228 6.146 1.00 0.00 C ATOM 1068 CG GLU A 440 6.332 4.169 6.996 1.00 0.00 C ATOM 1069 CD GLU A 440 6.397 4.481 8.479 1.00 0.00 C ATOM 1070 OE1 GLU A 440 7.519 4.562 9.020 1.00 0.00 O ATOM 1071 OE2 GLU A 440 5.325 4.647 9.098 1.00 0.00 O ATOM 0 H GLU A 440 8.043 6.699 4.461 1.00 0.00 H new ATOM 0 HA GLU A 440 8.358 3.960 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 440 7.825 5.677 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 440 6.301 6.022 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 440 5.289 4.082 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 440 6.800 3.202 6.811 1.00 0.00 H new ATOM 1078 N ALA A 441 5.651 4.792 3.364 1.00 0.00 N ATOM 1079 CA ALA A 441 4.560 4.256 2.560 1.00 0.00 C ATOM 1080 C ALA A 441 5.094 3.418 1.405 1.00 0.00 C ATOM 1081 O ALA A 441 4.639 2.298 1.176 1.00 0.00 O ATOM 1082 CB ALA A 441 3.685 5.386 2.036 1.00 0.00 C ATOM 0 H ALA A 441 5.714 5.810 3.365 1.00 0.00 H new ATOM 0 HA ALA A 441 3.955 3.609 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 441 2.874 4.971 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 441 3.268 5.942 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 441 4.285 6.055 1.420 1.00 0.00 H new ATOM 1088 N VAL A 442 6.065 3.966 0.680 1.00 0.00 N ATOM 1089 CA VAL A 442 6.664 3.266 -0.450 1.00 0.00 C ATOM 1090 C VAL A 442 7.252 1.929 -0.013 1.00 0.00 C ATOM 1091 O VAL A 442 7.035 0.902 -0.656 1.00 0.00 O ATOM 1092 CB VAL A 442 7.767 4.109 -1.119 1.00 0.00 C ATOM 1093 CG1 VAL A 442 8.248 3.441 -2.397 1.00 0.00 C ATOM 1094 CG2 VAL A 442 7.267 5.519 -1.402 1.00 0.00 C ATOM 0 H VAL A 442 6.453 4.893 0.856 1.00 0.00 H new ATOM 0 HA VAL A 442 5.868 3.093 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 442 8.611 4.179 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 442 9.027 4.051 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 442 8.650 2.455 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 442 7.413 3.338 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 442 8.060 6.098 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 442 6.406 5.473 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 442 6.977 5.997 -0.466 1.00 0.00 H new ATOM 1104 N CYS A 443 7.994 1.946 1.090 1.00 0.00 N ATOM 1105 CA CYS A 443 8.602 0.730 1.615 1.00 0.00 C ATOM 1106 C CYS A 443 7.527 -0.294 1.959 1.00 0.00 C ATOM 1107 O CYS A 443 7.641 -1.471 1.619 1.00 0.00 O ATOM 1108 CB CYS A 443 9.441 1.045 2.854 1.00 0.00 C ATOM 1109 SG CYS A 443 11.171 1.431 2.495 1.00 0.00 S ATOM 0 H CYS A 443 8.188 2.786 1.635 1.00 0.00 H new ATOM 0 HA CYS A 443 9.254 0.312 0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 443 8.993 1.889 3.378 1.00 0.00 H new ATOM 0 HB3 CYS A 443 9.403 0.192 3.532 1.00 0.00 H new ATOM 0 HG CYS A 443 11.798 1.685 3.605 1.00 0.00 H new ATOM 1115 N LYS A 444 6.477 0.169 2.632 1.00 0.00 N ATOM 1116 CA LYS A 444 5.371 -0.692 3.023 1.00 0.00 C ATOM 1117 C LYS A 444 4.695 -1.301 1.801 1.00 0.00 C ATOM 1118 O LYS A 444 4.672 -2.521 1.643 1.00 0.00 O ATOM 1119 CB LYS A 444 4.349 0.097 3.844 1.00 0.00 C ATOM 1120 CG LYS A 444 4.775 0.335 5.283 1.00 0.00 C ATOM 1121 CD LYS A 444 3.588 0.297 6.230 1.00 0.00 C ATOM 1122 CE LYS A 444 3.345 -1.106 6.763 1.00 0.00 C ATOM 1123 NZ LYS A 444 4.210 -1.411 7.937 1.00 0.00 N ATOM 0 H LYS A 444 6.371 1.142 2.918 1.00 0.00 H new ATOM 0 HA LYS A 444 5.773 -1.501 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 