USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 452 HIS HE2 : A 452 HIS NE2 : A 489 ZNZN :(H bumps) USER MOD NoAdj-H: A 455 HIS HD1 : A 455 HIS ND1 : A 488 ZNZN :(H bumps) USER MOD NoAdj-H: A 481 HIS HD1 : A 481 HIS ND1 : A 489 ZNZN :(H bumps) USER MOD Single : A 410 SER OG : rot -65:sc= 0.467 USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0091 USER MOD Single : A 420 CYS SG : rot 132:sc= -1.14 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -0.0239 K(o=-0.024,f=-0.78) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -154:sc= -0.177 (180deg=-0.433) USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 448 HIS : no HD1:sc= -0.211 K(o=-0.21,f=-0.95) USER MOD Single : A 457 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 459 MET CE :methyl -165:sc= -6.07! (180deg=-6.82!) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.00255 USER MOD Single : A 468 HIS :FLIP no HD1:sc= -0.862 F(o=-2.3!,f=-0.86) USER MOD Single : A 470 SER OG : rot -21:sc= 0.619! USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 474 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 50:sc= -1.37 USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= -1.49 K(o=-1.5,f=-7!) USER MOD Single : A 483 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 406 40.361 -8.002 1.603 1.00 0.00 N ATOM 2 CA GLY A 406 41.504 -8.847 1.154 1.00 0.00 C ATOM 3 C GLY A 406 41.065 -9.719 -0.027 1.00 0.00 C ATOM 4 O GLY A 406 40.768 -10.885 0.142 1.00 0.00 O ATOM 0 HA2 GLY A 406 42.343 -8.216 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 406 41.849 -9.476 1.975 1.00 0.00 H new ATOM 10 N PRO A 407 41.037 -9.121 -1.192 1.00 0.00 N ATOM 11 CA PRO A 407 40.627 -9.860 -2.412 1.00 0.00 C ATOM 12 C PRO A 407 41.726 -10.836 -2.841 1.00 0.00 C ATOM 13 O PRO A 407 41.458 -11.961 -3.216 1.00 0.00 O ATOM 14 CB PRO A 407 40.442 -8.759 -3.453 1.00 0.00 C ATOM 15 CG PRO A 407 41.308 -7.633 -2.985 1.00 0.00 C ATOM 16 CD PRO A 407 41.378 -7.722 -1.483 1.00 0.00 C ATOM 0 HA PRO A 407 39.728 -10.459 -2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 407 40.740 -9.100 -4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 407 39.398 -8.452 -3.521 1.00 0.00 H new ATOM 0 HG2 PRO A 407 42.304 -7.706 -3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 407 40.893 -6.674 -3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 407 42.372 -7.469 -1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 407 40.678 -7.034 -1.010 1.00 0.00 H new ATOM 24 N LEU A 408 42.962 -10.414 -2.787 1.00 0.00 N ATOM 25 CA LEU A 408 44.079 -11.316 -3.190 1.00 0.00 C ATOM 26 C LEU A 408 45.395 -10.843 -2.563 1.00 0.00 C ATOM 27 O LEU A 408 45.540 -9.695 -2.193 1.00 0.00 O ATOM 28 CB LEU A 408 44.140 -11.217 -4.717 1.00 0.00 C ATOM 29 CG LEU A 408 44.428 -9.771 -5.132 1.00 0.00 C ATOM 30 CD1 LEU A 408 45.928 -9.598 -5.374 1.00 0.00 C ATOM 31 CD2 LEU A 408 43.661 -9.444 -6.419 1.00 0.00 C ATOM 0 H LEU A 408 43.246 -9.483 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 408 43.922 -12.342 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 