USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 323 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 NoAdj-H: A 475 HIS HE2 : A 475 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 479 HIS HE2 : A 479 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD Single : A 452 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.024) USER MOD Single : A 457 TYR OH : rot 180:sc= 0 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.2) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 469 ASN : amide:sc= -0.0976 X(o=-0.098,f=-0.56) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 471 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 476 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 480 THR OG1 : rot 22:sc= -0.285 USER MOD Single : A 483 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD Single : A 489 SER OG : rot -54:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 445 -15.994 -22.935 -17.504 1.00 0.00 N ATOM 2 CA GLY A 445 -17.339 -22.677 -17.024 1.00 0.00 C ATOM 3 C GLY A 445 -17.724 -21.215 -17.138 1.00 0.00 C ATOM 4 O GLY A 445 -18.178 -20.766 -18.190 1.00 0.00 O ATOM 0 HA2 GLY A 445 -18.046 -23.281 -17.592 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -17.416 -22.990 -15.983 1.00 0.00 H new ATOM 8 N SER A 446 -17.545 -20.471 -16.051 1.00 0.00 N ATOM 9 CA SER A 446 -17.882 -19.053 -16.031 1.00 0.00 C ATOM 10 C SER A 446 -16.622 -18.194 -16.070 1.00 0.00 C ATOM 11 O SER A 446 -15.644 -18.476 -15.378 1.00 0.00 O ATOM 12 CB SER A 446 -18.702 -18.719 -14.784 1.00 0.00 C ATOM 13 OG SER A 446 -19.879 -19.507 -14.721 1.00 0.00 O ATOM 0 H SER A 446 -17.168 -20.827 -15.173 1.00 0.00 H new ATOM 0 HA SER A 446 -18.477 -18.834 -16.918 1.00 0.00 H new ATOM 0 HB2 SER A 446 -18.099 -18.889 -13.892 1.00 0.00 H new ATOM 0 HB3 SER A 446 -18.968 -17.662 -14.792 1.00 0.00 H new ATOM 0 HG SER A 446 -20.385 -19.276 -13.914 1.00 0.00 H new ATOM 19 N SER A 447 -16.653 -17.145 -16.885 1.00 0.00 N ATOM 20 CA SER A 447 -15.513 -16.246 -17.019 1.00 0.00 C ATOM 21 C SER A 447 -15.968 -14.790 -17.039 1.00 0.00 C ATOM 22 O SER A 447 -16.508 -14.310 -18.035 1.00 0.00 O ATOM 23 CB SER A 447 -14.731 -16.565 -18.295 1.00 0.00 C ATOM 24 OG SER A 447 -15.587 -17.076 -19.302 1.00 0.00 O ATOM 0 H SER A 447 -17.456 -16.896 -17.463 1.00 0.00 H new ATOM 0 HA SER A 447 -14.863 -16.394 -16.157 1.00 0.00 H new ATOM 0 HB2 SER A 447 -14.236 -15.664 -18.657 1.00 0.00 H new ATOM 0 HB3 SER A 447 -13.949 -17.292 -18.074 1.00 0.00 H new ATOM 0 HG SER A 447 -15.064 -17.271 -20.108 1.00 0.00 H new ATOM 30 N GLY A 448 -15.745 -14.091 -15.929 1.00 0.00 N ATOM 31 CA GLY A 448 -16.138 -12.697 -15.839 1.00 0.00 C ATOM 32 C GLY A 448 -15.335 -11.934 -14.804 1.00 0.00 C ATOM 33 O GLY A 448 -14.668 -12.534 -13.961 1.00 0.00 O ATOM 0 H GLY A 448 -15.299 -14.466 -15.091 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -16.013 -12.224 -16.813 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -17.197 -12.637 -15.589 1.00 0.00 H new ATOM 37 N SER A 449 -15.397 -10.608 -14.869 1.00 0.00 N ATOM 38 CA SER A 449 -14.665 -9.762 -13.934 1.00 0.00 C ATOM 39 C SER A 449 -15.614 -9.117 -12.928 1.00 0.00 C ATOM 40 O SER A 449 -15.545 -9.390 -11.730 1.00 0.00 O ATOM 41 CB SER A 449 -13.892 -8.679 -14.690 1.00 0.00 C ATOM 42 OG SER A 449 -13.423 -9.164 -15.936 1.00 0.00 O ATOM 0 H SER A 449 -15.947 -10.096 -15.559 1.00 0.00 H new ATOM 0 HA SER A 449 -13.959 -10.390 -13.391 1.00 0.00 H new ATOM 0 HB2 SER A 449 -14.535 -7.814 -14.852 1.00 0.00 H new ATOM 0 HB3 SER A 449 -13.049 -8.341 -14.087 1.00 0.00 H new ATOM 0 HG SER A 449 -12.934 -8.453 -16.401 1.00 0.00 H new ATOM 48 N SER A 450 -16.499 -8.260 -13.425 1.00 0.00 N ATOM 49 CA SER A 450 -17.460 -7.572 -12.571 1.00 0.00 C ATOM 50 C SER A 450 -18.868 -8.121 -12.785 1.00 0.00 C ATOM 51 O SER A 450 -19.534 -7.788 -13.765 1.00 0.00 O ATOM 52 CB SER A 450 -17.439 -6.068 -12.851 1.00 0.00 C ATOM 53 OG SER A 450 -16.216 -5.489 -12.431 1.00 0.00 O ATOM 0 H SER A 450 -16.571 -8.025 -14.415 1.00 0.00 H new ATOM 0 HA SER A 450 -17.175 -7.745 -11.533 1.00 0.00 H new ATOM 0 HB2 SER A 450 -17.582 -5.891 -13.917 1.00 0.00 H new ATOM 0 HB3 SER A 450 -18.269 -5.587 -12.334 1.00 0.00 H new ATOM 0 HG SER A 450 -16.226 -4.528 -12.622 1.00 0.00 H new ATOM 59 N GLY A 451 -19.315 -8.965 -11.860 1.00 0.00 N ATOM 60 CA GLY A 451 -20.640 -9.547 -11.964 1.00 0.00 C ATOM 61 C GLY A 451 -21.282 -9.773 -10.610 1.00 0.00 C ATOM 62 O GLY A 451 -22.068 -8.949 -10.142 1.00 0.00 O ATOM 0 H GLY A 451 -18.783 -9.256 -11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 451 -21.276 -8.891 -12.559 1.00 0.00 H new ATOM 0 HA3 GLY A 451 -20.576 -10.497 -12.495 1.00 0.00 H new ATOM 66 N THR A 452 -20.949 -10.894 -9.979 1.00 0.00 N ATOM 67 CA THR A 452 -21.501 -11.228 -8.672 1.00 0.00 C ATOM 68 C THR A 452 -20.436 -11.138 -7.585 1.00 0.00 C ATOM 69 O THR A 452 -19.468 -11.897 -7.587 1.00 0.00 O ATOM 70 CB THR A 452 -22.108 -12.644 -8.663 1.00 0.00 C ATOM 71 OG1 THR A 452 -22.851 -12.866 -9.867 1.00 0.00 O ATOM 72 CG2 THR A 452 -23.016 -12.837 -7.458 