444 4.174 1.059 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 444 3.400 -0.439 3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 444 5.501 -0.422 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 444 5.273 1.302 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 444 3.764 0.978 7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 444 2.696 0.650 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 444 2.298 -1.210 7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 444 3.535 -1.833 5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 4.014 -2.376 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 5.210 -1.336 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 4.011 -0.734 8.700 1.00 0.00 H new ATOM 1137 N ILE A 445 4.146 -0.448 0.933 1.00 0.00 N ATOM 1138 CA ILE A 445 3.471 -0.921 -0.275 1.00 0.00 C ATOM 1139 C ILE A 445 4.331 -1.942 -1.013 1.00 0.00 C ATOM 1140 O ILE A 445 3.843 -2.990 -1.436 1.00 0.00 O ATOM 1141 CB ILE A 445 3.116 0.239 -1.227 1.00 0.00 C ATOM 1142 CG1 ILE A 445 4.377 0.977 -1.681 1.00 0.00 C ATOM 1143 CG2 ILE A 445 2.151 1.201 -0.549 1.00 0.00 C ATOM 1144 CD1 ILE A 445 4.095 2.139 -2.610 1.00 0.00 C ATOM 0 H ILE A 445 4.156 0.566 1.044 1.00 0.00 H new ATOM 0 HA ILE A 445 2.543 -1.395 0.046 1.00 0.00 H new ATOM 0 HB ILE A 445 2.632 -0.178 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 445 4.909 1.344 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 445 5.040 0.273 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 445 1.909 2.015 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 445 1.238 0.670 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 445 2.614 1.608 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 445 5.034 2.616 -2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 445 3.590 1.775 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 445 3.458 2.864 -2.103 1.00 0.00 H new ATOM 1156 N GLN A 446 5.618 -1.639 -1.145 1.00 0.00 N ATOM 1157 CA GLN A 446 6.545 -2.545 -1.809 1.00 0.00 C ATOM 1158 C GLN A 446 6.760 -3.778 -0.942 1.00 0.00 C ATOM 1159 O GLN A 446 6.919 -4.891 -1.445 1.00 0.00 O ATOM 1160 CB GLN A 446 7.880 -1.848 -2.076 1.00 0.00 C ATOM 1161 CG GLN A 446 8.536 -2.271 -3.380 1.00 0.00 C ATOM 1162 CD GLN A 446 7.891 -1.627 -4.592 1.00 0.00 C ATOM 1163 OE1 GLN A 446 6.708 -1.829 -4.861 1.00 0.00 O ATOM 1164 NE2 GLN A 446 8.671 -0.846 -5.333 1.00 0.00 N ATOM 0 H GLN A 446 6.041 -0.776 -0.802 1.00 0.00 H new ATOM 0 HA GLN A 446 6.120 -2.847 -2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 446 7.721 -0.770 -2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 446 8.561 -2.058 -1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 446 9.593 -2.008 -3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 446 8.480 -3.355 -3.476 1.00 0.00 H new ATOM 0 HE21 GLN A 446 9.647 -0.706 -5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 446 8.293 -0.387 -6.162 1.00 0.00 H new ATOM 1173 N ALA A 447 6.748 -3.565 0.370 1.00 0.00 N ATOM 1174 CA ALA A 447 6.924 -4.646 1.328 1.00 0.00 C ATOM 1175 C ALA A 447 5.758 -5.625 1.243 1.00 0.00 C ATOM 1176 O ALA A 447 5.954 -6.835 1.114 1.00 0.00 O ATOM 1177 CB ALA A 447 7.047 -4.079 2.736 1.00 0.00 C ATOM 0 H ALA A 447 6.617 -2.647 0.794 1.00 0.00 H new ATOM 0 HA ALA A 447 7.841 -5.185 1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 447 7.178 -4.895 3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 