408 44.917 -11.877 -5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 408 43.196 -11.548 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 408 44.108 -9.096 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 408 46.133 -8.569 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 408 46.473 -9.828 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 408 46.249 -10.274 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 408 43.867 -8.415 -6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 408 43.979 -10.119 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 408 42.592 -9.565 -6.246 1.00 0.00 H new ATOM 43 N GLY A 409 46.355 -11.721 -2.443 1.00 0.00 N ATOM 44 CA GLY A 409 47.661 -11.326 -1.842 1.00 0.00 C ATOM 45 C GLY A 409 48.658 -12.478 -1.977 1.00 0.00 C ATOM 46 O GLY A 409 48.979 -12.908 -3.067 1.00 0.00 O ATOM 0 H GLY A 409 46.290 -12.696 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 409 48.048 -10.437 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 409 47.526 -11.070 -0.791 1.00 0.00 H new ATOM 50 N SER A 410 49.149 -12.982 -0.874 1.00 0.00 N ATOM 51 CA SER A 410 50.129 -14.112 -0.927 1.00 0.00 C ATOM 52 C SER A 410 51.292 -13.772 -1.871 1.00 0.00 C ATOM 53 O SER A 410 51.463 -14.406 -2.892 1.00 0.00 O ATOM 54 CB SER A 410 49.334 -15.305 -1.460 1.00 0.00 C ATOM 55 OG SER A 410 50.205 -16.416 -1.619 1.00 0.00 O ATOM 0 H SER A 410 48.914 -12.660 0.065 1.00 0.00 H new ATOM 0 HA SER A 410 50.568 -14.319 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 410 48.527 -15.556 -0.771 1.00 0.00 H new ATOM 0 HB3 SER A 410 48.871 -15.052 -2.414 1.00 0.00 H new ATOM 0 HG SER A 410 50.871 -16.213 -2.309 1.00 0.00 H new ATOM 61 N PRO A 411 52.055 -12.778 -1.494 1.00 0.00 N ATOM 62 CA PRO A 411 53.211 -12.357 -2.321 1.00 0.00 C ATOM 63 C PRO A 411 54.356 -13.368 -2.199 1.00 0.00 C ATOM 64 O PRO A 411 54.852 -13.876 -3.185 1.00 0.00 O ATOM 65 CB PRO A 411 53.608 -11.009 -1.726 1.00 0.00 C ATOM 66 CG PRO A 411 53.114 -11.043 -0.314 1.00 0.00 C ATOM 67 CD PRO A 411 51.918 -11.961 -0.281 1.00 0.00 C ATOM 0 HA PRO A 411 52.976 -12.295 -3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 411 54.688 -10.865 -1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 411 53.158 -10.186 -2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 411 53.894 -11.403 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 411 52.840 -10.043 0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 411 51.915 -12.579 0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 411 50.984 -11.398 -0.283 1.00 0.00 H new ATOM 75 N GLU A 412 54.777 -13.662 -0.995 1.00 0.00 N ATOM 76 CA GLU A 412 55.893 -14.640 -0.793 1.00 0.00 C ATOM 77 C GLU A 412 57.134 -14.217 -1.593 1.00 0.00 C ATOM 78 O GLU A 412 57.997 -13.525 -1.087 1.00 0.00 O ATOM 79 CB GLU A 412 55.349 -15.985 -1.288 1.00 0.00 C ATOM 80 CG GLU A 412 54.748 -16.756 -0.111 1.00 0.00 C ATOM 81 CD GLU A 412 55.851 -17.541 0.602 1.00 0.00 C ATOM 82 OE1 GLU A 412 56.849 -16.934 0.957 1.00 0.00 O ATOM 83 OE2 