1.00 0.00 C ATOM 0 H THR A 452 -20.299 -11.586 -10.352 1.00 0.00 H new ATOM 0 HA THR A 452 -22.288 -10.502 -8.467 1.00 0.00 H new ATOM 0 HB THR A 452 -21.292 -13.364 -8.602 1.00 0.00 H new ATOM 0 HG1 THR A 452 -23.232 -13.769 -9.854 1.00 0.00 H new ATOM 0 HG21 THR A 452 -23.433 -13.844 -7.474 1.00 0.00 H new ATOM 0 HG22 THR A 452 -22.441 -12.697 -6.543 1.00 0.00 H new ATOM 0 HG23 THR A 452 -23.826 -12.109 -7.493 1.00 0.00 H new ATOM 80 N GLY A 453 -20.622 -10.204 -6.657 1.00 0.00 N ATOM 81 CA GLY A 453 -19.668 -10.032 -5.577 1.00 0.00 C ATOM 82 C GLY A 453 -18.821 -8.786 -5.744 1.00 0.00 C ATOM 83 O GLY A 453 -18.450 -8.426 -6.860 1.00 0.00 O ATOM 0 H GLY A 453 -21.416 -9.564 -6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -20.203 -9.979 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -19.018 -10.906 -5.528 1.00 0.00 H new ATOM 87 N GLU A 454 -18.516 -8.126 -4.631 1.00 0.00 N ATOM 88 CA GLU A 454 -17.709 -6.912 -4.661 1.00 0.00 C ATOM 89 C GLU A 454 -16.221 -7.247 -4.688 1.00 0.00 C ATOM 90 O GLU A 454 -15.816 -8.358 -4.343 1.00 0.00 O ATOM 91 CB GLU A 454 -18.023 -6.035 -3.447 1.00 0.00 C ATOM 92 CG GLU A 454 -19.440 -5.488 -3.441 1.00 0.00 C ATOM 93 CD GLU A 454 -19.627 -4.362 -2.442 1.00 0.00 C ATOM 94 OE1 GLU A 454 -18.659 -4.040 -1.723 1.00 0.00 O ATOM 95 OE2 GLU A 454 -20.743 -3.804 -2.381 1.00 0.00 O ATOM 0 H GLU A 454 -18.815 -8.411 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 454 -17.957 -6.365 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 454 -17.863 -6.616 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 454 -17.321 -5.202 -3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 454 -19.691 -5.129 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 454 -20.136 -6.294 -3.208 1.00 0.00 H new ATOM 102 N LYS A 455 -15.410 -6.280 -5.102 1.00 0.00 N ATOM 103 CA LYS A 455 -13.966 -6.470 -5.175 1.00 0.00 C ATOM 104 C LYS A 455 -13.228 -5.246 -4.643 1.00 0.00 C ATOM 105 O LYS A 455 -12.588 -4.504 -5.388 1.00 0.00 O ATOM 106 CB LYS A 455 -13.540 -6.748 -6.619 1.00 0.00 C ATOM 107 CG LYS A 455 -14.209 -7.968 -7.226 1.00 0.00 C ATOM 108 CD LYS A 455 -13.521 -9.253 -6.797 1.00 0.00 C ATOM 109 CE LYS A 455 -13.731 -10.365 -7.814 1.00 0.00 C ATOM 110 NZ LYS A 455 -15.174 -10.676 -8.005 1.00 0.00 N ATOM 0 H LYS A 455 -15.728 -5.356 -5.393 1.00 0.00 H new ATOM 0 HA LYS A 455 -13.706 -7.327 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -13.770 -5.876 -7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -12.459 -6.884 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -15.256 -7.997 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -14.192 -7.890 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -12.454 -9.071 -6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -13.907 -9.568 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -13.293 -10.072 -8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -13.207 -11.262 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -15.271 -11.504 -8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -15.610 -10.882 -7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -15.651 -9.860 -8.439 1.00 0.00 H new ATOM 124 N PRO A 456 -13.318 -5.028 -3.322 1.00 0.00 N ATOM 125 CA PRO A 456 -12.663 -3.895 -2.661 1.00 0.00 C ATOM 126 C PRO A 456 -11.145 -4.038 -2.634 1.00 0.00 C ATOM 127 O PRO A 456 -10.615 -5.046 -2.166 1.00 0.00 O ATOM 128 CB PRO A 456 -13.230 -3.938 -1.240 1.00 0.00 C ATOM 129 CG PRO A 456 -13.620 -5.361 -1.030 1.00 0.00 C ATOM 130 CD PRO A 456 -14.065 -5.870 -2.373 1.00 0.00 C ATOM 0 HA PRO A 456 -12.850 -2.956 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -12.488 -3.619 -0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -14.087 -3.273 -1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -12.781 -5.944 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 456 -14.422 -5.442 -0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 456 -13.828 -6.926 -2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 456 -15.142 -5.766 -2.505 1.00 0.00 H new ATOM 138 N TYR A 457 -10.451 -3.023 -3.137 1.00 0.00 N ATOM 139 CA TYR A 457 -8.994 -3.037 -3.171 1.00 0.00 C ATOM 140 C TYR A 457 -8.413 -2.705 -1.800 1.00 0.00 C ATOM 141 O TYR A 457 -8.987 -1.924 -1.041 1.00 0.00 O ATOM 142 CB TYR A 457 -8.478 -2.040 -4.211 1.00 0.00 C ATOM 143 CG TYR A 457 -8.801 -2.430 -5.635 1.00 0.00 C ATOM 144 CD1 TYR A 457 -10.106 -2.390 -6.109 1.00 0.00 C ATOM 145 CD2 TYR A 457 -7.799 -2.836 -6.509 1.00 0.00 C ATOM 146 CE1 TYR A 457 -10.406 -2.746 -7.410 1.00 0.00 C ATOM 147 CE2 TYR A 457 -8.089 -3.192 -7.812 1.00 0.00 C ATOM 148 CZ TYR A 457 -9.394 -3.146 -8.257 1.00 0.00 C ATOM 149 OH TYR A 457 -9.688 -3.500 -9.554 1.00 0.00 O ATOM 0 H TYR A 457 -10.874 -2.181 -3.527 1.00 0.00 H new ATOM 0 HA TYR A 457 -8.672 -4.041 -3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 457 -8.907 -1.059 -4.006 1.00 0.00 H new ATOM 0 HB3 TYR A 457 -7.397 -1.944 -4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 457 -10.901 -2.075 -5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 