USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 459 SER OG : rot 41:sc= 0.357 USER MOD Single : A 460 SER OG : rot 180:sc=-0.00387 USER MOD Single : A 466 GLN : amide:sc= -1.1 K(o=-1.1,f=-4) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 474 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 477 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-0.99) USER MOD Single : A 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.9!) USER MOD Single : A 504 SER OG : rot 180:sc= 0 USER MOD Single : A 507 THR OG1 : rot 180:sc= -0.0294 USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HE2:sc= -2.05 K(o=-2,f=-3.6!) USER MOD Single : A 512 LYS NZ :NH3+ -160:sc= -0.267 (180deg=-1.12) USER MOD Single : A 519 GLN : amide:sc= 1.18 K(o=1.2,f=-0.051) USER MOD Single : A 521 CYS SG : rot -13:sc= 0.0892 USER MOD Single : A 522 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 455 15.471 36.315 2.129 1.00 0.00 N ATOM 2 CA GLY A 455 15.398 35.000 2.738 1.00 0.00 C ATOM 3 C GLY A 455 16.093 34.946 4.084 1.00 0.00 C ATOM 4 O GLY A 455 17.311 35.105 4.169 1.00 0.00 O ATOM 0 HA2 GLY A 455 14.353 34.717 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 455 15.850 34.268 2.069 1.00 0.00 H new ATOM 8 N SER A 456 15.317 34.722 5.140 1.00 0.00 N ATOM 9 CA SER A 456 15.865 34.653 6.490 1.00 0.00 C ATOM 10 C SER A 456 16.631 33.350 6.700 1.00 0.00 C ATOM 11 O SER A 456 16.649 32.481 5.829 1.00 0.00 O ATOM 12 CB SER A 456 14.744 34.771 7.525 1.00 0.00 C ATOM 13 OG SER A 456 13.835 33.689 7.418 1.00 0.00 O ATOM 0 H SER A 456 14.308 34.585 5.087 1.00 0.00 H new ATOM 0 HA SER A 456 16.557 35.486 6.617 1.00 0.00 H new ATOM 0 HB2 SER A 456 15.171 34.793 8.528 1.00 0.00 H new ATOM 0 HB3 SER A 456 14.212 35.712 7.384 1.00 0.00 H new ATOM 0 HG SER A 456 13.129 33.787 8.091 1.00 0.00 H new ATOM 19 N SER A 457 17.262 33.223 7.863 1.00 0.00 N ATOM 20 CA SER A 457 18.034 32.029 8.187 1.00 0.00 C ATOM 21 C SER A 457 17.111 30.847 8.472 1.00 0.00 C ATOM 22 O SER A 457 16.039 31.009 9.052 1.00 0.00 O ATOM 23 CB SER A 457 18.935 32.290 9.395 1.00 0.00 C ATOM 24 OG SER A 457 18.170 32.654 10.532 1.00 0.00 O ATOM 0 H SER A 457 17.254 33.932 8.596 1.00 0.00 H new ATOM 0 HA SER A 457 18.656 31.784 7.326 1.00 0.00 H new ATOM 0 HB2 SER A 457 19.519 31.397 9.617 1.00 0.00 H new ATOM 0 HB3 SER A 457 19.643 33.084 9.160 1.00 0.00 H new ATOM 0 HG SER A 457 18.768 32.814 11.291 1.00 0.00 H new ATOM 30 N GLY A 458 17.538 29.658 8.058 1.00 0.00 N ATOM 31 CA GLY A 458 16.740 28.466 8.277 1.00 0.00 C ATOM 32 C GLY A 458 17.545 27.192 8.117 1.00 0.00 C ATOM 33 O GLY A 458 18.608 27.041 8.719 1.00 0.00 O ATOM 0 H GLY A 458 18.422 29.499 7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 458 16.312 28.498 9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 458 15.907 28.456 7.574 1.00 0.00 H new ATOM 37 N SER A 459 17.037 26.271 7.304 1.00 0.00 N ATOM 38 CA SER A 459 17.713 25.000 7.071 1.00 0.00 C ATOM 39 C SER A 459 18.375 24.982 5.696 1.00 0.00 C ATOM 40 O SER A 459 17.698 24.984 4.669 1.00 0.00 O ATOM 41 CB SER A 459 16.721 23.841 7.187 1.00 0.00 C ATOM 42 OG SER A 459 15.592 24.051 6.356 1.00 0.00 O ATOM 0 H SER A 459 16.160 26.381 6.796 1.00 0.00 H new ATOM 0 HA SER A 459 18.487 24.883 7.830 1.00 0.00 H new ATOM 0 HB2 SER A 459 17.212 22.908 6.909 1.00 0.00 H new ATOM 0 HB3 SER A 459 16.399 23.736 8.223 1.00 0.00 H new ATOM 0 HG SER A 459 15.883 24.421 5.496 1.00 0.00 H new ATOM 48 N SER A 460 19.704 24.964 5.687 1.00 0.00 N ATOM 49 CA SER A 460 20.460 24.949 4.440 1.00 0.00 C ATOM 50 C SER A 460 19.950 23.853 3.509 1.00 0.00 C ATOM 51 O SER A 460 19.206 22.966 3.925 1.00 0.00 O ATOM 52 CB SER A 460 21.949 24.741 4.724 1.00 0.00 C ATOM 53 OG SER A 460 22.731 25.020 3.575 1.00 0.00 O ATOM 0 H SER A 460 20.279 24.959 6.529 1.00 0.00 H new ATOM 0 HA SER A 460 20.322 25.912 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 460 22.260 25.387 5.545 1.00 0.00 H new ATOM 0 HB3 SER A 460 22.121 23.714 5.044 1.00 0.00 H new ATOM 0 HG SER A 460 23.679 24.881 3.783 1.00 0.00 H new ATOM 59 N GLY A 461 20.357 23.922 2.245 1.00 0.00 N ATOM 60 CA GLY A 461 19.932 22.931 1.274 1.00 0.00 C ATOM 61 C GLY A 461 18.438 22.970 1.022 1.00 0.00 C ATOM 62 O GLY A 461 17.692 23.596 1.774 1.00 0.00 O ATOM 0 H GLY A 461 20.973 24.646 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 461 20.460 23.097 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 461 20.212 21.938 1.626 1.00 0.00 H new ATOM 66 N GLU A 462 18.001 22.300 -0.040 1.00 0.00 N ATOM 67 CA GLU A 462 16.586 22.263 -0.389 1.00 0.00 C ATOM 68 C GLU A 462 15.716 22.249 0.864 1.00 0.00 C ATOM 69 O GLU A 462 16.065 21.630 1.870 1.00 0.00 O ATOM 70 CB GLU A 462 16.281 21.033 -1.247 1.00 0.00 C ATOM 71 CG GLU A 462 14.998 21.154 -2.051 1.00 0.00 C ATOM 72 CD GLU A 462 15.005 20.288 -3.296 1.00 0.00 C ATOM 73 OE1 GLU A 462 15.767 20.604 -4.233 1.00 0.00 O ATOM 74 OE2 GLU A 462 14.249 19.295 -3.333 1.00 0.00 O ATOM 0 H GLU A 462 18.606 21.776 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 462 16.356 23.162 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 462 17.113 20.862 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 462 16.214 20.158 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 462 14.152 20.874 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 462 14.851 22.195 -2.338 1.00 0.00 H new ATOM 81 N PHE A 463 14.581 22.937 0.797 1.00 0.00 N ATOM 82 CA PHE A 463 13.661 23.007 1.926 1.00 0.00 C ATOM 83 C PHE A 463 12.919 21.685 2.106 1.00 0.00 C ATOM 84 O PHE A 463 12.582 20.998 1.142 1.00 0.00 O ATOM 85 CB PHE A 463 12.658 24.144 1.725 1.00 0.00 C ATOM 86 CG PHE A 463 12.252 24.339 0.292 1.00 0.00 C ATOM 87 CD1 PHE A 463 11.248 23.566 -0.269 1.00 0.00 C ATOM 88 CD2 PHE A 463 12.873 25.296 -0.494 1.00 0.00 C ATOM 89 CE1 PHE A 463 10.874 23.742 -1.587 1.00 0.00 C ATOM 90 CE2 PHE A 463 12.502 25.478 -1.813 1.00 0.00 C ATOM 91 CZ PHE A 463 11.501 24.701 -2.360 1.00 0.00 C ATOM 0 H PHE A 463 14.276 23.454 -0.028 1.00 0.00 H new ATOM 0 HA PHE A 463 14.244 23.202 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 463 11.769 23.943 2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 463 13.091 25.071 2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 463 10.752 22.817 0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 463 13.656 25.907 -0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 463 10.092 23.131 -2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 463 12.995 26.227 -2.415 1.00 0.00 H new ATOM 0 HZ PHE A 463 11.208 24.842 -3.390 1.00 0.00 H new ATOM 101 N PRO A 464 12.659 21.321 3.370 1.00 0.00 N ATOM 102 CA PRO A 464 11.954 20.080 3.707 1.00 0.00 C ATOM 103 C PRO A 464 10.482 20.123 3.312 1.00 0.00 C ATOM 104 O PRO A 464 9.788 19.108 3.354 1.00 0.00 O ATOM 105 CB PRO A 464 12.098 19.992 5.228 1.00 0.00 C ATOM 106 CG PRO A 464 12.280 21.402 5.673 1.00 0.00 C ATOM 107 CD PRO A 464 13.031 22.091 4.568 1.00 0.00 C ATOM 0 HA PRO A 464 12.365 19.221 3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 464 11.215 19.544 5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 464 12.951 19.375 5.510 1.00 0.00 H new ATOM 0 HG2 PRO A 464 11.318 21.883 5.850 1.00 0.00 H new ATOM 0 HG3 PRO A 464 12.836 21.447 6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 464 12.742 23.138 4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 464 14.107 22.071 4.740 1.00 0.00 H new ATOM 115 N ALA A 465 10.012 21.306 2.930 1.00 0.00 N ATOM 116 CA ALA A 465 8.622 21.481 2.525 1.00 0.00 C ATOM 117 C ALA A 465 8.244 20.500 1.420 1.00 0.00 C ATOM 118 O ALA A 465 8.673 20.646 0.276 1.00 0.00 O ATOM 119 CB ALA A 465 8.381 22.912 2.069 1.00 0.00 C ATOM 0 H ALA A 465 10.573 22.157 2.892 1.00 0.00 H new ATOM 0 HA ALA A 465 7.989 21.276 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 465 7.339 23.028 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 465 8.602 23.597 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 465 9.029 23.138 1.222 1.00 0.00 H new ATOM 125 N GLN A 466 7.440 19.502 1.771 1.00 0.00 N ATOM 126 CA GLN A 466 7.006 18.497 0.808 1.00 0.00 C ATOM 127 C GLN A 466 5.517 18.634 0.512 1.00 0.00 C ATOM 128 O GLN A 466 4.675 18.251 1.324 1.00 0.00 O ATOM 129 CB GLN A 466 