GLU A 412 55.682 -18.736 0.780 1.00 0.00 O ATOM 0 H GLU A 412 54.394 -13.265 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 412 56.204 -14.694 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 412 54.592 -15.823 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 412 56.149 -16.566 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 412 54.271 -16.065 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 412 53.974 -17.436 -0.466 1.00 0.00 H new ATOM 90 N PHE A 413 57.234 -14.622 -2.833 1.00 0.00 N ATOM 91 CA PHE A 413 58.419 -14.237 -3.653 1.00 0.00 C ATOM 92 C PHE A 413 58.188 -12.873 -4.308 1.00 0.00 C ATOM 93 O PHE A 413 57.567 -12.772 -5.348 1.00 0.00 O ATOM 94 CB PHE A 413 58.535 -15.330 -4.716 1.00 0.00 C ATOM 95 CG PHE A 413 59.483 -16.404 -4.239 1.00 0.00 C ATOM 96 CD1 PHE A 413 60.858 -16.274 -4.467 1.00 0.00 C ATOM 97 CD2 PHE A 413 58.987 -17.528 -3.569 1.00 0.00 C ATOM 98 CE1 PHE A 413 61.738 -17.270 -4.025 1.00 0.00 C ATOM 99 CE2 PHE A 413 59.867 -18.524 -3.127 1.00 0.00 C ATOM 100 CZ PHE A 413 61.242 -18.395 -3.355 1.00 0.00 C ATOM 0 H PHE A 413 56.546 -15.203 -3.312 1.00 0.00 H new ATOM 0 HA PHE A 413 59.326 -14.152 -3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 413 57.554 -15.760 -4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 413 58.895 -14.904 -5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 413 61.240 -15.406 -4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 413 57.926 -17.627 -3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 413 62.799 -17.170 -4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 413 59.485 -19.392 -2.610 1.00 0.00 H new ATOM 0 HZ PHE A 413 61.920 -19.163 -3.014 1.00 0.00 H new ATOM 110 N GLY A 414 58.682 -11.821 -3.708 1.00 0.00 N ATOM 111 CA GLY A 414 58.489 -10.465 -4.297 1.00 0.00 C ATOM 112 C GLY A 414 59.405 -9.460 -3.596 1.00 0.00 C ATOM 113 O GLY A 414 59.146 -9.039 -2.485 1.00 0.00 O ATOM 0 H GLY A 414 59.210 -11.844 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 414 58.708 -10.488 -5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 414 57.449 -10.158 -4.192 1.00 0.00 H new ATOM 117 N TYR A 415 60.474 -9.069 -4.240 1.00 0.00 N ATOM 118 CA TYR A 415 61.409 -8.087 -3.618 1.00 0.00 C ATOM 119 C TYR A 415 62.427 -7.607 -4.658 1.00 0.00 C ATOM 120 O TYR A 415 62.752 -6.438 -4.730 1.00 0.00 O ATOM 121 CB TYR A 415 62.108 -8.857 -2.490 1.00 0.00 C ATOM 122 CG TYR A 415 61.717 -8.273 -1.149 1.00 0.00 C ATOM 123 CD1 TYR A 415 61.656 -6.884 -0.979 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.418 -9.122 -0.076 1.00 0.00 C ATOM 125 CE1 TYR A 415 61.298 -6.344 0.261 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.059 -8.582 1.165 1.00 0.00 C ATOM 127 CZ TYR A 415 60.999 -7.193 1.333 1.00 0.00 C ATOM 128 OH TYR A 415 60.646 -6.661 2.556 1.00 0.00 O ATOM 0 H TYR A 415 60.740 -9.389 -5.172 1.00 0.00 H new ATOM 0 HA TYR A 415 60.894 -7.203 -3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 415 61.832 -9.911 -2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.189 -8.805 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 415 61.886 -6.229 -1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 415 61.464 -10.193 -0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 415 61.252 -5.273 0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 415 60.828 -9.237 1.993 1.00 0.00 H new ATOM 0 HH TYR A 415 60.470 -7.387 3.190 1.00 0.00 H new ATOM 138 N TRP A 416 62.920 -8.502 -5.469 1.00 0.00 N ATOM 139 CA TRP A 416 63.908 -8.110 -6.519 1.00 0.00 C ATOM 140 C TRP A 416 63.166 -7.482 -7.702 1.00 0.00 C ATOM 141 O TRP A 416 63.221 -7.970 -8.814 1.00 0.00 O ATOM 142 CB TRP A 416 64.572 -9.424 -6.936 1.00 0.00 C ATOM 143 CG TRP A 416 65.265 -10.015 -5.752 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.974 -11.210 -5.189 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.355 -9.450 -4.976 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.820 -11.412 -4.111 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.691 -10.353 -3.942 1.00 0.00 C ATOM 148 CE3 TRP A 416 67.076 -8.251 -5.072 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.710 -10.072 -3.030 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.101 -7.964 -4.163 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.419 -8.871 -3.142 1.00 0.00 C ATOM 0 H TRP A 416 62.681 -9.493 -5.451 1.00 0.00 H new ATOM 0 HA TRP A 416 64.638 -7.381 -6.168 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.825 -10.118 -7.320 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.286 -9.247 -7.740 1.00 0.00 H new ATOM 0 HD1 TRP A 416 64.208 -11.894 -5.525 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.802 -12.240 -3.516 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.839 -7.544 -5.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.949 -10.775 -2.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.650 -7.038 -4.249 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.210 -8.643 -2.443 1.00 0.00 H new ATOM 162 N ILE A 417 62.451 -6.414 -7.462 1.00 0.00 N ATOM 163 CA ILE A 417 61.677 -5.766 -8.564 1.00 0.00 C ATOM 164 C ILE A 417 61.974 -4.265 -8.636 1.00 0.00 C ATOM 165 O ILE A 417 63.022 -3.807 -8.227 1.00 0.00 O ATOM 166 CB ILE A 417 60.209 -6.011 -8.193 1.00 0.00 C ATOM 167 CG1 ILE A 417 59.873 -5.285 -6.880 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.980 -7.511 -8.010 1.00 0.00 C ATOM 169 CD1 ILE A 417 58.626 -4.421 -7.076 1.00 0.00 C ATOM 0 H ILE A 417 62.369 -5.962 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 417 61.934 -6.172 -9.542 1.00 0.00 H new ATOM 0 HB ILE A 417 59.569 -5.631 -8.989 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.704 -6.011 -6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 417 60.713 -4.664 -6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.938 -7.690 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 417 60.214 -8.031 -8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.625 -7.883 -7.214 1.00 0.00 H new ATOM 0 HD11 ILE A 417 58.389 -3.907 -6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 417 