457 -6.776 -2.874 -6.163 1.00 0.00 H new ATOM 0 HE1 TYR A 457 -11.427 -2.711 -7.761 1.00 0.00 H new ATOM 0 HE2 TYR A 457 -7.299 -3.505 -8.478 1.00 0.00 H new ATOM 0 HH TYR A 457 -8.864 -3.756 -10.018 1.00 0.00 H new ATOM 159 N LYS A 458 -7.269 -3.305 -1.489 1.00 0.00 N ATOM 160 CA LYS A 458 -6.606 -3.074 -0.211 1.00 0.00 C ATOM 161 C LYS A 458 -5.163 -2.625 -0.419 1.00 0.00 C ATOM 162 O LYS A 458 -4.368 -3.327 -1.044 1.00 0.00 O ATOM 163 CB LYS A 458 -6.638 -4.345 0.641 1.00 0.00 C ATOM 164 CG LYS A 458 -5.953 -4.192 1.988 1.00 0.00 C ATOM 165 CD LYS A 458 -5.664 -5.542 2.623 1.00 0.00 C ATOM 166 CE LYS A 458 -4.743 -5.406 3.826 1.00 0.00 C ATOM 167 NZ LYS A 458 -4.016 -6.674 4.113 1.00 0.00 N ATOM 0 H LYS A 458 -6.781 -3.955 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 458 -7.143 -2.281 0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 458 -7.675 -4.639 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 458 -6.160 -5.154 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 458 -5.021 -3.641 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 458 -6.584 -3.603 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 458 -6.600 -6.008 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 458 -5.206 -6.202 1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 458 -4.023 -4.608 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 458 -5.327 -5.116 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 -3.399 -6.541 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 -4.702 -7.430 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 -3.439 -6.938 3.289 1.00 0.00 H new ATOM 181 N CYS A 459 -4.831 -1.452 0.110 1.00 0.00 N ATOM 182 CA CYS A 459 -3.484 -0.910 -0.017 1.00 0.00 C ATOM 183 C CYS A 459 -2.467 -1.813 0.675 1.00 0.00 C ATOM 184 O CYS A 459 -2.538 -2.034 1.884 1.00 0.00 O ATOM 185 CB CYS A 459 -3.420 0.498 0.578 1.00 0.00 C ATOM 186 SG CYS A 459 -1.945 1.447 0.086 1.00 0.00 S ATOM 0 H CYS A 459 -5.477 -0.859 0.631 1.00 0.00 H new ATOM 0 HA CYS A 459 -3.238 -0.861 -1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -4.311 1.049 0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -3.445 0.423 1.665 1.00 0.00 H new ATOM 191 N HIS A 460 -1.520 -2.332 -0.101 1.00 0.00 N ATOM 192 CA HIS A 460 -0.487 -3.210 0.437 1.00 0.00 C ATOM 193 C HIS A 460 0.661 -2.399 1.031 1.00 0.00 C ATOM 194 O HIS A 460 1.649 -2.960 1.502 1.00 0.00 O ATOM 195 CB HIS A 460 0.042 -4.140 -0.655 1.00 0.00 C ATOM 196 CG HIS A 460 -0.833 -5.330 -0.904 1.00 0.00 C ATOM 197 ND1 HIS A 460 -1.397 -6.074 0.110 1.00 0.00 N ATOM 198 CD2 HIS A 460 -1.240 -5.903 -2.061 1.00 0.00 C ATOM 199 CE1 HIS A 460 -2.113 -7.055 -0.412 1.00 0.00 C ATOM 200 NE2 HIS A 460 -2.034 -6.973 -1.728 1.00 0.00 N ATOM 0 H HIS A 460 -1.447 -2.160 -1.104 1.00 0.00 H new ATOM 0 HA HIS A 460 -0.933 -3.810 1.230 1.00 0.00 H new ATOM 0 HB2 HIS A 460 0.147 -3.576 -1.582 1.00 0.00 H new ATOM 0 HB3 HIS A 460 1.038 -4.484 -0.377 1.00 0.00 H new ATOM 0 HD2 HIS A 460 -0.987 -5.579 -3.060 1.00 0.00 H new ATOM 0 HE1 HIS A 460 -2.668 -7.797 0.143 1.00 0.00 H new ATOM 0 HE2 HIS A 460 -2.489 -7.602 -2.390 1.00 0.00 H new ATOM 208 N GLU A 461 0.521 -1.077 1.004 1.00 0.00 N ATOM 209 CA GLU A 461 1.548 -0.190 1.538 1.00 0.00 C ATOM 210 C GLU A 461 1.300 0.101 3.015 1.00 0.00 C ATOM 211 O GLU A 461 2.229 0.099 3.824 1.00 0.00 O ATOM 212 CB GLU A 461 1.583 1.119 0.748 1.00 0.00 C ATOM 213 CG GLU A 461 2.951 1.780 0.725 1.00 0.00 C ATOM 214 CD GLU A 461 4.036 0.856 0.204 1.00 0.00 C ATOM 215 OE1 GLU A 461 4.030 0.558 -1.008 1.00 0.00 O ATOM 216 OE2 GLU A 461 4.891 0.433 1.010 1.00 0.00 O ATOM 0 H GLU A 461 -0.292 -0.597 0.619 1.00 0.00 H new ATOM 0 HA GLU A 461 2.511 -0.691 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 461 1.266 0.924 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 461 0.861 1.813 1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 461 2.909 2.673 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 461 3.210 2.107 1.732 1.00 0.00 H new ATOM 223 N CYS A 462 0.042 0.351 3.360 1.00 0.00 N ATOM 224 CA CYS A 462 -0.330 0.645 4.739 1.00 0.00 C ATOM 225 C CYS A 462 -1.369 -0.351 5.246 1.00 0.00 C ATOM 226 O CYS A 462 -1.368 -0.721 6.419 1.00 0.00 O ATOM 227 CB CYS A 462 -0.876 2.070 4.849 1.00 0.00 C ATOM 228 SG CYS A 462 -2.285 2.413 3.747 1.00 0.00 S ATOM 0 H CYS A 462 -0.738 0.356 2.703 1.00 0.00 H new ATOM 0 HA CYS A 462 0.563 0.557 5.357 1.00 0.00 H new ATOM 0 HB2 CYS A 462 -1.182 2.252 5.879 1.00 0.00 H new ATOM 0 HB3 CYS A 462 -0.074 2.773 4.625 1.00 0.00 H new ATOM 233 N GLY A 463 -2.255 -0.780 4.353 1.00 0.00 N ATOM 234 CA GLY A 463 -3.288 -1.728 4.728 1.00 0.00 C ATOM 235 C GLY A 463 -4.668 -1.102 4.756 1.00 0.00 C ATOM 236 O GLY A 463 -5.567 -1.593 5.438 1.00 0.00 O ATOM 0 H GLY A 463 -2.276 -0.488 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -3.285 -2.561 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -3.059 -2.140 5.711 1.00 0.00 H new ATOM 240 N LYS A 464 -4.837 -0.013 4.013 1.00 0.00 N ATOM 241 CA LYS A 464 -6.117 0.682 3.955 1.00 0.00 C