7.307 17.092 1.334 1.00 0.00 C ATOM 130 CG GLN A 466 8.792 16.787 1.441 1.00 0.00 C ATOM 131 CD GLN A 466 9.598 17.411 0.320 1.00 0.00 C ATOM 132 OE1 GLN A 466 10.131 18.512 0.461 1.00 0.00 O ATOM 133 NE2 GLN A 466 9.692 16.710 -0.804 1.00 0.00 N ATOM 0 H GLN A 466 7.076 19.368 2.714 1.00 0.00 H new ATOM 0 HA GLN A 466 7.558 18.656 -0.118 1.00 0.00 H new ATOM 0 HB2 GLN A 466 6.849 16.975 2.316 1.00 0.00 H new ATOM 0 HB3 GLN A 466 6.841 16.359 0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 466 9.166 17.151 2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 466 8.939 15.707 1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 466 9.234 15.801 -0.878 1.00 0.00 H new ATOM 0 HE22 GLN A 466 10.222 17.080 -1.593 1.00 0.00 H new ATOM 142 N GLU A 467 5.198 19.182 -0.657 1.00 0.00 N ATOM 143 CA GLU A 467 3.810 19.370 -1.059 1.00 0.00 C ATOM 144 C GLU A 467 3.337 18.217 -1.940 1.00 0.00 C ATOM 145 O GLU A 467 2.596 18.420 -2.903 1.00 0.00 O ATOM 146 CB GLU A 467 3.646 20.696 -1.804 1.00 0.00 C ATOM 147 CG GLU A 467 2.240 21.267 -1.730 1.00 0.00 C ATOM 148 CD GLU A 467 2.165 22.699 -2.224 1.00 0.00 C ATOM 149 OE1 GLU A 467 3.057 23.108 -2.995 1.00 0.00 O ATOM 150 OE2 GLU A 467 1.212 23.409 -1.839 1.00 0.00 O ATOM 0 H GLU A 467 5.883 19.503 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 467 3.198 19.390 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 467 4.346 21.423 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 467 3.915 20.551 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 467 1.568 20.646 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 467 1.888 21.223 -0.699 1.00 0.00 H new ATOM 157 N LEU A 468 3.772 17.008 -1.605 1.00 0.00 N ATOM 158 CA LEU A 468 3.395 15.821 -2.365 1.00 0.00 C ATOM 159 C LEU A 468 2.245 15.082 -1.688 1.00 0.00 C ATOM 160 O LEU A 468 2.224 14.935 -0.466 1.00 0.00 O ATOM 161 CB LEU A 468 4.596 14.887 -2.519 1.00 0.00 C ATOM 162 CG LEU A 468 5.851 15.503 -3.139 1.00 0.00 C ATOM 163 CD1 LEU A 468 6.722 16.134 -2.064 1.00 0.00 C ATOM 164 CD2 LEU A 468 6.634 14.453 -3.914 1.00 0.00 C ATOM 0 H LEU A 468 4.386 16.823 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 468 3.064 16.143 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.856 14.496 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.293 14.036 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 468 5.544 16.284 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 468 7.610 16.567 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 468 6.160 16.916 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 468 7.021 15.372 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 468 7.524 14.909 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 468 6.931 13.649 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 468 6.009 14.047 -4.710 1.00 0.00 H new ATOM 176 N ARG A 469 1.292 14.619 -2.490 1.00 0.00 N ATOM 177 CA ARG A 469 0.139 13.895 -1.967 1.00 0.00 C ATOM 178 C ARG A 469 0.260 12.401 -2.254 1.00 0.00 C ATOM 179 O ARG A 469 -0.728 11.734 -2.561 1.00 0.00 O ATOM 180 CB ARG A 469 -1.152 14.440 -2.579 1.00 0.00 C ATOM 181 CG ARG A 469 -1.682 15.680 -1.879 1.00 0.00 C ATOM 182 CD ARG A 469 -1.112 16.951 -2.489 1.00 0.00 C ATOM 183 NE ARG A 469 -1.821 18.143 -2.033 1.00 0.00 N ATOM 184 CZ ARG A 469 -1.788 19.307 -2.672 1.00 0.00 C ATOM 185 NH1 ARG A 469 -1.085 19.435 -3.788 1.00 0.00 N ATOM 186 NH2 ARG A 469 -2.460 20.347 -2.194 1.00 0.00 N ATOM 0 H ARG A 469 1.295 14.732 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 469 0.110 14.039 -0.887 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -0.976 14.673 -3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -1.915 13.662 -2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -2.770 15.700 -1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -1.428 15.638 -0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -0.057 17.036 -2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -1.169 16.889 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 469 -2.372 18.078 -1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -0.567 18.638 -4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -1.062 20.330 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -3.002 20.253 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -2.434 21.240 -2.685 1.00 0.00 H new ATOM 200 N LYS A 470 1.479 11.881 -2.153 1.00 0.00 N ATOM 201 CA LYS A 470 1.731 10.467 -2.401 1.00 0.00 C ATOM 202 C LYS A 470 1.499 9.644 -1.137 1.00 0.00 C ATOM 203 O LYS A 470 2.258 8.722 -0.838 1.00 0.00 O ATOM 204 CB LYS A 470 3.163 10.262 -2.899 1.00 0.00 C ATOM 205 CG LYS A 470 3.367 8.954 -3.643 1.00 0.00 C ATOM 206 CD LYS A 470 4.843 8.646 -3.836 1.00 0.00 C ATOM 207 CE LYS A 470 5.446 9.486 -4.952 1.00 0.00 C ATOM 208 NZ LYS A 470 5.115 8.940 -6.297 1.00 0.00 N ATOM 0 H LYS A 470 2.308 12.419 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 470 1.034 10.129 -3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 470 3.432 11.089 -3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 470 3.843 10.296 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 470 2.894 8.142 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 470 2.875 9.006 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 470 5.380 8.835 -2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 470 4.968 7.588 -4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 470 5.079 10.510 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 470 6.529 9.526 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 5.544 9.540 -7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 5.487 7.972 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 4.083 8.926 -6.421 1.00 0.00 H new ATOM 222 N TYR A 471 0.446 9.982 -0.402 1.00 0.00 N ATOM 223 CA TYR A 471 0.115 9.274 0.830 1.00 0.00 C ATOM 224 C TYR A 471 -0.475 7.901 0.527 1.00 0.00 C ATOM 225 O TYR A 471 -1.314 7.755 -0.363 1.00 0.00 O ATOM 226 CB TYR A 471 -0.871 10.094 1.664 1.00 0.00 C ATOM 227 CG TYR A 471 -0.365 11.474 2.017 1.00 0.00 C ATOM 228 CD1 TYR A 471 0.586 11.653 3.013 1.00 0.00 C ATOM 229 CD2 TYR A 471 -0.838 12.599 1.353 1.00 0.00 C ATOM 230 CE1 TYR A 471 1.051 12.913 3.340 1.00 0.00 C ATOM 231 CE2 TYR A 471 -0.378 13.863 1.671 1.00 0.00 C ATOM 232 CZ TYR A 471 0.566 14.014 2.666 1.00 0.00 C ATOM 233 OH TYR A 471 1.027 15.270 2.986 1.00 0.00 O ATOM 0 H TYR A 471 -0.193 10.741 -0.637 1.00 0.00 H new ATOM 0 HA TYR A 471 1.034 9.136 1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -1.807 10.189 1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -1.095 9.552 2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 471 0.969 10.793 3.541 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -1.578 12.484 0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 471 1.790 13.034 4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -0.755 14.727 1.144 1.00 0.00 H new ATOM 0 HH TYR A 471 0.585 15.935 2.418 1.00 0.00 H new ATOM 243 N PHE A 472 -0.033 6.896 1.275 1.00 0.00 N ATOM 244 CA PHE A 472 -0.516 5.533 1.088 1.00 0.00 C ATOM 245 C PHE A 472 -1.777 5.285 1.911 1.00 0.00 C ATOM 246 O PHE A 472 -1.707 5.015 3.110 1.00 0.00 O ATOM 247 CB PHE A 472 0.568 4.526 1.480 1.00 0.00 C ATOM 248 CG PHE A 472 1.942 4.912 1.012 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.124 5.511 -0.225 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.051 4.676 1.808 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.387 5.868 -0.658 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.316 5.031 1.380 1.00 0.00 C ATOM 253 CZ PHE A 472 4.485 5.626 0.145 1.00 0.00 C ATOM 0 H PHE A 472 0.659 7.000 2.017 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.759 5.402 0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.579 4.420 2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.313 3.550 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.269 5.701 -0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 472 2.925 4.209 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.516 6.336 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.172 4.843 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.473 5.901 -0.192 1.00 0.00 H new ATOM 263 N LYS A 473 -2.930 5.380 1.257 1.00 