58.812 -3.686 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 417 57.787 -5.054 -7.365 1.00 0.00 H new ATOM 181 N THR A 418 61.053 -3.504 -9.159 1.00 0.00 N ATOM 182 CA THR A 418 61.260 -2.031 -9.267 1.00 0.00 C ATOM 183 C THR A 418 60.709 -1.329 -8.022 1.00 0.00 C ATOM 184 O THR A 418 60.138 -1.951 -7.148 1.00 0.00 O ATOM 185 CB THR A 418 60.483 -1.601 -10.515 1.00 0.00 C ATOM 186 OG1 THR A 418 60.371 -2.698 -11.412 1.00 0.00 O ATOM 187 CG2 THR A 418 61.223 -0.454 -11.204 1.00 0.00 C ATOM 0 H THR A 418 60.160 -3.841 -9.519 1.00 0.00 H new ATOM 0 HA THR A 418 62.316 -1.770 -9.341 1.00 0.00 H new ATOM 0 HB THR A 418 59.486 -1.271 -10.223 1.00 0.00 H new ATOM 0 HG1 THR A 418 59.872 -2.420 -12.208 1.00 0.00 H new ATOM 0 HG21 THR A 418 60.671 -0.147 -12.092 1.00 0.00 H new ATOM 0 HG22 THR A 418 61.306 0.389 -10.519 1.00 0.00 H new ATOM 0 HG23 THR A 418 62.220 -0.786 -11.493 1.00 0.00 H new ATOM 195 N CYS A 419 60.883 -0.038 -7.935 1.00 0.00 N ATOM 196 CA CYS A 419 60.379 0.711 -6.744 1.00 0.00 C ATOM 197 C CYS A 419 60.367 2.224 -7.028 1.00 0.00 C ATOM 198 O CYS A 419 59.550 2.956 -6.504 1.00 0.00 O ATOM 199 CB CYS A 419 61.359 0.338 -5.618 1.00 0.00 C ATOM 200 SG CYS A 419 62.718 1.532 -5.513 1.00 0.00 S ATOM 0 H CYS A 419 61.353 0.533 -8.638 1.00 0.00 H new ATOM 0 HA CYS A 419 59.353 0.457 -6.479 1.00 0.00 H new ATOM 0 HB2 CYS A 419 60.828 0.302 -4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 419 61.760 -0.660 -5.797 1.00 0.00 H new ATOM 205 N CYS A 420 61.265 2.691 -7.857 1.00 0.00 N ATOM 206 CA CYS A 420 61.313 4.147 -8.183 1.00 0.00 C ATOM 207 C CYS A 420 61.678 4.328 -9.665 1.00 0.00 C ATOM 208 O CYS A 420 61.742 3.361 -10.398 1.00 0.00 O ATOM 209 CB CYS A 420 62.408 4.711 -7.272 1.00 0.00 C ATOM 210 SG CYS A 420 61.705 5.974 -6.181 1.00 0.00 S ATOM 0 H CYS A 420 61.971 2.122 -8.325 1.00 0.00 H new ATOM 0 HA CYS A 420 60.361 4.654 -8.026 1.00 0.00 H new ATOM 0 HB2 CYS A 420 62.850 3.910 -6.679 1.00 0.00 H new ATOM 0 HB3 CYS A 420 63.209 5.141 -7.873 1.00 0.00 H new ATOM 0 HG CYS A 420 62.077 5.746 -4.957 1.00 0.00 H new ATOM 216 N PRO A 421 61.907 5.555 -10.069 1.00 0.00 N ATOM 217 CA PRO A 421 62.265 5.821 -11.481 1.00 0.00 C ATOM 218 C PRO A 421 63.737 5.470 -11.733 1.00 0.00 C ATOM 219 O PRO A 421 64.159 5.302 -12.861 1.00 0.00 O ATOM 220 CB PRO A 421 62.013 7.317 -11.643 1.00 0.00 C ATOM 221 CG PRO A 421 62.130 7.896 -10.266 1.00 0.00 C ATOM 222 CD PRO A 421 61.861 6.790 -9.272 1.00 0.00 C ATOM 0 HA PRO A 421 61.691 5.226 -12.191 1.00 0.00 H new ATOM 0 HB2 PRO A 421 62.740 7.766 -12.320 1.00 0.00 H new ATOM 0 HB3 PRO A 421 61.026 7.505 -12.065 1.00 0.00 H new ATOM 0 HG2 PRO A 421 63.125 8.314 -10.111 1.00 0.00 H new ATOM 0 HG3 PRO A 421 61.418 8.710 -10.133 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.610 6.778 -8.480 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.891 6.916 -8.792 1.00 0.00 H new ATOM 230 N THR A 422 64.513 5.347 -10.690 1.00 0.00 N ATOM 231 CA THR A 422 65.952 4.992 -10.858 1.00 0.00 C ATOM 232 C THR A 422 66.313 3.857 -9.894 