ATOM 242 C LYS A 464 -6.979 0.140 2.819 1.00 0.00 C ATOM 243 O LYS A 464 -6.542 0.075 1.671 1.00 0.00 O ATOM 244 CB LYS A 464 -5.896 2.185 3.769 1.00 0.00 C ATOM 245 CG LYS A 464 -5.693 2.936 5.074 1.00 0.00 C ATOM 246 CD LYS A 464 -6.016 4.413 4.923 1.00 0.00 C ATOM 247 CE LYS A 464 -6.452 5.026 6.245 1.00 0.00 C ATOM 248 NZ LYS A 464 -5.296 5.555 7.020 1.00 0.00 N ATOM 0 H LYS A 464 -4.103 0.407 3.443 1.00 0.00 H new ATOM 0 HA LYS A 464 -6.638 0.511 4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 464 -5.026 2.340 3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 464 -6.754 2.608 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 464 -6.326 2.501 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 464 -4.661 2.820 5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 464 -5.140 4.942 4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 464 -6.807 4.540 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 464 -7.161 5.832 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 464 -6.974 4.275 6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 464 -5.635 5.964 7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 464 -4.631 4.781 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 464 -4.813 6.290 6.465 1.00 0.00 H new ATOM 262 N VAL A 465 -8.208 -0.246 3.148 1.00 0.00 N ATOM 263 CA VAL A 465 -9.133 -0.780 2.155 1.00 0.00 C ATOM 264 C VAL A 465 -9.996 0.325 1.558 1.00 0.00 C ATOM 265 O VAL A 465 -10.296 1.320 2.220 1.00 0.00 O ATOM 266 CB VAL A 465 -10.048 -1.859 2.764 1.00 0.00 C ATOM 267 CG1 VAL A 465 -10.872 -2.535 1.678 1.00 0.00 C ATOM 268 CG2 VAL A 465 -9.226 -2.881 3.535 1.00 0.00 C ATOM 0 H VAL A 465 -8.586 -0.199 4.094 1.00 0.00 H new ATOM 0 HA VAL A 465 -8.528 -1.229 1.368 1.00 0.00 H new ATOM 0 HB VAL A 465 -10.734 -1.378 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 465 -11.512 -3.294 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 465 -11.489 -1.791 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 465 -10.205 -3.004 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 465 -9.888 -3.636 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 465 -8.515 -3.359 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 465 -8.685 -2.381 4.338 1.00 0.00 H new ATOM 278 N PHE A 466 -10.394 0.145 0.303 1.00 0.00 N ATOM 279 CA PHE A 466 -11.224 1.128 -0.384 1.00 0.00 C ATOM 280 C PHE A 466 -12.358 0.446 -1.143 1.00 0.00 C ATOM 281 O PHE A 466 -12.312 -0.757 -1.402 1.00 0.00 O ATOM 282 CB PHE A 466 -10.375 1.957 -1.350 1.00 0.00 C ATOM 283 CG PHE A 466 -9.407 2.875 -0.661 1.00 0.00 C ATOM 284 CD1 PHE A 466 -9.779 4.166 -0.320 1.00 0.00 C ATOM 285 CD2 PHE A 466 -8.125 2.448 -0.353 1.00 0.00 C ATOM 286 CE1 PHE A 466 -8.890 5.013 0.314 1.00 0.00 C ATOM 287 CE2 PHE A 466 -7.232 3.291 0.281 1.00 0.00 C ATOM 288 CZ PHE A 466 -7.615 4.574 0.616 1.00 0.00 C ATOM 0 H PHE A 466 -10.155 -0.672 -0.259 1.00 0.00 H new ATOM 0 HA PHE A 466 -11.658 1.789 0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 466 -9.822 1.283 -2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 466 -11.035 2.548 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 466 -10.775 4.514 -0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 466 -7.820 1.445 -0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 466 -9.191 6.017 0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 466 -6.235 2.946 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 466 -6.919 5.234 1.113 1.00 0.00 H new ATOM 298 N ARG A 467 -13.377 1.223 -1.497 1.00 0.00 N ATOM 299 CA ARG A 467 -14.525 0.695 -2.224 1.00 0.00 C ATOM 300 C ARG A 467 -14.143 0.339 -3.658 1.00 0.00 C ATOM 301 O ARG A 467 -14.317 -0.800 -4.093 1.00 0.00 O ATOM 302 CB ARG A 467 -15.666 1.713 -2.227 1.00 0.00 C ATOM 303 CG ARG A 467 -16.983 1.150 -2.736 1.00 0.00 C ATOM 304 CD ARG A 467 -17.959 2.258 -3.101 1.00 0.00 C ATOM 305 NE ARG A 467 -18.424 2.987 -1.924 1.00 0.00 N ATOM 306 CZ ARG A 467 -19.334 2.516 -1.080 1.00 0.00 C ATOM 307 NH1 ARG A 467 -19.874 1.321 -1.281 1.00 0.00 N ATOM 308 NH2 ARG A 467 -19.706 3.239 -0.031 1.00 0.00 N ATOM 0 H ARG A 467 -13.431 2.221 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 467 -14.858 -0.212 -1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -15.809 2.089 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -15.381 2.564 -2.846 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -16.799 0.524 -3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -17.426 0.511 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -17.478 2.952 -3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -18.814 1.830 -3.624 1.00 0.00 H new ATOM 0 HE ARG A 467 -18.028 3.909 -1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -19.590 0.762 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -20.573 0.961 -0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -19.293 4.158 0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -20.405 2.876 0.617 1.00 0.00 H new ATOM 322 N ARG A 468 -13.621 1.320 -4.387 1.00 0.00 N ATOM 323 CA ARG A 468 -13.217 1.111 -5.772 