0.00 N ATOM 264 CA LYS A 473 -4.209 5.166 1.926 1.00 0.00 C ATOM 265 C LYS A 473 -4.855 3.865 1.461 1.00 0.00 C ATOM 266 O LYS A 473 -4.712 3.469 0.304 1.00 0.00 O ATOM 267 CB LYS A 473 -5.151 6.341 1.656 1.00 0.00 C ATOM 268 CG LYS A 473 -5.563 6.469 0.200 1.00 0.00 C ATOM 269 CD LYS A 473 -5.906 7.905 -0.158 1.00 0.00 C ATOM 270 CE LYS A 473 -4.655 8.731 -0.415 1.00 0.00 C ATOM 271 NZ LYS A 473 -4.973 10.170 -0.626 1.00 0.00 N ATOM 0 H LYS A 473 -3.005 5.604 0.265 1.00 0.00 H new ATOM 0 HA LYS A 473 -4.023 5.096 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -6.045 6.227 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -4.665 7.265 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.754 6.117 -0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -6.424 5.829 0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -6.540 7.918 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -6.480 8.355 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -3.974 8.630 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -4.137 8.342 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -4.094 10.698 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -5.603 10.269 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -5.445 10.549 0.220 1.00 0.00 H new ATOM 285 N MET A 474 -5.568 3.206 2.368 1.00 0.00 N ATOM 286 CA MET A 474 -6.238 1.951 2.049 1.00 0.00 C ATOM 287 C MET A 474 -6.905 2.024 0.679 1.00 0.00 C ATOM 288 O MET A 474 -7.584 2.999 0.360 1.00 0.00 O ATOM 289 CB MET A 474 -7.280 1.618 3.119 1.00 0.00 C ATOM 290 CG MET A 474 -7.778 0.183 3.056 1.00 0.00 C ATOM 291 SD MET A 474 -9.466 0.007 3.665 1.00 0.00 S ATOM 292 CE MET A 474 -10.333 -0.391 2.149 1.00 0.00 C ATOM 0 H MET A 474 -5.697 3.520 3.330 1.00 0.00 H new ATOM 0 HA MET A 474 -5.486 1.162 2.026 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.850 1.802 4.103 1.00 0.00 H new ATOM 0 HB3 MET A 474 -8.129 2.294 3.011 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.729 -0.170 2.026 1.00 0.00 H new ATOM 0 HG3 MET A 474 -7.116 -0.454 3.643 1.00 0.00 H new ATOM 0 HE1 MET A 474 -11.393 -0.530 2.362 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.210 0.423 1.435 1.00 0.00 H new ATOM 0 HE3 MET A 474 -9.924 -1.309 1.726 1.00 0.00 H new ATOM 302 N GLY A 475 -6.706 0.986 -0.127 1.00 0.00 N ATOM 303 CA GLY A 475 -7.295 0.953 -1.454 1.00 0.00 C ATOM 304 C GLY A 475 -6.269 1.172 -2.548 1.00 0.00 C ATOM 305 O GLY A 475 -6.307 0.509 -3.585 1.00 0.00 O ATOM 0 H GLY A 475 -6.148 0.167 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.785 -0.008 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.067 1.719 -1.525 1.00 0.00 H new ATOM 309 N ASP A 476 -5.352 2.104 -2.320 1.00 0.00 N ATOM 310 CA ASP A 476 -4.311 2.409 -3.295 1.00 0.00 C ATOM 311 C ASP A 476 -3.263 1.302 -3.335 1.00 0.00 C ATOM 312 O ASP A 476 -3.138 0.517 -2.395 1.00 0.00 O ATOM 313 CB ASP A 476 -3.647 3.746 -2.963 1.00 0.00 C ATOM 314 CG ASP A 476 -4.477 4.933 -3.413 1.00 0.00 C ATOM 315 OD1 ASP A 476 -4.975 4.908 -4.558 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.628 5.886 -2.620 1.00 0.00 O ATOM 0 H ASP A 476 -5.308 2.663 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.777 2.479 -4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.482 3.809 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.667 3.790 -3.439 1.00 0.00 H new ATOM 321 N HIS A 477 -2.512 1.244 -4.430 1.00 0.00 N ATOM 322 CA HIS A 477 -1.473 0.233 -4.593 1.00 0.00 C ATOM 323 C HIS A 477 -0.099 0.805 -4.258 1.00 0.00 C ATOM 324 O HIS A 477 0.183 1.971 -4.536 1.00 0.00 O ATOM 325 CB HIS A 477 -1.479 -0.308 -6.023 1.00 0.00 C ATOM 326 CG HIS A 477 -0.567 -1.480 -6.224 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.448 -1.492 -7.157 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.522 -2.682 -5.604 1.00 0.00 C ATOM 329 CE1 HIS A 477 1.078 -2.652 -7.103 1.00 0.00 C ATOM 330 NE2 HIS A 477 0.509 -3.392 -6.169 1.00 0.00 N ATOM 0 H HIS A 477 -2.603 1.885 -5.218 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.684 -0.584 -3.902 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.495 -0.599 -6.288 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.188 0.490 -6.706 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -1.175 -3.020 -4.813 1.00 0.00 H new ATOM 0 HE1 HIS A 477 1.916 -2.945 -7.718 1.00 0.00 H new ATOM 0 HE2 HIS A 477 0.790 -4.338 -5.909 1.00 0.00 H new ATOM 338 N VAL A 478 0.751 -0.022 -3.659 1.00 0.00 N ATOM 339 CA VAL A 478 2.095 0.402 -3.286 1.00 0.00 C ATOM 340 C VAL A 478 3.116 -0.695 -3.570 1.00 0.00 C ATOM 341 O VAL A 478 2.813 -1.883 -3.461 1.00 0.00 O ATOM 342 CB VAL A 478 2.170 0.785 -1.796 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.334 2.025 -1.520 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.719 -0.378 -0.924 1.00 0.00 C ATOM 0 H VAL A 478 0.533 -0.990 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 478 2.330 1.278 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 478 3.207 1.014 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.400 2.280 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.708 2.856 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.294 1.829 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 478 1.778 -0.090 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.690 -0.640 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.365 -1.238 -1.101 1.00 0.00 H new ATOM 354 N LYS A 479 4.327 -0.288 -3.934 1.00 0.00 N ATOM 355 CA LYS A 479 5.395 -1.235 -4.232 1.00 0.00 C ATOM 356 C LYS A 479 6.559 -1.066 -3.261 1.00 0.00 C ATOM 357 O LYS A 479 6.782 0.020 -2.726 1.00 0.00 O ATOM 358 CB LYS A 479 5.885 -1.047 -5.670 1.00 0.00 C ATOM 359 CG LYS A 479 7.316 -1.505 -5.889 1.00 0.00 C ATOM 360 CD LYS A 479 7.659 -1.573 -7.368 1.00 0.00 C ATOM 361 CE LYS A 479 9.114 -1.960 -7.585 1.00 0.00 C ATOM 362 NZ LYS A 479 9.306 -3.437 -7.552 1.00 0.00 N ATOM 0 H LYS A 479 4.594 0.692 -4.030 1.00 0.00 H new ATOM 0 HA LYS A 479 4.995 -2.243 -4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.229 -1.598 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.804 0.007 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.999 -0.820 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.458 -2.486 -5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 479 7.011 -2.298 -7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.465 -0.606 -7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.454 -1.571 -8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.732 -1.496 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.310 -3.660 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 9.005 -3.806 -6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 8.736 -3.878 -8.302 1.00 0.00 H new ATOM 376 N VAL A 480 7.300 -2.147 -3.038 1.00 0.00 N ATOM 377 CA VAL A 480 8.443 -2.118 -2.134 1.00 0.00 C ATOM 378 C VAL A 480 9.741 -1.874 -2.896 1.00 0.00 C ATOM 379 O VAL A 480 10.009 -2.523 -3.907 1.00 0.00 O ATOM 380 CB VAL A 480 8.565 -3.432 -1.340 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.458 -3.241 -0.124 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.190 -3.936 -0.929 1.00 0.00 C ATOM 0 H VAL A 480 7.129 -3.054 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 480 8.274 -1.297 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 480 9.024 -4.183 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.532 -4.180 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.451 -2.930 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.031 -2.475 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.295 -4.865 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.701 -3.189 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.587 -4.115 -1.819 1.00 0.00 H new ATOM 392 N ILE A 481 10.542 -0.936 -2.403 1.00 0.00 N ATOM 393 CA ILE A 481 11.813 -0.608 -3.037 1.00 0.00 C ATOM 394 C ILE A 481 12.985 -0.914 -2.110 1.00 0.00 C ATOM 395 O ILE A 481 14.123 -1.052 -2.557 1.00 0.00 O ATOM 396 CB ILE A 481 11.871 0.876 -3.447 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.804 1.773 -2.210 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.739 1.204 -4.408 1.00 0.00 C ATOM 399 CD1 ILE A 481 12.314 3.176 -2.452 1.00 0.00 C ATOM 0 H ILE A 481 10.334 -0.390 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 481 11.889 -1.227 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 481 12.818 1.061 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.771 1.825 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.386 1.317 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.793 2.256 -4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.829 0.585 -5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.782 1.006 -3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 481 12.236 3.755 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 481 13.356 3.135 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.717 3.651 -3.231 1.00 0.00 H new ATOM 411 N ALA A 482 12.697 -1.020 -0.817 1.00 0.00 N ATOM 412 CA ALA A 482 13.726 -1.313 0.173 1.00 0.00 C ATOM 413 C ALA A 482 13.174 -2.182 1.298 1.00 0.00 C ATOM 414 O ALA A 482 12.015 -2.594 1.265 1.00 0.00 O ATOM 415 CB ALA A 482 14.301 -0.022 0.735 1.00 0.00 C ATOM 0 H ALA A 482 11.760 -0.907 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 482 14.523 -1.868 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.068 -0.256 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.741 0.562 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.506 0.555 1.208 1.00 0.00 H new ATOM 421 N GLY A 483 14.012 -2.459 2.292 1.00 0.00 N ATOM 422 CA GLY A 483 13.589 -3.278 3.413 1.00 0.00 C ATOM 423 C GLY A 483 13.867 -4.752 3.190 1.00 0.00 C ATOM 424 O GLY A 483 14.612 -5.120 2.282 1.00 0.00 O ATOM 0 H GLY A 483 14.977 -2.131 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.103 -2.947 4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.522 -3.134 3.582 1.00 0.00 H new ATOM 428 N ARG A 484 13.268 -5.597 4.023 1.00 0.00 N ATOM 429 CA ARG A 484 13.458 -7.039 3.914 1.00 0.00 C ATOM 430 C ARG A 484 12.572 -7.623 2.817 1.00 0.00 C ATOM 431 O ARG A 484 12.666 -8.807 2.494 1.00 0.00 O ATOM 432 CB ARG A 484 13.148 -7.717 5.250 1.00 0.00 C ATOM 433 CG ARG A 484 14.284 -7.631 6.255 1.00 0.00 C ATOM 434 CD ARG A 484 14.461 -6.214 6.776 1.00 0.00 C ATOM 435 NE ARG A 484 15.357 -6.161 7.928 1.00 0.00 N ATOM 436 CZ ARG A 484 15.625 -5.048 8.601 1.00 0.00 C ATOM 437 NH1 ARG A 484 15.068 -3.900 8.239 1.00 0.00 N ATOM 438 NH2 ARG A 484 16.450 -5.081 9.640 1.00 0.00 N ATOM 0 H ARG A 484 12.648 -5.309 4.780 1.00 0.00 H new ATOM 0 HA ARG A 484 14.500 -7.225 3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 484 12.257 -7.260 5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 484 12.913 -8.766 5.069 1.00 0.00 H new ATOM 0 HG2 ARG A 484 14.085 -8.304 7.089 1.00 0.00 H new ATOM 0 HG3 ARG A 484 15.210 -7.967 5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 484 14.856 -5.582 5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 484 13.489 -5.806 7.054 1.00 0.00 H new ATOM 0 HE ARG A 484 15.802 -7.027 8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 484 14.432 -3.871 7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 484 15.276 -3.047 8.758 1.00 0.00 H new ATOM 0 HH21 ARG A 484 16.879 -5.962 9.923 1.00 0.00 H new ATOM 0 HH22 ARG A 484 16.655 -4.225 10.156 1.00 0.00 H new ATOM 452 N PHE A 485 11.712 -6.784 2.249 1.00 0.00 N ATOM 453 CA PHE A 485 10.809 -7.217 1.189 1.00 0.00 C ATOM 454 C PHE A 485 11.001 -6.373 -0.068 1.00 0.00 C ATOM 455 O PHE A 485 10.032 -5.953 -0.699 1.00 0.00 O ATOM 456 CB PHE A 485 9.356 -7.126 1.661 1.00 0.00 C ATOM 457 CG PHE A 485 9.123 -7.746 3.009 1.00 0.00 C ATOM 458 CD1 PHE A 485 9.295 -7.004 4.166 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.733 -9.071 3.118 1.00 0.00 C ATOM 460 CE1 PHE A 485 9.081 -7.571 5.408 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.518 -9.644 4.358 1.00 0.00 C ATOM 462 CZ PHE A 485 8.693 -8.893 5.504 1.00 0.00 C ATOM 0 H PHE A 485 11.621 -5.801 2.505 1.00 0.00 H new ATOM 0 HA PHE A 485 11.042 -8.254 0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 485 9.059 -6.078 1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.713 -7.615 0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.600 -5.970 4.097 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.595 -9.663 2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 485 9.217 -6.981 6.302 1.00 0.00 H new ATOM 0 HE2 PHE A 485 8.214 -10.678 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 485 8.527 -9.339 6.474 1.00 0.00 H new ATOM 472 N GLU A 486 12.259 -6.130 -0.423 1.00 0.00 N ATOM 473 CA GLU A 486 12.578 -5.335 -1.603 1.00 0.00 C ATOM 474 C GLU A 486 12.268 -6.110 -2.881 1.00 0.00 C ATOM 475 O GLU A 486 12.921 -7.106 -3.190 1.00 0.00 O ATOM 476 CB GLU A 486 14.053 -4.927 -1.587 1.00 0.00 C ATOM 477 CG GLU A 486 14.615 -4.622 -2.965 1.00 0.00 C ATOM 478 CD GLU A 486 16.094 -4.286 -2.930 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.432 -3.135 -2.582 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.912 -5.173 -3.251 1.00 0.00 O ATOM 0 H GLU A 486 13.072 -6.472 0.089 1.00 0.00 H new ATOM 0 HA GLU A 486 11.960 -4.438 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.171 -4.048 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.638 -5.728 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 486 14.457 -5.481 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 486 14.067 -3.787 -3.400 1.00 0.00 H new ATOM 487 N GLY A 487 11.265 -5.645 -3.620 1.00 0.00 N ATOM 488 CA GLY A 487 10.885 -6.306 -4.855 1.00 0.00 C ATOM 489 C GLY A 487 9.497 -6.912 -4.784 1.00 0.00 C ATOM 490 O GLY A 487 9.143 -7.764 -5.599 1.00 0.00 O ATOM 0 H GLY A 487 10.709 -4.823 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.923 -5.588 -5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.609 -7.089 -5.082 1.00 0.00 H new ATOM 494 N ASP A 488 8.711 -6.472 -3.808 1.00 0.00 N ATOM 495 CA ASP A 488 7.354 -6.977 -3.634 1.00 0.00 C ATOM 496 C ASP A 488 6.327 -5.885 -3.919 1.00 0.00 C ATOM 497 O ASP A 488 6.672 -4.709 -4.041 1.00 0.00 O ATOM 498 CB ASP A 488 7.165 -7.514 -2.215 1.00 0.00 C ATOM 499 CG ASP A 488 7.612 -8.956 -2.077 1.00 0.00 C ATOM 500 OD1 ASP A 488 8.826 -9.186 -1.889 1.00 0.00 O ATOM 501 OD2 ASP A 488 6.749 -9.855 -2.156 1.00 0.00 O ATOM 0 H ASP A 488 8.990 -5.767 -3.125 1.00 0.00 H new ATOM 0 HA ASP A 488 7.201 -7.789 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 488 7.728 -6.894 -1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.114 -7.434 -1.936 1.00 0.00 H new ATOM 506 N THR A 489 5.063 -6.282 -4.026 1.00 0.00 N ATOM 507 CA THR A 489 3.986 -5.339 -4.299 1.00 0.00 C ATOM 508 C THR A 489 2.666 -5.825 -3.711 1.00 0.00 C ATOM 509 O THR A 489 2.440 -7.027 -3.579 1.00 0.00 O ATOM 510 CB THR A 489 3.808 -5.112 -5.812 1.00 0.00 C ATOM 511 OG1 THR A 489 3.681 -6.370 -6.484 1.00 0.00 O ATOM 512 CG2 THR A 489 4.987 -4.341 -6.386 1.00 0.00 C ATOM 0 H THR A 489 4.760 -7.251 -3.928 1.00 0.00 H new ATOM 0 HA THR A 489 4.265 -4.397 -3.828 1.00 0.00 H new ATOM 0 HB THR A 489 2.902 -4.526 -5.965 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.566 -6.217 -7.445 1.00 0.00 H new ATOM 0 HG21 THR A 489 4.839 -4.193 -7.456 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.063 -3.372 -5.893 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.905 -4.905 -6.222 1.00 0.00 H new ATOM 520 N GLY A 490 1.797 -4.883 -3.359 1.00 0.00 N ATOM 521 CA GLY A 490 0.510 -5.236 -2.790 1.00 0.00 C ATOM 522 C GLY A 490 -0.383 -4.029 -2.580 1.00 0.00 C ATOM 523 O GLY A 490 0.016 -2.897 -2.857 1.00 0.00 O ATOM 0 H GLY A 490 1.961 -3.881 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.008 -5.945 -3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.664 -5.740 -1.836 1.00 0.00 H new ATOM 527 N LEU A 491 -1.594 -4.269 -2.092 1.00 0.00 N ATOM 528 CA LEU A 491 -2.548 -3.192 -1.847 1.00 0.00 C ATOM 529 C LEU A 491 -2.530 -2.772 -0.380 1.00 0.00 C ATOM 530 O LEU A 491 -2.104 -3.534 0.488 1.00 0.00 O ATOM 531 CB LEU A 491 -3.957 -3.631 -2.247 1.00 0.00 C ATOM 532 CG LEU A 491 -4.354 -3.373 -3.701 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.609 -4.152 -4.058 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.562 -1.884 -3.940 1.00 0.00 C ATOM 0 H LEU A 491 -1.940 -5.200 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.256 -2.336 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -4.053 -4.699 