447 7.908 -3.412 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 447 6.143 -3.523 2.985 1.00 0.00 H new ATOM 1183 N ILE A 448 4.545 -5.088 1.307 1.00 0.00 N ATOM 1184 CA ILE A 448 3.339 -5.904 1.227 1.00 0.00 C ATOM 1185 C ILE A 448 3.261 -6.620 -0.117 1.00 0.00 C ATOM 1186 O ILE A 448 2.900 -7.794 -0.187 1.00 0.00 O ATOM 1187 CB ILE A 448 2.071 -5.045 1.426 1.00 0.00 C ATOM 1188 CG1 ILE A 448 0.810 -5.905 1.301 1.00 0.00 C ATOM 1189 CG2 ILE A 448 2.040 -3.902 0.423 1.00 0.00 C ATOM 1190 CD1 ILE A 448 -0.460 -5.170 1.668 1.00 0.00 C ATOM 0 H ILE A 448 4.370 -4.089 1.414 1.00 0.00 H new ATOM 0 HA ILE A 448 3.391 -6.644 2.026 1.00 0.00 H new ATOM 0 HB ILE A 448 2.097 -4.622 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 448 0.727 -6.268 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 448 0.912 -6.781 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 448 1.140 -3.307 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 448 2.919 -3.273 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 448 2.039 -4.306 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -1.313 -5.839 1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -0.398 -4.830 2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -0.585 -4.310 1.010 1.00 0.00 H new ATOM 1202 N LEU A 449 3.610 -5.904 -1.184 1.00 0.00 N ATOM 1203 CA LEU A 449 3.585 -6.475 -2.525 1.00 0.00 C ATOM 1204 C LEU A 449 4.495 -7.698 -2.602 1.00 0.00 C ATOM 1205 O LEU A 449 4.081 -8.767 -3.050 1.00 0.00 O ATOM 1206 CB LEU A 449 4.018 -5.430 -3.556 1.00 0.00 C ATOM 1207 CG LEU A 449 2.878 -4.803 -4.360 1.00 0.00 C ATOM 1208 CD1 LEU A 449 2.333 -3.575 -3.648 1.00 0.00 C ATOM 1209 CD2 LEU A 449 3.349 -4.444 -5.761 1.00 0.00 C ATOM 0 H LEU A 449 3.912 -4.931 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 449 2.564 -6.786 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 449 4.559 -4.636 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 449 4.719 -5.895 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 449 2.074 -5.534 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 449 1.523 -3.143 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 449 1.956 -3.861 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 449 3.129 -2.839 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 449 2.525 -3.999 -6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 449 4.171 -3.731 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 449 3.689 -5.344 -6.272 1.00 0.00 H new ATOM 1221 N GLU A 450 5.736 -7.533 -2.155 1.00 0.00 N ATOM 1222 CA GLU A 450 6.703 -8.624 -2.165 1.00 0.00 C ATOM 1223 C GLU A 450 6.199 -9.794 -1.327 1.00 0.00 C ATOM 1224 O GLU A 450 6.309 -10.952 -1.730 1.00 0.00 O ATOM 1225 CB GLU A 450 8.053 -8.143 -1.633 1.00 0.00 C ATOM 1226 CG GLU A 450 9.232 -8.955 -2.145 1.00 0.00 C ATOM 1227 CD GLU A 450 10.466 -8.107 -2.382 1.00 0.00 C ATOM 1228 OE1 GLU A 450 10.324 -6.990 -2.923 1.00 0.00 O ATOM 1229 OE2 GLU A 450 11.575 -8.559 -2.025 1.00 0.00 O ATOM 0 H GLU A 450 6.095 -6.654 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 450 6.829 -8.960 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 450 8.193 -7.099 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 450 8.040 -8.183 -0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 450 9.468 -9.739 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 450 8.951 -9.449 -3.075 1.00 0.00 H new ATOM 1236 