1.00 0.00 C ATOM 324 C ARG A 468 -11.712 1.309 -5.934 1.00 0.00 C ATOM 325 O ARG A 468 -11.008 1.607 -4.971 1.00 0.00 O ATOM 326 CB ARG A 468 -13.970 2.070 -6.696 1.00 0.00 C ATOM 327 CG ARG A 468 -15.482 1.989 -6.555 1.00 0.00 C ATOM 328 CD ARG A 468 -16.176 3.054 -7.389 1.00 0.00 C ATOM 329 NE ARG A 468 -16.037 2.805 -8.822 1.00 0.00 N ATOM 330 CZ ARG A 468 -16.234 3.733 -9.752 1.00 0.00 C ATOM 331 NH1 ARG A 468 -16.576 4.965 -9.402 1.00 0.00 N ATOM 332 NH2 ARG A 468 -16.087 3.429 -11.035 1.00 0.00 N ATOM 0 H ARG A 468 -13.468 2.267 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 468 -13.464 0.085 -6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -13.648 3.090 -6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -13.698 1.855 -7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -15.825 1.002 -6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -15.758 2.108 -5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -17.234 3.087 -7.128 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -15.758 4.032 -7.149 1.00 0.00 H new ATOM 0 HE ARG A 468 -15.774 1.867 -9.125 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -16.689 5.203 -8.416 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -16.727 5.675 -10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -15.823 2.482 -11.308 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -16.238 4.142 -11.749 1.00 0.00 H new ATOM 346 N ASN A 469 -11.227 1.139 -7.160 1.00 0.00 N ATOM 347 CA ASN A 469 -9.806 1.297 -7.449 1.00 0.00 C ATOM 348 C ASN A 469 -9.450 2.769 -7.633 1.00 0.00 C ATOM 349 O ASN A 469 -8.311 3.176 -7.405 1.00 0.00 O ATOM 350 CB ASN A 469 -9.428 0.508 -8.704 1.00 0.00 C ATOM 351 CG ASN A 469 -8.085 0.928 -9.268 1.00 0.00 C ATOM 352 OD1 ASN A 469 -7.991 1.896 -10.022 1.00 0.00 O ATOM 353 ND2 ASN A 469 -7.037 0.199 -8.904 1.00 0.00 N ATOM 0 H ASN A 469 -11.797 0.892 -7.969 1.00 0.00 H new ATOM 0 HA ASN A 469 -9.242 0.908 -6.601 1.00 0.00 H new ATOM 0 HB2 ASN A 469 -9.403 -0.556 -8.467 1.00 0.00 H new ATOM 0 HB3 ASN A 469 -10.198 0.648 -9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 469 -6.107 0.433 -9.252 1.00 0.00 H new ATOM 0 HD22 ASN A 469 -7.162 -0.595 -8.277 1.00 0.00 H new ATOM 360 N SER A 470 -10.432 3.563 -8.048 1.00 0.00 N ATOM 361 CA SER A 470 -10.221 4.989 -8.266 1.00 0.00 C ATOM 362 C SER A 470 -9.795 5.680 -6.974 1.00 0.00 C ATOM 363 O SER A 470 -8.944 6.570 -6.984 1.00 0.00 O ATOM 364 CB SER A 470 -11.497 5.638 -8.807 1.00 0.00 C ATOM 365 OG SER A 470 -12.592 5.415 -7.936 1.00 0.00 O ATOM 0 H SER A 470 -11.381 3.243 -8.240 1.00 0.00 H new ATOM 0 HA SER A 470 -9.423 5.104 -8.999 1.00 0.00 H new ATOM 0 HB2 SER A 470 -11.339 6.709 -8.931 1.00 0.00 H new ATOM 0 HB3 SER A 470 -11.725 5.233 -9.793 1.00 0.00 H new ATOM 0 HG SER A 470 -13.394 5.841 -8.303 1.00 0.00 H new ATOM 371 N HIS A 471 -10.394 5.263 -5.863 1.00 0.00 N ATOM 372 CA HIS A 471 -10.076 5.840 -4.561 1.00 0.00 C ATOM 373 C HIS A 471 -8.671 5.443 -4.119 1.00 0.00 C ATOM 374 O HIS A 471 -7.939 6.250 -3.543 1.00 0.00 O ATOM 375 CB HIS A 471 -11.098 5.390 -3.517 1.00 0.00 C ATOM 376 CG HIS A 471 -12.439 6.040 -3.672 1.00 0.00 C ATOM 377 ND1 HIS A 471 -13.487 5.451 -4.347 1.00 0.00 N ATOM 378 CD2 HIS A 471 -12.899 7.235 -3.233 1.00 0.00 C ATOM 379 CE1 HIS A 471 -14.534 6.256 -4.317 1.00 0.00 C ATOM 380 NE2 HIS A 471 -14.204 7.345 -3.647 1.00 0.00 N ATOM 0 H HIS A 471 -11.101 4.529 -5.838 1.00 0.00 H new ATOM 0 HA HIS A 471 -10.115 6.925 -4.653 1.00 0.00 H new ATOM 0 HB2 HIS A 471 -11.218 4.309 -3.581 1.00 0.00 H new ATOM 0 HB3 HIS A 471 -10.710 5.609 -2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 471 -12.344 7.966 -2.664 1.00 0.00 H new ATOM 0 HE1 HIS A 471 -15.497 6.057 -4.765 1.00 0.00 H new ATOM 0 HE2 HIS A 471 -14.818 8.139 -3.466 1.00 0.00 H new ATOM 388 N LEU A 472 -8.301 4.197 -4.391 1.00 0.00 N ATOM 389 CA LEU A 472 -6.983 3.692 -4.020 1.00 0.00 C ATOM 390 C LEU A 472 -5.899 4.300 -4.905 1.00 0.00 C ATOM 391 O LEU A 472 -4.801 4.602 -4.439 1.00 0.00 O ATOM 392 CB LEU A 472 -6.950 2.167 -4.128 1.00 0.00 C ATOM 393 CG LEU A 472 -5.601 1.503 -3.850 1.00 0.00 C ATOM 394 CD1 LEU A 472 -5.454 1.194 -2.368 1.00 0.00 C ATOM 395 CD2 LEU A 472 -5.449 0.236 -4.678 1.00 0.00 C ATOM 0 H LEU A 472 -8.894 3.517 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 472 -6.788 3.980 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -7.684 1.758 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -7.270 1.887 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 472 -4.811 2.197 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -4.488 0.722 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -5.517 2.119 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -6.251 0.519 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -4.483 -0.223 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -6.246 -0.463 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -5.509 0.484 -5.738 1.00 0.00 H new ATOM 407 N ALA A 473 -6.216 4.477 -6.183 1.00 0.00 N ATOM 408 CA ALA A 473 -5.271 5.052 -7.132 