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.672 -3.122 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.544 -3.715 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.876 -3.956 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.425 -5.218 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.427 -3.842 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.844 -1.718 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.354 -1.518 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.637 -1.348 -3.725 1.00 0.00 H new ATOM 546 N ILE A 492 -2.998 -1.558 -0.112 1.00 0.00 N ATOM 547 CA ILE A 492 -3.039 -1.039 1.250 1.00 0.00 C ATOM 548 C ILE A 492 -4.319 -1.466 1.962 1.00 0.00 C ATOM 549 O ILE A 492 -5.420 -1.083 1.566 1.00 0.00 O ATOM 550 CB ILE A 492 -2.942 0.497 1.270 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.765 0.967 0.412 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.797 1.000 2.698 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.766 2.456 0.147 1.00 0.00 C ATOM 0 H ILE A 492 -3.354 -0.915 -0.819 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.178 -1.456 1.773 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.860 0.910 0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.833 0.695 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.786 0.437 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.730 2.088 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.664 0.691 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.893 0.582 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.904 2.717 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.681 2.732 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.714 2.994 1.094 1.00 0.00 H new ATOM 565 N VAL A 493 -4.166 -2.260 3.017 1.00 0.00 N ATOM 566 CA VAL A 493 -5.308 -2.736 3.787 1.00 0.00 C ATOM 567 C VAL A 493 -5.333 -2.110 5.177 1.00 0.00 C ATOM 568 O VAL A 493 -6.388 -2.006 5.803 1.00 0.00 O ATOM 569 CB VAL A 493 -5.290 -4.270 3.928 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.749 -4.930 2.636 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.901 -4.753 4.319 1.00 0.00 C ATOM 0 H VAL A 493 -3.262 -2.587 3.358 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.203 -2.439 3.241 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.984 -4.553 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.730 -6.013 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.764 -4.608 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -5.082 -4.642 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.907 -5.839 4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.184 -4.460 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.615 -4.307 5.272 1.00 0.00 H new ATOM 581 N ARG A 494 -4.165 -1.694 5.654 1.00 0.00 N ATOM 582 CA ARG A 494 -4.053 -1.078 6.970 1.00 0.00 C ATOM 583 C ARG A 494 -2.898 -0.081 7.008 1.00 0.00 C ATOM 584 O ARG A 494 -1.796 -0.375 6.544 1.00 0.00 O ATOM 585 CB ARG A 494 -3.850 -2.150 8.043 1.00 0.00 C ATOM 586 CG ARG A 494 -4.382 -1.752 9.410 1.00 0.00 C ATOM 587 CD ARG A 494 -4.777 -2.970 10.230 1.00 0.00 C ATOM 588 NE ARG A 494 -5.696 -2.627 11.312 1.00 0.00 N ATOM 589 CZ ARG A 494 -5.349 -1.904 12.370 1.00 0.00 C ATOM 590 NH1 ARG A 494 -4.109 -1.449 12.489 1.00 0.00 N ATOM 591 NH2 ARG A 494 -6.243 -1.633 13.313 1.00 0.00 N ATOM 0 H ARG A 494 -3.283 -1.772 5.149 1.00 0.00 H new ATOM 0 HA ARG A 494 -4.980 -0.542 7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.342 -3.069 7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -2.786 -2.371 8.127 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.623 -1.182 9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.245 -1.098 9.289 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -5.243 -3.709 9.579 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -3.882 -3.432 10.647 1.00 0.00 H new ATOM 0 HE ARG A 494 -6.658 -2.961 11.251 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -3.419 -1.654 11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -3.845 -0.894 13.303 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -7.198 -1.980 13.225 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -5.975 -1.077 14.125 1.00 0.00 H new ATOM 605 N VAL A 495 -3.158 1.098 7.563 1.00 0.00 N ATOM 606 CA VAL A 495 -2.141 2.138 7.661 1.00 0.00 C ATOM 607 C VAL A 495 -1.966 2.601 9.103 1.00 0.00 C ATOM 608 O VAL A 495 -2.942 2.905 9.790 1.00 0.00 O ATOM 609 CB VAL A 495 -2.493 3.353 6.783 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.290 4.273 6.636 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.995 2.897 5.421 1.00 0.00 C ATOM 0 H VAL A 495 -4.065 1.357 7.952 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.207 1.701 7.306 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.291 3.913 7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.558 5.126 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -0.980 4.626 7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.469 3.727 6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.239 3.768 4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -2.220 2.314 4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.886 2.282 5.549 1.00 0.00 H new ATOM 621 N GLU A 496 -0.718 2.653 9.556 1.00 0.00 N ATOM 622 CA GLU A 496 -0.416 3.079 10.917 1.00 0.00 C ATOM 623 C GLU A 496 0.591 4.226 10.918 1.00 0.00 C ATOM 624 O GLU A 496 1.358 4.391 9.970 1.00 0.00 O ATOM 625 CB GLU A 496 0.130 1.906 11.733 1.00 0.00 C ATOM 626 CG GLU A 496 -0.801 0.706 11.773 1.00 0.00 C ATOM 627 CD GLU A 496 -1.825 0.799 12.888 1.00 0.00 C ATOM 628 OE1 GLU A 496 -1.422 0.752 14.069 1.00 0.00 O ATOM 629 OE2 GLU A 496 -3.029 0.919 12.579 1.00 0.00 O ATOM 0 H GLU A 496 0.101 2.405 9.000 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.341 3.431 11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.088 1.598 11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.321 2.241 12.752 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.317 0.619 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.212 -0.202 11.901 1.00 0.00 H new ATOM 636 N GLU A 497 0.580 5.015 11.988 1.00 0.00 N ATOM 637 CA GLU A 497 1.491 6.147 12.111 1.00 0.00 C ATOM 638 C GLU A 497 2.944 5.683 12.066 1.00 0.00 C ATOM 639 O GLU A 497 3.855 6.481 11.850 1.00 0.00 O ATOM 640 CB GLU A 497 1.226 6.904 13.414 1.00 0.00 C ATOM 641 CG GLU A 497 1.480 6.075 14.662 1.00 0.00 C ATOM 642 CD GLU A 497 0.260 5.288 15.098 1.00 0.00 C ATOM 643 OE1 GLU A 497 -0.693 5.909 15.615 1.00 0.00 O ATOM 644 OE2 GLU A 497 0.257 4.052 14.922 1.00 0.00 O ATOM 0 H GLU A 497 -0.049 4.891 12.781 1.00 0.00 H new ATOM 0 HA GLU A 497 1.315 6.816 11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 497 1.857 7.792 13.443 1.00 0.00 H new ATOM 0 HB3 GLU A 497 0.192 7.248 13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 497 2.304 5.386 14.475 1.00 0.00 H new ATOM 0 HG3 GLU A 497 1.792 6.733 15.473 1.00 0.00 H new ATOM 651 N ASN A 498 3.152 4.386 12.273 1.00 0.00 N ATOM 652 CA ASN A 498 4.494 3.816 12.258 1.00 0.00 C ATOM 653 C ASN A 498 4.803 3.188 10.902 1.00 0.00 C ATOM 654 O ASN A 498 5.730 3.606 10.209 1.00 0.00 O ATOM 655 CB ASN A 498 4.637 2.767 13.362 1.00 0.00 C ATOM 656 CG ASN A 498 6.087 2.486 13.709 1.00 0.00 C ATOM 657 OD1 ASN A 498 6.809 1.852 12.941 1.00 0.00 O ATOM 658 ND2 ASN A 498 6.518 2.960 14.873 1.00 0.00 N ATOM 0 H ASN A 498 2.409 3.711 12.453 1.00 0.00 H new ATOM 0 HA ASN A 498 5.206 4.622 12.437 1.00 0.00 H new ATOM 0 HB2 ASN A 498 4.112 3.109 14.254 1.00 0.00 H new ATOM 0 HB3 ASN A 498 4.156 1.842 13.045 1.00 0.00 H new ATOM 0 HD21 ASN A 498 7.484 2.803 15.161 1.00 0.00 H new ATOM 0 HD22 ASN A 498 5.883 3.481 15.478 1.00 0.00 H new ATOM 665 N PHE A 499 4.018 2.182 10.529 1.00 0.00 N ATOM 666 CA PHE A 499 4.207 1.496 9.257 1.00 0.00 C ATOM 667 C PHE A 499 2.866 1.210 8.588 1.00 0.00 C ATOM 668 O PHE A 499 1.813 1.291 9.222 1.00 0.00 O ATOM 669 CB PHE A 499 4.974 0.188 9.467 1.00 0.00 C ATOM 670 CG PHE A 499 4.714 -0.451 10.801 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.514 -1.096 11.053 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.670 -0.408 11.802 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.272 -1.684 12.280 