N LYS A 451 5.640 -9.481 -0.160 1.00 0.00 N ATOM 1237 CA LYS A 451 5.113 -10.506 0.734 1.00 0.00 C ATOM 1238 C LYS A 451 4.051 -11.343 0.028 1.00 0.00 C ATOM 1239 O LYS A 451 4.041 -12.570 0.134 1.00 0.00 O ATOM 1240 CB LYS A 451 4.523 -9.864 1.990 1.00 0.00 C ATOM 1241 CG LYS A 451 5.562 -9.533 3.049 1.00 0.00 C ATOM 1242 CD LYS A 451 6.109 -10.791 3.705 1.00 0.00 C ATOM 1243 CE LYS A 451 7.517 -10.576 4.237 1.00 0.00 C ATOM 1244 NZ LYS A 451 8.175 -11.860 4.603 1.00 0.00 N ATOM 0 H LYS A 451 5.541 -8.527 0.187 1.00 0.00 H new ATOM 0 HA LYS A 451 5.935 -11.160 1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 451 3.999 -8.951 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 451 3.781 -10.538 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 451 6.380 -8.973 2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 451 5.117 -8.889 3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 451 5.453 -11.091 4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 451 6.113 -11.607 2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 451 8.115 -10.064 3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 451 7.479 -9.926 5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 9.133 -11.670 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 7.618 -12.338 5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 8.234 -12.471 3.764 1.00 0.00 H new ATOM 1258 N LEU A 452 3.159 -10.672 -0.694 1.00 0.00 N ATOM 1259 CA LEU A 452 2.096 -11.355 -1.421 1.00 0.00 C ATOM 1260 C LEU A 452 2.679 -12.249 -2.510 1.00 0.00 C ATOM 1261 O LEU A 452 2.283 -13.406 -2.656 1.00 0.00 O ATOM 1262 CB LEU A 452 1.132 -10.337 -2.039 1.00 0.00 C ATOM 1263 CG LEU A 452 -0.116 -10.040 -1.207 1.00 0.00 C ATOM 1264 CD1 LEU A 452 -0.903 -8.890 -1.819 1.00 0.00 C ATOM 1265 CD2 LEU A 452 -0.989 -11.280 -1.086 1.00 0.00 C ATOM 0 H LEU A 452 3.152 -9.657 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 452 1.546 -11.978 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 452 1.670 -9.404 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 452 0.820 -10.703 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 452 0.201 -9.747 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -1.788 -8.692 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 452 -0.278 -7.998 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -1.208 -9.156 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -1.872 -11.047 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -1.297 -11.606 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 452 -0.424 -12.077 -0.602 1.00 0.00 H new ATOM 1277 N GLU A 453 3.624 -11.705 -3.270 1.00 0.00 N ATOM 1278 CA GLU A 453 4.266 -12.453 -4.343 1.00 0.00 C ATOM 1279 C GLU A 453 4.941 -13.709 -3.800 1.00 0.00 C ATOM 1280 O GLU A 453 4.947 -14.754 -4.450 1.00 0.00 O ATOM 1281 CB GLU A 453 5.293 -11.577 -5.062 1.00 0.00 C ATOM 1282 CG GLU A 453 5.660 -12.082 -6.448 1.00 0.00 C ATOM 1283 CD GLU A 453 4.447 -12.291 -7.333 1.00 0.00 C ATOM 1284 OE1 GLU A 453 3.630 -11.354 -7.452 1.00 0.00 O ATOM 1285 OE2 GLU A 453 4.313 -13.393 -7.906 1.00 0.00 O ATOM 0 H GLU A 453 3.962 -10.749 -3.162 1.00 0.00 H new ATOM 0 HA GLU A 453 3.497 -12.754 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 453 4.899 -10.564 -5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 453 6.196 -11.518 -4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 453 6.334 -11.369 