1.00 0.00 C ATOM 409 C ALA A 473 -4.701 6.367 -6.611 1.00 0.00 C ATOM 410 O ALA A 473 -3.493 6.597 -6.670 1.00 0.00 O ATOM 411 CB ALA A 473 -5.941 5.264 -8.482 1.00 0.00 C ATOM 0 H ALA A 473 -7.120 4.230 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.445 4.351 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -5.223 5.694 -9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -6.294 4.307 -8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.786 5.943 -8.366 1.00 0.00 H new ATOM 417 N ARG A 474 -5.577 7.226 -6.101 1.00 0.00 N ATOM 418 CA ARG A 474 -5.160 8.519 -5.571 1.00 0.00 C ATOM 419 C ARG A 474 -4.541 8.364 -4.185 1.00 0.00 C ATOM 420 O ARG A 474 -3.721 9.181 -3.765 1.00 0.00 O ATOM 421 CB ARG A 474 -6.353 9.475 -5.504 1.00 0.00 C ATOM 422 CG ARG A 474 -6.677 10.137 -6.833 1.00 0.00 C ATOM 423 CD ARG A 474 -5.875 11.414 -7.030 1.00 0.00 C ATOM 424 NE ARG A 474 -6.595 12.394 -7.838 1.00 0.00 N ATOM 425 CZ ARG A 474 -6.004 13.403 -8.468 1.00 0.00 C ATOM 426 NH1 ARG A 474 -4.691 13.565 -8.383 1.00 0.00 N ATOM 427 NH2 ARG A 474 -6.727 14.254 -9.185 1.00 0.00 N ATOM 0 H ARG A 474 -6.580 7.050 -6.043 1.00 0.00 H new ATOM 0 HA ARG A 474 -4.408 8.933 -6.242 1.00 0.00 H new ATOM 0 HB2 ARG A 474 -7.229 8.926 -5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 474 -6.148 10.248 -4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 474 -6.465 9.444 -7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 474 -7.742 10.365 -6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 474 -5.640 11.848 -6.058 1.00 0.00 H new ATOM 0 HD3 ARG A 474 -4.926 11.175 -7.510 1.00 0.00 H new ATOM 0 HE ARG A 474 -7.607 12.299 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 474 -4.131 12.914 -7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 474 -4.240 14.341 -8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 474 -7.738 14.134 -9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 474 -6.272 15.028 -9.668 1.00 0.00 H new ATOM 441 N HIS A 475 -4.938 7.310 -3.479 1.00 0.00 N ATOM 442 CA HIS A 475 -4.422 7.047 -2.141 1.00 0.00 C ATOM 443 C HIS A 475 -2.947 6.662 -2.193 1.00 0.00 C ATOM 444 O HIS A 475 -2.207 6.873 -1.233 1.00 0.00 O ATOM 445 CB HIS A 475 -5.228 5.935 -1.469 1.00 0.00 C ATOM 446 CG HIS A 475 -4.647 5.477 -0.167 1.00 0.00 C ATOM 447 ND1 HIS A 475 -4.642 6.257 0.970 1.00 0.00 N ATOM 448 CD2 HIS A 475 -4.051 4.311 0.176 1.00 0.00 C ATOM 449 CE1 HIS A 475 -4.067 5.591 1.956 1.00 0.00 C ATOM 450 NE2 HIS A 475 -3.700 4.407 1.500 1.00 0.00 N ATOM 0 H HIS A 475 -5.616 6.624 -3.812 1.00 0.00 H new ATOM 0 HA HIS A 475 -4.520 7.961 -1.555 1.00 0.00 H new ATOM 0 HB2 HIS A 475 -6.246 6.287 -1.300 1.00 0.00 H new ATOM 0 HB3 HIS A 475 -5.294 5.084 -2.147 1.00 0.00 H new ATOM 0 HD1 HIS A 475 -5.023 7.201 1.039 1.00 0.00 H new ATOM 0 HD2 HIS A 475 -3.883 3.463 -0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 475 -3.922 5.953 2.963 1.00 0.00 H new ATOM 458 N GLN A 476 -2.527 6.097 -3.321 1.00 0.00 N ATOM 459 CA GLN A 476 -1.141 5.682 -3.497 1.00 0.00 C ATOM 460 C GLN A 476 -0.213 6.891 -3.548 1.00 0.00 C ATOM 461 O GLN A 476 0.971 6.793 -3.223 1.00 0.00 O ATOM 462 CB GLN A 476 -0.992 4.855 -4.775 1.00 0.00 C ATOM 463 CG GLN A 476 -1.430 3.408 -4.618 1.00 0.00 C ATOM 464 CD GLN A 476 -0.716 2.475 -5.575 1.00 0.00 C ATOM 465 OE1 GLN A 476 -0.574 2.773 -6.761 1.00 0.00 O ATOM 466 NE2 GLN A 476 -0.261 1.336 -5.064 1.00 0.00 N ATOM 0 H GLN A 476 -3.127 5.917 -4.126 1.00 0.00 H new ATOM 0 HA GLN A 476 -0.861 5.068 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.578 5.319 -5.568 1.00 0.00 H new ATOM 0 HB3 GLN A 476 0.050 4.878 -5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -1.243 3.085 -3.594 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -2.505 3.338 -4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 476 -0.401 1.129 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 476 0.228 0.669 -5.661 1.00 0.00 H new ATOM 475 N LEU A 477 -0.757 8.031 -3.960 1.00 0.00 N ATOM 476 CA LEU A 477 0.022 9.261 -4.055 1.00 0.00 C ATOM 477 C LEU A 477 0.709 9.574 -2.730 1.00 0.00 C ATOM 478 O LEU A 477 1.880 9.953 -2.700 1.00 0.00 O ATOM 479 CB LEU A 477 -0.878 10.428 -4.465 1.00 0.00 C ATOM 480 CG LEU A 477 -1.566 10.299 -5.824 1.00 0.00 C ATOM 481 CD1 LEU A 477 -2.329 11.571 -6.158 1.00 0.00 C ATOM 482 CD2 LEU A 477 -0.548 9.984 -6.910 1.00 0.00 C ATOM 0 H LEU A 477 -1.735 8.129 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 477 0.789 9.118 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -1.646 10.554 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -0.279 11.339 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 477 -2.278 9.475 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.812 11.461 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.085 11.753 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -1.637 12.412 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -1.056 9.896 -7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 477 0.189 10.786 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.047 