1.00 0.00 C ATOM 233 O THR A 422 67.273 3.937 -9.153 1.00 0.00 O ATOM 234 CB THR A 422 66.721 6.266 -10.505 1.00 0.00 C ATOM 235 OG1 THR A 422 66.374 6.677 -9.190 1.00 0.00 O ATOM 236 CG2 THR A 422 66.361 7.372 -11.499 1.00 0.00 C ATOM 0 H THR A 422 64.211 5.478 -9.725 1.00 0.00 H new ATOM 0 HA THR A 422 66.187 4.650 -11.866 1.00 0.00 H new ATOM 0 HB THR A 422 67.792 6.071 -10.554 1.00 0.00 H new ATOM 0 HG1 THR A 422 66.867 7.492 -8.961 1.00 0.00 H new ATOM 0 HG21 THR A 422 66.909 8.280 -11.247 1.00 0.00 H new ATOM 0 HG22 THR A 422 66.627 7.055 -12.508 1.00 0.00 H new ATOM 0 HG23 THR A 422 65.290 7.570 -11.451 1.00 0.00 H new ATOM 244 N CYS A 423 65.535 2.807 -9.895 1.00 0.00 N ATOM 245 CA CYS A 423 65.807 1.663 -8.976 1.00 0.00 C ATOM 246 C CYS A 423 66.945 0.789 -9.515 1.00 0.00 C ATOM 247 O CYS A 423 67.070 0.575 -10.705 1.00 0.00 O ATOM 248 CB CYS A 423 64.493 0.878 -8.934 1.00 0.00 C ATOM 249 SG CYS A 423 64.705 -0.629 -7.952 1.00 0.00 S ATOM 0 H CYS A 423 64.719 2.692 -10.496 1.00 0.00 H new ATOM 0 HA CYS A 423 66.121 1.996 -7.987 1.00 0.00 H new ATOM 0 HB2 CYS A 423 63.704 1.495 -8.503 1.00 0.00 H new ATOM 0 HB3 CYS A 423 64.180 0.622 -9.946 1.00 0.00 H new ATOM 254 N ASP A 424 67.768 0.279 -8.639 1.00 0.00 N ATOM 255 CA ASP A 424 68.896 -0.589 -9.076 1.00 0.00 C ATOM 256 C ASP A 424 69.106 -1.722 -8.065 1.00 0.00 C ATOM 257 O ASP A 424 70.190 -2.258 -7.935 1.00 0.00 O ATOM 258 CB ASP A 424 70.118 0.333 -9.108 1.00 0.00 C ATOM 259 CG ASP A 424 70.239 1.095 -7.785 1.00 0.00 C ATOM 260 OD1 ASP A 424 69.799 0.568 -6.775 1.00 0.00 O ATOM 261 OD2 ASP A 424 70.768 2.194 -7.804 1.00 0.00 O ATOM 0 H ASP A 424 67.706 0.428 -7.632 1.00 0.00 H new ATOM 0 HA ASP A 424 68.711 -1.053 -10.045 1.00 0.00 H new ATOM 0 HB2 ASP A 424 71.020 -0.253 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 424 70.030 1.037 -9.935 1.00 0.00 H new ATOM 266 N VAL A 425 68.076 -2.087 -7.345 1.00 0.00 N ATOM 267 CA VAL A 425 68.213 -3.182 -6.338 1.00 0.00 C ATOM 268 C VAL A 425 68.291 -4.542 -7.040 1.00 0.00 C ATOM 269 O VAL A 425 67.432 -4.903 -7.821 1.00 0.00 O ATOM 270 CB VAL A 425 66.953 -3.076 -5.466 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.711 -4.389 -4.714 1.00 0.00 C ATOM 272 CG2 VAL A 425 67.142 -1.949 -4.450 1.00 0.00 C ATOM 0 H VAL A 425 67.146 -1.674 -7.411 1.00 0.00 H new ATOM 0 HA VAL A 425 69.122 -3.092 -5.743 1.00 0.00 H new ATOM 0 HB VAL A 425 66.096 -2.870 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.815 -4.297 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.579 -5.200 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.567 -4.605 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.251 -1.868 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 425 68.006 -2.167 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.304 -1.008 -4.976 1.00 0.00 H new ATOM 282 N ASP A 426 69.319 -5.295 -6.760 1.00 0.00 N ATOM 283 CA ASP A 426 69.471 -6.635 -7.394 1.00 0.00 C ATOM 284 C ASP A 426 70.480 -7.467 -6.600 1.00 0.00 C ATOM 285 O ASP A 426 71.603 -7.055 -6.387 