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.434 -0.996 13.031 1.00 0.00 C ATOM 675 CZ PHE A 499 4.234 -1.635 13.270 1.00 0.00 C ATOM 0 H PHE A 499 3.245 1.824 11.090 1.00 0.00 H new ATOM 0 HA PHE A 499 4.787 2.149 8.604 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.703 -0.514 8.678 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.042 0.382 9.368 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.759 -1.140 10.282 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.611 0.091 11.621 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.331 -2.181 12.465 1.00 0.00 H new ATOM 0 HE2 PHE A 499 6.188 -0.955 13.803 1.00 0.00 H new ATOM 0 HZ PHE A 499 4.048 -2.096 14.229 1.00 0.00 H new ATOM 685 N VAL A 500 2.911 0.875 7.303 1.00 0.00 N ATOM 686 CA VAL A 500 1.700 0.577 6.547 1.00 0.00 C ATOM 687 C VAL A 500 1.657 -0.891 6.136 1.00 0.00 C ATOM 688 O VAL A 500 2.576 -1.390 5.485 1.00 0.00 O ATOM 689 CB VAL A 500 1.594 1.456 5.287 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.323 1.134 4.517 1.00 0.00 C ATOM 691 CG2 VAL A 500 1.643 2.930 5.660 1.00 0.00 C ATOM 0 H VAL A 500 3.773 0.803 6.763 1.00 0.00 H new ATOM 0 HA VAL A 500 0.856 0.793 7.202 1.00 0.00 H new ATOM 0 HB VAL A 500 2.445 1.240 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.265 1.765 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.335 0.086 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.544 1.320 5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.567 3.536 4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 500 0.813 3.165 6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 500 2.585 3.147 6.164 1.00 0.00 H new ATOM 701 N ILE A 501 0.585 -1.575 6.518 1.00 0.00 N ATOM 702 CA ILE A 501 0.421 -2.985 6.187 1.00 0.00 C ATOM 703 C ILE A 501 -0.293 -3.157 4.851 1.00 0.00 C ATOM 704 O ILE A 501 -1.443 -2.746 4.692 1.00 0.00 O ATOM 705 CB ILE A 501 -0.369 -3.732 7.279 1.00 0.00 C ATOM 706 CG1 ILE A 501 0.030 -3.223 8.665 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.134 -5.231 7.170 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.509 -3.355 8.955 1.00 0.00 C ATOM 0 H ILE A 501 -0.183 -1.176 7.057 1.00 0.00 H new ATOM 0 HA ILE A 501 1.422 -3.411 6.119 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.432 -3.540 7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.257 -2.175 8.755 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.531 -3.773 9.421 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.698 -5.745 7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.463 -5.581 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.928 -5.443 7.293 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.719 -2.975 9.955 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.799 -4.404 8.898 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.076 -2.781 8.222 1.00 0.00 H new ATOM 720 N LEU A 502 0.396 -3.769 3.893 1.00 0.00 N ATOM 721 CA LEU A 502 -0.173 -3.997 2.569 1.00 0.00 C ATOM 722 C LEU A 502 -0.357 -5.489 2.306 1.00 0.00 C ATOM 723 O LEU A 502 0.463 -6.309 2.719 1.00 0.00 O ATOM 724 CB LEU A 502 0.726 -3.386 1.494 1.00 0.00 C ATOM 725 CG LEU A 502 1.999 -4.164 1.160 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.578 -3.698 -0.166 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.024 -4.012 2.275 1.00 0.00 C ATOM 0 H LEU A 502 1.348 -4.116 4.008 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.151 -3.516 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.142 -3.275 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.010 -2.384 1.814 1.00 0.00 H new ATOM 0 HG LEU A 502 1.743 -5.220 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.483 -4.263 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 502 1.848 -3.859 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.819 -2.637 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 502 3.924 -4.572 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.275 -2.958 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.608 -4.397 3.206 1.00 0.00 H new ATOM 739 N PHE A 503 -1.439 -5.833 1.615 1.00 0.00 N ATOM 740 CA PHE A 503 -1.730 -7.226 1.295 1.00 0.00 C ATOM 741 C PHE A 503 -0.980 -7.664 0.041 1.00 0.00 C ATOM 742 O PHE A 503 -0.999 -6.976 -0.979 1.00 0.00 O ATOM 743 CB PHE A 503 -3.235 -7.421 1.098 1.00 0.00 C ATOM 744 CG PHE A 503 -3.623 -8.845 0.818 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.638 -9.331 -0.480 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.972 -9.698 1.853 1.00 0.00 C ATOM 747 CE1 PHE A 503 -3.994 -10.640 -0.741 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.329 -11.009 1.597 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.340 -11.480 0.299 1.00 0.00 C ATOM 0 H PHE A 503 -2.128 -5.167 1.266 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.396 -7.843 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.758 -7.079 1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.570 -6.792 0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.368 -8.678 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.965 -9.335 2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.002 -11.006 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.599 -11.664 2.412 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.619 -12.504 0.097 1.00 0.00 H new ATOM 759 N SER A 504 -0.320 -8.815 0.125 1.00 0.00 N ATOM 760 CA SER A 504 0.440 -9.344 -1.001 1.00 0.00 C ATOM 761 C SER A 504 -0.339 -10.446 -1.712 1.00 0.00 C ATOM 762 O SER A 504 -1.012 -11.256 -1.074 1.00 0.00 O ATOM 763 CB SER A 504 1.790 -9.884 -0.523 1.00 0.00 C ATOM 764 OG SER A 504 2.759 -9.820 -1.556 1.00 0.00 O ATOM 0 H SER A 504 -0.296 -9.399 0.961 1.00 0.00 H new ATOM 0 HA SER A 504 0.611 -8.531 -1.707 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.132 -9.308 0.337 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.676 -10.916 -0.191 1.00 0.00 H new ATOM 0 HG SER A 504 3.613 -10.169 -1.225 1.00 0.00 H new ATOM 770 N ASP A 505 -0.241 -10.470 -3.037 1.00 0.00 N ATOM 771 CA ASP A 505 -0.935 -11.473 -3.836 1.00 0.00 C ATOM 772 C ASP A 505 -0.047 -12.691 -4.071 1.00 0.00 C ATOM 773 O ASP A 505 -0.538 -13.796 -4.306 1.00 0.00 O ATOM 774 CB ASP A 505 -1.369 -10.877 -5.176 1.00 0.00 C ATOM 775 CG ASP A 505 -2.605 -11.552 -5.737 1.00 0.00 C ATOM 776 OD1 ASP A 505 -3.607 -11.665 -4.999 1.00 0.00 O ATOM 777 OD2 ASP A 505 -2.572 -11.967 -6.914 1.00 0.00 O ATOM 0 H ASP A 505 0.312 -9.807 -3.580 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.820 -11.792 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -1.566 -9.812 -5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -0.552 -10.968 -5.892 1.00 0.00 H new ATOM 782 N LEU A 506 1.263 -12.482 -4.007 1.00 0.00 N ATOM 783 CA LEU A 506 2.222 -13.562 -4.214 1.00 0.00 C ATOM 784 C LEU A 506 2.213 -14.530 -3.035 1.00 0.00 C ATOM 785 O LEU A 506 2.061 -15.740 -3.211 1.00 0.00 O ATOM 786 CB LEU A 506 3.628 -12.993 -4.410 1.00 0.00 C ATOM 787 CG LEU A 506 3.907 -12.348 -5.769 1.00 0.00 C ATOM 788 CD1 LEU A 506 5.107 -11.418 -5.681 1.00 0.00 C ATOM 789 CD2 LEU A 506 4.134 -13.416 -6.829 1.00 0.00 C ATOM 0 H LEU A 506 1.686 -11.574 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 506 1.930 -14.107 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.809 -12.250 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 506 4.348 -13.797 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 506 3.036 -11.758 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.291 -10.968 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 506 4.906 -10.633 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.985 -11.985 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 506 4.331 -12.939 -7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 506 4.988 -14.032 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 506 3.246 -14.043 -6.910 1.00 0.00 H new ATOM 801 N THR A 507 2.375 -13.991 -1.831 1.00 0.00 N ATOM 802 CA THR A 507 2.385 -14.806 -0.623 1.00 0.00 C ATOM 803 C THR A 507 0.986 -14.929 -0.031 1.00 0.00 C ATOM 804 O THR A 507 0.721 -15.817 0.779 1.00 0.00 O ATOM 805 CB THR A 507 3.331 -14.220 0.443 1.00 0.00 C ATOM 806 OG1 THR A 507 2.953 -12.871 0.744 1.00 0.00 O ATOM 807 CG2 THR A 507 4.774 -14.253 -0.037 