9.045 -6.677 1.00 0.00 H new ATOM 494 N ILE A 478 -0.027 9.411 -1.635 1.00 0.00 N ATOM 495 CA ILE A 478 0.512 9.674 -0.307 1.00 0.00 C ATOM 496 C ILE A 478 1.764 8.842 -0.047 1.00 0.00 C ATOM 497 O ILE A 478 2.608 9.209 0.770 1.00 0.00 O ATOM 498 CB ILE A 478 -0.526 9.376 0.791 1.00 0.00 C ATOM 499 CG1 ILE A 478 -0.137 10.076 2.095 1.00 0.00 C ATOM 500 CG2 ILE A 478 -0.652 7.875 1.007 1.00 0.00 C ATOM 501 CD1 ILE A 478 -1.136 9.872 3.212 1.00 0.00 C ATOM 0 H ILE A 478 -0.998 9.098 -1.642 1.00 0.00 H new ATOM 0 HA ILE A 478 0.769 10.733 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 478 -1.494 9.760 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 478 0.837 9.709 2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -0.029 11.144 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -1.389 7.680 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -0.970 7.399 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.313 7.469 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -0.795 10.396 4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -2.106 10.265 2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.227 8.808 3.429 1.00 0.00 H new ATOM 513 N HIS A 479 1.877 7.719 -0.749 1.00 0.00 N ATOM 514 CA HIS A 479 3.027 6.834 -0.597 1.00 0.00 C ATOM 515 C HIS A 479 4.140 7.218 -1.568 1.00 0.00 C ATOM 516 O HIS A 479 5.317 6.959 -1.314 1.00 0.00 O ATOM 517 CB HIS A 479 2.613 5.380 -0.825 1.00 0.00 C ATOM 518 CG HIS A 479 1.585 4.890 0.147 1.00 0.00 C ATOM 519 ND1 HIS A 479 1.767 4.918 1.513 1.00 0.00 N ATOM 520 CD2 HIS A 479 0.356 4.360 -0.057 1.00 0.00 C ATOM 521 CE1 HIS A 479 0.696 4.423 2.108 1.00 0.00 C ATOM 522 NE2 HIS A 479 -0.175 4.078 1.178 1.00 0.00 N ATOM 0 H HIS A 479 1.187 7.400 -1.429 1.00 0.00 H new ATOM 0 HA HIS A 479 3.404 6.940 0.420 1.00 0.00 H new ATOM 0 HB2 HIS A 479 2.222 5.277 -1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 479 3.496 4.745 -0.758 1.00 0.00 H new ATOM 0 HD1 HIS A 479 2.599 5.266 1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 479 -0.118 4.191 -1.012 1.00 0.00 H new ATOM 0 HE1 HIS A 479 0.557 4.318 3.174 1.00 0.00 H new ATOM 530 N THR A 480 3.760 7.836 -2.682 1.00 0.00 N ATOM 531 CA THR A 480 4.724 8.253 -3.692 1.00 0.00 C ATOM 532 C THR A 480 5.131 9.709 -3.495 1.00 0.00 C ATOM 533 O THR A 480 4.284 10.600 -3.454 1.00 0.00 O ATOM 534 CB THR A 480 4.160 8.076 -5.114 1.00 0.00 C ATOM 535 OG1 THR A 480 3.020 8.923 -5.297 1.00 0.00 O ATOM 536 CG2 THR A 480 3.768 6.628 -5.365 1.00 0.00 C ATOM 0 H THR A 480 2.790 8.059 -2.907 1.00 0.00 H new ATOM 0 HA THR A 480 5.600 7.615 -3.576 1.00 0.00 H new ATOM 0 HB THR A 480 4.937 8.353 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 480 3.049 9.655 -4.646 1.00 0.00 H new ATOM 0 HG21 THR A 480 3.372 6.528 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 480 4.644 5.989 -5.253 1.00 0.00 H new ATOM 0 HG23 THR A 480 3.006 6.327 -4.646 1.00 0.00 H new ATOM 544 N GLY A 481 6.434 9.944 -3.376 1.00 0.00 N ATOM 545 CA GLY A 481 6.930 11.294 -3.186 1.00 0.00 C ATOM 546 C GLY A 481 8.385 11.439 -3.587 1.00 0.00 C ATOM 547 O GLY A 481 8.701 12.122 -4.560 1.00 0.00 O ATOM 0 H GLY A 481 7.155 9.223 -3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 481 6.324 11.986 -3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 481 6.815 11.576 -2.139 1.00 0.00 H new ATOM 551 N GLU A 482 9.272 10.797 -2.833 1.00 0.00 N ATOM 552 CA GLU A 482 10.701 10.861 -3.114 1.00 0.00 C ATOM 553 C GLU A 482 11.330 9.471 -3.054 1.00 0.00 C ATOM 554 O GLU A 482 10.996 8.663 -2.187 1.00 0.00 O ATOM 555 CB GLU A 482 11.398 11.791 -2.120 1.00 0.00 C ATOM 556 CG GLU A 482 12.857 12.056 -2.454 1.00 0.00 C ATOM 557 CD GLU A 482 13.043 13.291 -3.314 1.00 0.00 C ATOM 558 OE1 GLU A 482 12.376 13.389 -4.365 1.00 0.00 O ATOM 559 OE2 GLU A 482 13.858 14.159 -2.936 1.00 0.00 O ATOM 0 H GLU A 482 9.026 10.227 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 482 10.830 11.256 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 482 10.863 12.740 -2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 482 11.336 11.355 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 482 13.422 12.173 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 482 13.270 11.191 -2.973 1.00 0.00 H new ATOM 566 N LYS A 483 12.241 9.200 -3.982 1.00 0.00 N ATOM 567 CA LYS A 483 12.918 7.910 -4.037 1.00 0.00 C ATOM 568 C LYS A 483 14.399 8.086 -4.357 1.00 0.00 C ATOM 569 O LYS A 483 14.829 9.118 -4.873 1.00 0.00 O ATOM 570 CB LYS A 483 12.262 7.010 -5.086 1.00 0.00 C ATOM 571 CG LYS A 483 11.109 6.184 -4.543 1.00 0.00 C ATOM 572 CD LYS A 483 11.458 4.706 -4.492 1.00 0.00 C ATOM 573 CE LYS A 483 10.211 3.842 -4.379 1.00 0.00 C ATOM 574 NZ LYS A 483 9.663 3.481 -5.716 1.00 0.00 N ATOM 0 H LYS A 483 12.528 9.857 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 483 12.829 7.440 -3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 483 11.900 7.628 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 483 13.015 6.339 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 483 10.850 6.532 -3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 483 10.229 6.330 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 483 12.012 4.431 -5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 483 12.113 4.515 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 483 10.448 2.933 -3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 483 9.451 4.374 -3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 483 8.814 2.892 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 483 9.413 4.347 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 483 10.379 2.951 -6.253 1.00 0.00 H new ATOM 588 N PRO A 484 15.199 7.055 -4.047 1.00 0.00 N ATOM 589 CA PRO A 484 16.644 7.072 -4.295 1.00 0.00 C ATOM 590 C PRO A 484 16.977 7.010 -5.782 1.00 0.00 C ATOM 591 O PRO A 484 17.020 5.931 -6.373 1.00 0.00 O ATOM 592 CB PRO A 484 17.141 5.812 -3.583 1.00 0.00 C ATOM 593 CG PRO A 484 15.960 4.903 -3.552 1.00 0.00 C ATOM 594 CD PRO A 484 14.755 5.794 -3.430 1.00 0.00 C ATOM 0 HA PRO A 484 17.108 7.991 -3.938 1.00 0.00 H new ATOM 0 HB2 PRO A 484 17.976 5.358 -4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 484 17.493 6.039 -2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 484 15.909 4.299 -4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 484 16.021 4.212 -2.711 1.00 0.00 H new ATOM 0 HD2 PRO A 484 13.892 5.376 -3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 484 14.464 5.936 -2.389 1.00 0.00 H new ATOM 602 N SER A 485 17.213 8.173 -6.380 1.00 0.00 N ATOM 603 CA SER A 485 17.539 8.250 -7.799 1.00 0.00 C ATOM 604 C SER A 485 18.970 8.740 -8.002 1.00 0.00 C ATOM 605 O SER A 485 19.785 8.068 -8.631 1.00 0.00 O ATOM 606 CB SER A 485 16.562 9.182 -8.519 1.00 0.00 C ATOM 607 OG SER A 485 16.342 10.366 -7.771 1.00 0.00 O ATOM 0 H SER A 485 17.185 9.075 -5.904 1.00 0.00 H new ATOM 0 HA SER A 485 17.453 7.249 -8.221 1.00 0.00 H new ATOM 0 HB2 SER A 485 16.956 9.437 -9.503 1.00 0.00 H new ATOM 0 HB3 SER A 485 15.614 8.668 -8.679 1.00 0.00 H new ATOM 0 HG SER A 485 15.716 10.946 -8.253 1.00 0.00 H new ATOM 613 N GLY A 486 19.267 9.919 -7.463 1.00 0.00 N ATOM 614 CA GLY A 486 20.599 10.480 -7.595 1.00 0.00 C ATOM 615 C GLY A 486 21.491 10.140 -6.417 1.00 0.00 C ATOM 616 O GLY A 486 22.387 9.301 -6.512 1.00 0.00 O ATOM 0 H GLY A 486 18.609 10.495 -6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 486 21.057 10.109 -8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 486 20.526 11.563 -7.691 1.00 0.00 H new ATOM 620 N PRO A 487 21.250 10.803 -5.277 1.00 0.00 N ATOM 621 CA PRO A 487 22.028 10.584 -4.054 1.00 0.00 C ATOM 622 C PRO A 487 21.759 9.218 -3.432 1.00 0.00 C ATOM 623 O PRO A 487 20.770 9.032 -2.723 1.00 0.00 O ATOM 624 CB PRO A 487 21.548 11.700 -3.123 1.00 0.00 C ATOM 625 CG PRO A 487 20.177 12.030 -3.604 1.00 0.00 C ATOM 626 CD PRO A 487 20.198 11.817 -5.092 1.00 0.00 C ATOM 0 HA PRO A 487 23.101 10.602 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 487 21.535 11.371 -2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 487 22.205 12.568 -3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 487 19.432 11.391 -3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 487 19.915 13.060 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 487 19.234 11.468 -5.462 1.00 0.00 H new ATOM 0 HD3 PRO A 487 20.429 12.738 -5.627 1.00 0.00 H new ATOM 634 N SER A 488 22.645 8.265 -3.702 1.00 0.00 N ATOM 635 CA SER A 488 22.501 6.914 -3.172 1.00 0.00 C ATOM 636 C SER A 488 23.298 6.750 -1.881 1.00 0.00 C ATOM 637 O SER A 488 22.741 6.436 -0.830 1.00 0.00 O ATOM 638 CB SER A 488 22.964 5.885 -4.205 1.00 0.00 C ATOM 639 OG SER A 488 22.381 4.617 -3.958 1.00 0.00 O ATOM 0 H SER A 488 23.471 8.403 -4.285 1.00 0.00 H new ATOM 0 HA SER A 488 21.447 6.747 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 488 22.696 6.223 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 488 24.050 5.801 -4.178 1.00 0.00 H new ATOM 0 HG SER A 488 22.691 3.977 -4.633 1.00 0.00 H new ATOM 645 N SER A 489 24.607 6.964 -1.970 1.00 0.00 N ATOM 646 CA SER A 489 25.483 6.835 -0.812 1.00 0.00 C ATOM 647 C SER A 489 25.343 5.457 -0.174 1.00 0.00 C ATOM 648 O SER A 489 25.562 5.289 1.025 1.00 0.00 O ATOM 649 CB SER A 489 25.164 7.921 0.218 1.00 0.00 C ATOM 650 OG SER A 489 24.143 7.498 1.104 1.00 0.00 O ATOM 0 H SER A 489 25.084 7.227 -2.832 1.00 0.00 H new ATOM 0 HA SER A 489 26.512 6.955 -1.151 1.00 0.00 H new ATOM 0 HB2 SER A 489 26.063 8.165 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 489 24.852 8.832 -0.293 1.00 0.00 H new ATOM 0 HG SER A 489 23.360 7.213 0.588 1.00 0.00 H new ATOM 656 N GLY A 490 24.975 4.470 -0.987 1.00 0.00 N ATOM 657 CA GLY A 490 24.810 3.118 -0.485 1.00 0.00 C ATOM 658 C GLY A 490 26.113 2.343 -0.471 1.00 0.00 C ATOM 659 O GLY A 490 26.597 1.967 -1.537 1.00 0.00 O ATOM 0 H GLY A 490 24.788 4.583 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 490 24.402 3.156 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 490 24.083 2.590 -1.103 1.00 0.00 H new TER 663 GLY A 490 HETATM 664 ZN ZN A 201 -1.999 3.182 1.719 1.00 0.00 ZN