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 453 6.204 -13.022 -6.356 1.00 0.00 H new ATOM 1292 N LYS A 454 5.511 -13.596 -2.604 1.00 0.00 N ATOM 1293 CA LYS A 454 6.187 -14.722 -1.971 1.00 0.00 C ATOM 1294 C LYS A 454 5.178 -15.708 -1.391 1.00 0.00 C ATOM 1295 O LYS A 454 5.423 -16.915 -1.357 1.00 0.00 O ATOM 1296 CB LYS A 454 7.125 -14.227 -0.869 1.00 0.00 C ATOM 1297 CG LYS A 454 8.330 -15.125 -0.645 1.00 0.00 C ATOM 1298 CD LYS A 454 9.555 -14.323 -0.232 1.00 0.00 C ATOM 1299 CE LYS A 454 10.834 -14.939 -0.775 1.00 0.00 C ATOM 1300 NZ LYS A 454 10.945 -14.774 -2.251 1.00 0.00 N ATOM 0 H LYS A 454 5.518 -12.737 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 454 6.772 -15.236 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 454 7.472 -13.225 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 454 6.565 -14.145 0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 454 8.099 -15.860 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 454 8.547 -15.678 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 454 9.460 -13.300 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 454 9.608 -14.272 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 454 11.694 -14.475 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 454 10.861 -16.000 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 11.938 -14.887 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 10.363 -15.493 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 10.612 -13.826 -2.520 1.00 0.00 H new ATOM 1314 N LYS A 455 4.043 -15.187 -0.937 1.00 0.00 N ATOM 1315 CA LYS A 455 2.996 -16.022 -0.358 1.00 0.00 C ATOM 1316 C LYS A 455 2.160 -16.681 -1.452 1.00 0.00 C ATOM 1317 O LYS A 455 1.665 -17.795 -1.281 1.00 0.00 O ATOM 1318 CB LYS A 455 2.097 -15.187 0.557 1.00 0.00 C ATOM 1319 CG LYS A 455 2.347 -15.425 2.037 1.00 0.00 C ATOM 1320 CD LYS A 455 1.530 -16.596 2.559 1.00 0.00 C ATOM 1321 CE LYS A 455 2.122 -17.162 3.840 1.00 0.00 C ATOM 1322 NZ LYS A 455 1.395 -16.680 5.048 1.00 0.00 N ATOM 0 H LYS A 455 3.824 -14.191 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 455 3.473 -16.806 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 455 2.249 -14.130 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 455 1.054 -15.412 0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 455 3.407 -15.618 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 455 2.096 -14.525 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 455 0.505 -16.273 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 455 1.487 -17.378 1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 455 2.087 -18.251 3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 455 3.172 -16.879 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 1.829 -17.088 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 1.449 -15.642 5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 0.398 -16.972 4.993 1.00 0.00 H new ATOM 1336 N GLY A 456 2.008 -15.985 -2.575 1.00 0.00 N ATOM 1337 CA GLY A 456 1.233 -16.520 -3.678 1.00 0.00 C ATOM 1338 C GLY A 456 2.036 -17.469 -4.545 1.00 0.00 C ATOM 1339 O GLY A 456 1.908 -18.698 -4.357 1.00 0.00 O ATOM 1340 OXT GLY A 456 2.791 -16.986 -5.414 1.00 0.00 O ATOM 0 H GLY A 456 2.408 -15.061 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.360 -17.042 -3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.863 -15.698 -4.291 1.00 0.00 H new TER 1344 GLY A 456