1.00 0.00 C ATOM 0 H THR A 507 2.501 -12.992 -1.667 1.00 0.00 H new ATOM 0 HA THR A 507 2.743 -15.794 -0.912 1.00 0.00 H new ATOM 0 HB THR A 507 3.251 -14.829 1.343 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.557 -12.506 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.423 -13.834 0.732 1.00 0.00 H new ATOM 0 HG22 THR A 507 5.067 -15.283 -0.238 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.867 -13.665 -0.950 1.00 0.00 H new ATOM 815 N MET A 508 0.093 -14.034 -0.443 1.00 0.00 N ATOM 816 CA MET A 508 -1.280 -14.045 0.046 1.00 0.00 C ATOM 817 C MET A 508 -1.326 -13.769 1.546 1.00 0.00 C ATOM 818 O MET A 508 -2.095 -14.393 2.278 1.00 0.00 O ATOM 819 CB MET A 508 -1.941 -15.391 -0.257 1.00 0.00 C ATOM 820 CG MET A 508 -1.939 -15.750 -1.734 1.00 0.00 C ATOM 821 SD MET A 508 -3.322 -16.813 -2.193 1.00 0.00 S ATOM 822 CE MET A 508 -3.414 -16.507 -3.955 1.00 0.00 C ATOM 0 H MET A 508 0.296 -13.293 -1.114 1.00 0.00 H new ATOM 0 HA MET A 508 -1.828 -13.255 -0.468 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.425 -16.173 0.299 1.00 0.00 H new ATOM 0 HB3 MET A 508 -2.970 -15.370 0.102 1.00 0.00 H new ATOM 0 HG2 MET A 508 -1.977 -14.836 -2.326 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.003 -16.251 -1.981 1.00 0.00 H new ATOM 0 HE1 MET A 508 -4.225 -17.095 -4.385 1.00 0.00 H new ATOM 0 HE2 MET A 508 -3.601 -15.448 -4.131 1.00 0.00 H new ATOM 0 HE3 MET A 508 -2.472 -16.791 -4.423 1.00 0.00 H new ATOM 832 N HIS A 509 -0.498 -12.832 1.996 1.00 0.00 N ATOM 833 CA HIS A 509 -0.445 -12.474 3.409 1.00 0.00 C ATOM 834 C HIS A 509 -0.205 -10.977 3.582 1.00 0.00 C ATOM 835 O HIS A 509 0.062 -10.267 2.613 1.00 0.00 O ATOM 836 CB HIS A 509 0.657 -13.264 4.116 1.00 0.00 C ATOM 837 CG HIS A 509 0.523 -14.748 3.963 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.669 -15.418 4.139 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.441 -15.691 3.646 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.479 -16.710 3.940 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.793 -16.902 3.638 1.00 0.00 N ATOM 0 H HIS A 509 0.145 -12.307 1.403 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.406 -12.724 3.858 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.625 -12.953 3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 509 0.648 -13.014 5.177 1.00 0.00 H new ATOM 0 HD1 HIS A 509 -1.559 -14.984 4.385 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.487 -15.523 3.438 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.235 -17.478 4.012 1.00 0.00 H new ATOM 849 N GLU A 510 -0.304 -10.506 4.821 1.00 0.00 N ATOM 850 CA GLU A 510 -0.100 -9.093 5.118 1.00 0.00 C ATOM 851 C GLU A 510 1.354 -8.821 5.492 1.00 0.00 C ATOM 852 O GLU A 510 1.910 -9.465 6.383 1.00 0.00 O ATOM 853 CB GLU A 510 -1.022 -8.650 6.256 1.00 0.00 C ATOM 854 CG GLU A 510 -2.424 -8.285 5.797 1.00 0.00 C ATOM 855 CD GLU A 510 -3.313 -7.834 6.939 1.00 0.00 C ATOM 856 OE1 GLU A 510 -3.657 -8.679 7.792 1.00 0.00 O ATOM 857 OE2 GLU A 510 -3.665 -6.637 6.980 1.00 0.00 O ATOM 0 H GLU A 510 -0.524 -11.081 5.634 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.340 -8.521 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -1.087 -9.451 6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.578 -7.791 6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.363 -7.491 5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.878 -9.147 5.307 1.00 0.00 H new ATOM 864 N LEU A 511 1.966 -7.862 4.805 1.00 0.00 N ATOM 865 CA LEU A 511 3.356 -7.504 5.063 1.00 0.00 C ATOM 866 C LEU A 511 3.454 -6.116 5.687 1.00 0.00 C ATOM 867 O LEU A 511 2.821 -5.168 5.222 1.00 0.00 O ATOM 868 CB LEU A 511 4.165 -7.550 3.766 1.00 0.00 C ATOM 869 CG LEU A 511 4.069 -8.847 2.961 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.863 -8.732 1.668 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.561 -10.025 3.788 1.00 0.00 C ATOM 0 H LEU A 511 1.521 -7.319 4.065 1.00 0.00 H new ATOM 0 HA LEU A 511 3.767 -8.229 5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.841 -6.726 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.213 -7.373 4.008 1.00 0.00 H new ATOM 0 HG LEU A 511 3.023 -9.019 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.783 -9.664 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.465 -7.913 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.910 -8.536 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.486 -10.939 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.600 -9.861 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.950 -10.120 4.686 1.00 0.00 H new ATOM 883 N LYS A 512 4.252 -6.002 6.743 1.00 0.00 N ATOM 884 CA LYS A 512 4.437 -4.730 7.431 1.00 0.00 C ATOM 885 C LYS A 512 5.736 -4.059 6.995 1.00 0.00 C ATOM 886 O LYS A 512 6.826 -4.570 7.253 1.00 0.00 O ATOM 887 CB LYS A 512 4.442 -4.941 8.946 1.00 0.00 C ATOM 888 CG LYS A 512 4.725 -3.675 9.736 1.00 0.00 C ATOM 889 CD LYS A 512 5.415 -3.982 11.054 1.00 0.00 C ATOM 890 CE LYS A 512 6.928 -4.012 10.897 1.00 0.00 C ATOM 891 NZ LYS A 512 7.403 -5.314 10.353 1.00 0.00 N ATOM 0 H LYS A 512 4.782 -6.777 7.142 1.00 0.00 H new ATOM 0 HA LYS A 512 3.605 -4.078 7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.475 -5.341 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.192 -5.691 9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.351 -3.008 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 512 3.790 -3.148 9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 512 5.140 -3.230 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 512 5.068 -4.944 11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 512 7.240 -3.206 10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 512 7.397 -3.829 11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 8.413 -5.433 10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 6.861 -6.089 10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 7.267 -5.330 9.322 1.00 0.00 H new ATOM 905 N VAL A 513 5.613 -2.912 6.336 1.00 0.00 N ATOM 906 CA VAL A 513 6.777 -2.171 5.867 1.00 0.00 C ATOM 907 C VAL A 513 6.593 -0.671 6.072 1.00 0.00 C ATOM 908 O VAL A 513 5.482 -0.151 5.969 1.00 0.00 O ATOM 909 CB VAL A 513 7.054 -2.444 4.377 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.453 -1.980 3.999 1.00 0.00 C ATOM 911 CG2 VAL A 513 6.871 -3.921 4.063 1.00 0.00 C ATOM 0 H VAL A 513 4.718 -2.475 6.115 1.00 0.00 H new ATOM 0 HA VAL A 513 7.628 -2.514 6.456 1.00 0.00 H new ATOM 0 HB VAL A 513 6.337 -1.878 3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.630 -2.181 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.544 -0.910 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.189 -2.516 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.071 -4.096 3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.563 -4.509 4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 513 5.848 -4.218 4.293 1.00 0.00 H new ATOM 921 N LEU A 514 7.690 0.019 6.363 1.00 0.00 N ATOM 922 CA LEU A 514 7.651 1.461 6.583 1.00 0.00 C ATOM 923 C LEU A 514 7.267 2.196 5.303 1.00 0.00 C ATOM 924 O LEU A 514 7.530 1.737 4.191 1.00 0.00 O ATOM 925 CB LEU A 514 9.009 1.958 7.082 1.00 0.00 C ATOM 926 CG LEU A 514 9.427 1.482 8.474 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.801 2.026 8.833 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.397 1.901 9.513 1.00 0.00 C ATOM 0 H LEU A 514 8.617 -0.396 6.452 1.00 0.00 H new ATOM 0 HA LEU A 514 6.895 1.668 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.772 1.646 6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 514 8.998 3.048 7.081 1.00 0.00 H new ATOM 0 HG LEU A 514 9.481 0.393 8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.082 1.677 9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.533 1.676 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.774 3.116 8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.711 1.554 10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.311 2.988 9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.431 1.462 9.265 1.00 0.00 H new ATOM 940 N PRO A 515 6.631 3.367 5.461 1.00 0.00 N ATOM 941 CA PRO A 515 6.200 4.192 4.329 1.00 0.00 C ATOM 942 C PRO A 515 7.375 4.819 3.587 1.00 0.00 C ATOM 943 O PRO A 515 7.192 5.514 2.588 1.00 0.00 O ATOM 944 CB PRO A 515 5.343 5.277 4.987 1.00 0.00 C ATOM 945 CG PRO A 515 5.852 5.366 6.384 1.00 0.00 C ATOM 946 CD PRO A 515 6.285 3.975 6.756 1.00 0.00 C ATOM 0 HA PRO A 515 5.670 3.607 3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.443 6.230 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.286 5.013 4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.685 6.065 6.452 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.077 5.727 7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.138 3.988 7.434 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.487 3.426 7.257 1.00 0.00 H new ATOM 954 N ARG A 516 8.583 4.569 4.083 1.00 0.00 N ATOM 955 CA ARG A 516 9.789 5.110 3.467 1.00 0.00 C ATOM 956 C ARG A 516 10.357 4.136 2.438 1.00 0.00 C ATOM 957 O ARG A 516 11.209 4.502 1.628 1.00 0.00 O ATOM 958 CB ARG A 516 10.841 5.412 4.535 1.00 0.00 C ATOM 959 CG ARG A 516 11.375 4.171 5.233 1.00 0.00 C ATOM 960 CD ARG A 516 12.804 4.372 5.710 1.00 0.00 C ATOM 961 NE ARG A 516 13.203 3.361 6.685 1.00 0.00 N ATOM 962 CZ ARG A 516 14.430 3.265 7.185 1.00 0.00 C ATOM 963 NH1 ARG A 516 15.373 4.115 6.803 1.00 0.00 N ATOM 964 NH2 ARG A 516 14.716 2.317 8.069 1.00 0.00 N ATOM 0 H ARG A 516 8.752 3.995 4.909 1.00 0.00 H new ATOM 0 HA ARG A 516 9.523 6.036 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.672 5.945 4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.409 6.080 5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.737 3.928 6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.334 3.322 4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 516 13.480 4.338 4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 516 12.902 5.363 6.154 1.00 0.00 H new ATOM 0 HE ARG A 516 12.501 2.691 7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 516 15.157 4.845 6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 516 16.314 4.039 7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 516 13.993 1.661 8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 516 15.659 2.244 8.452 1.00 0.00 H new ATOM 978 N ASP A 517 9.881 2.897 2.478 1.00 0.00 N ATOM 979 CA ASP A 517 10.342 1.871 1.550 1.00 0.00 C ATOM 980 C ASP A 517 9.247 1.511 0.550 1.00 0.00 C ATOM 981 O ASP A 517 9.424 0.629 -0.291 1.00 0.00 O ATOM 982 CB ASP A 517 10.782 0.621 2.314 1.00 0.00 C ATOM 983 CG ASP A 517 11.504 0.956 3.605 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.622 1.507 3.532 1.00 0.00 O ATOM 985 OD2 ASP A 517 10.951 0.667 4.687 1.00 0.00 O ATOM 0 H ASP A 517 9.176 2.578 3.143 1.00 0.00 H new ATOM 0 HA ASP A 517 11.195 2.270 1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 517 9.908 0.009 2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.436 0.023 1.680 1.00 0.00 H new ATOM 990 N LEU A 518 8.114 2.199 0.649 1.00 0.00 N ATOM 991 CA LEU A 518 6.989 1.951 -0.246 1.00 0.00 C ATOM 992 C LEU A 518 6.843 3.080 -1.262 1.00 0.00 C ATOM 993 O LEU A 518 7.244 4.214 -1.004 1.00 0.00 O ATOM 994 CB LEU A 518 5.696 1.803 0.558 1.00 0.00 C ATOM 995 CG LEU A 518 5.700 0.726 1.643 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.307 0.555 2.231 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.210 -0.594 1.083 1.00 0.00 C ATOM 0 H LEU A 518 7.951 2.932 1.339 1.00 0.00 H new ATOM 0 HA LEU A 518 7.183 1.024 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.471 2.761 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 518 4.883 1.589 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 518 6.372 1.043 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.329 -0.216 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 518 3.979 1.497 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.613 0.261 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.206 -1.349 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.564 -0.917 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.226 -0.463 0.711 1.00 0.00 H new ATOM 1009 N GLN A 519 6.265 2.760 -2.415 1.00 0.00 N ATOM 1010 CA GLN A 519 6.065 3.748 -3.468 1.00 0.00 C ATOM 1011 C GLN A 519 4.723 3.538 -4.163 1.00 0.00 C ATOM 1012 O GLN A 519 4.384 2.421 -4.557 1.00 0.00 O ATOM 1013 CB GLN A 519 7.200 3.670 -4.491 1.00 0.00 C ATOM 1014 CG GLN A 519 8.585 3.756 -3.870 1.00 0.00 C ATOM 1015 CD GLN A 519 9.070 5.184 -3.718 1.00 0.00 C ATOM 1016 OE1 GLN A 519 9.923 5.646 -4.476 1.00 0.00 O ATOM 1017 NE2 GLN A 519 8.526 5.893 -2.736 1.00 0.00 N ATOM 0 H GLN A 519 5.927 1.825 -2.644 1.00 0.00 H new ATOM 0 HA GLN A 519 6.066 4.737 -3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.116 2.734 -5.044 1.00 0.00 H new ATOM 0 HB3 GLN A 519 7.084 4.478 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 519 8.571 3.275 -2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 519 9.291 3.201 -4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 519 7.822 5.470 -2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 519 8.812 6.861 -2.587 1.00 0.00 H new ATOM 1026 N LEU A 520 3.965 4.618 -4.312 1.00 0.00 N ATOM 1027 CA LEU A 520 2.659 4.553 -4.959 1.00 0.00 C ATOM 1028 C LEU A 520 2.796 4.134 -6.420 1.00 0.00 C ATOM 1029 O LEU A 520 3.853 4.304 -7.028 1.00 0.00 O ATOM 1030 CB LEU A 520 1.955 5.908 -4.870 1.00 0.00 C ATOM 1031 CG LEU A 520 1.075 6.127 -3.639 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.313 7.439 -3.754 1.00 0.00 C ATOM 1033 CD2 LEU A 520 0.112 4.963 -3.458 1.00 0.00 C ATOM 0 H LEU A 520 4.232 5.550 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 520 2.061 3.805 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.713 6.691 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.338 6.034 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 520 1.718 6.180 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.308 7.578 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 520 1.020 8.265 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.320 7.416 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.506 5.136 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.526 4.878 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.677 4.040 -3.329 1.00 0.00 H new ATOM 1045 N CYS A 521 1.720 3.588 -6.976 1.00 0.00 N ATOM 1046 CA CYS A 521 1.720 3.146 -8.366 1.00 0.00 C ATOM 1047 C CYS A 521 0.714 3.944 -9.190 1.00 0.00 C ATOM 1048 O CYS A 521 0.931 4.198 -10.375 1.00 0.00 O ATOM 1049 CB CYS A 521 1.395 1.654 -8.448 1.00 0.00 C ATOM 1050 SG CYS A 521 1.179 1.037 -10.134 1.00 0.00 S ATOM 0 H CYS A 521 0.837 3.441 -6.486 1.00 0.00 H new ATOM 0 HA CYS A 521 2.715 3.317 -8.776 1.00 0.00 H new ATOM 0 HB2 CYS A 521 2.195 1.092 -7.967 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.484 1.460 -7.882 1.00 0.00 H new ATOM 0 HG CYS A 521 1.072 2.041 -10.953 1.00 0.00 H new ATOM 1056 N SER A 522 -0.386 4.334 -8.555 1.00 0.00 N ATOM 1057 CA SER A 522 -1.428 5.098 -9.231 1.00 0.00 C ATOM 1058 C SER A 522 -0.947 6.511 -9.547 1.00 0.00 C ATOM 1059 O SER A 522 -1.037 6.968 -10.686 1.00 0.00 O ATOM 1060 CB SER A 522 -2.688 5.158 -8.365 1.00 0.00 C ATOM 1061 OG SER A 522 -3.242 3.867 -8.181 1.00 0.00 O ATOM 0 H SER A 522 -0.579 4.134 -7.574 1.00 0.00 H new ATOM 0 HA SER A 522 -1.663 4.595 -10.169 1.00 0.00 H new ATOM 0 HB2 SER A 522 -2.447 5.595 -7.396 1.00 0.00 H new ATOM 0 HB3 SER A 522 -3.425 5.810 -8.834 1.00 0.00 H new ATOM 0 HG SER A 522 -4.045 3.932 -7.623 1.00 0.00 H new ATOM 1067 N GLU A 523 -0.436 7.197 -8.529 1.00 0.00 N ATOM 1068 CA GLU A 523 0.058 8.559 -8.699 1.00 0.00 C ATOM 1069 C GLU A 523 1.484 8.556 -9.242 1.00 0.00 C ATOM 1070 O GLU A 523 2.450 8.590 -8.480 1.00 0.00 O ATOM 1071 CB GLU A 523 0.010 9.312 -7.367 1.00 0.00 C ATOM 1072 CG GLU A 523 -1.318 10.004 -7.108 1.00 0.00 C ATOM 1073 CD GLU A 523 -2.501 9.067 -7.248 1.00 0.00 C ATOM 1074 OE1 GLU A 523 -2.602 8.115 -6.445 1.00 0.00 O ATOM 1075 OE2 GLU A 523 -3.326 9.284 -8.160 1.00 0.00 O ATOM 0 H GLU A 523 -0.353 6.833 -7.580 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.586 9.065 -9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 523 0.210 8.612 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 523 0.807 10.055 -7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -1.312 10.429 -6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.433 10.834 -7.805 1.00 0.00 H new TER 1082 GLU A 523