1.00 0.00 O ATOM 286 CB ASP A 426 69.996 -6.352 -8.803 1.00 0.00 C ATOM 287 CG ASP A 426 69.396 -7.361 -9.783 1.00 0.00 C ATOM 288 OD1 ASP A 426 68.236 -7.203 -10.129 1.00 0.00 O ATOM 289 OD2 ASP A 426 70.106 -8.272 -10.174 1.00 0.00 O ATOM 0 H ASP A 426 70.066 -5.037 -6.114 1.00 0.00 H new ATOM 0 HA ASP A 426 68.537 -7.196 -7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.734 -5.337 -9.103 1.00 0.00 H new ATOM 0 HB3 ASP A 426 71.084 -6.418 -8.817 1.00 0.00 H new ATOM 294 N ILE A 427 70.088 -8.631 -6.152 1.00 0.00 N ATOM 295 CA ILE A 427 71.028 -9.482 -5.361 1.00 0.00 C ATOM 296 C ILE A 427 72.346 -9.673 -6.119 1.00 0.00 C ATOM 297 O ILE A 427 73.388 -9.868 -5.525 1.00 0.00 O ATOM 298 CB ILE A 427 70.307 -10.818 -5.178 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.196 -11.776 -4.376 1.00 0.00 C ATOM 300 CG2 ILE A 427 69.996 -11.430 -6.546 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.600 -11.988 -2.983 1.00 0.00 C ATOM 0 H ILE A 427 69.160 -9.029 -6.299 1.00 0.00 H new ATOM 0 HA ILE A 427 71.283 -9.028 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 427 69.374 -10.652 -4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.280 -12.731 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.204 -11.369 -4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.482 -12.382 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.358 -10.751 -7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 427 70.926 -11.594 -7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.234 -12.669 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.539 -11.032 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.601 -12.414 -3.076 1.00 0.00 H new ATOM 313 N ASN A 428 72.310 -9.607 -7.424 1.00 0.00 N ATOM 314 CA ASN A 428 73.568 -9.771 -8.213 1.00 0.00 C ATOM 315 C ASN A 428 74.620 -8.775 -7.716 1.00 0.00 C ATOM 316 O ASN A 428 75.809 -8.999 -7.830 1.00 0.00 O ATOM 317 CB ASN A 428 73.177 -9.464 -9.660 1.00 0.00 C ATOM 318 CG ASN A 428 74.316 -9.875 -10.595 1.00 0.00 C ATOM 319 OD1 ASN A 428 74.913 -10.918 -10.421 1.00 0.00 O ATOM 320 ND2 ASN A 428 74.643 -9.094 -11.588 1.00 0.00 N ATOM 0 H ASN A 428 71.468 -9.447 -7.977 1.00 0.00 H new ATOM 0 HA ASN A 428 73.995 -10.769 -8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 428 72.265 -10.000 -9.923 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.965 -8.401 -9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 428 75.400 -9.360 -12.218 1.00 0.00 H new ATOM 0 HD22 ASN A 428 74.142 -8.218 -11.734 1.00 0.00 H new ATOM 327 N THR A 429 74.180 -7.681 -7.155 1.00 0.00 N ATOM 328 CA THR A 429 75.135 -6.664 -6.632 1.00 0.00 C ATOM 329 C THR A 429 74.571 -6.018 -5.360 1.00 0.00 C ATOM 330 O THR A 429 75.007 -4.962 -4.945 1.00 0.00 O ATOM 331 CB THR A 429 75.262 -5.627 -7.749 1.00 0.00 C ATOM 332 OG1 THR A 429 73.967 -5.186 -8.133 1.00 0.00 O ATOM 333 CG2 THR A 429 75.968 -6.253 -8.953 1.00 0.00 C ATOM 0 H THR A 429 73.194 -7.448 -7.036 1.00 0.00 H new ATOM 0 HA THR A 429 76.100 -7.098 -6.369 1.00 0.00 H new ATOM 0 HB THR A 429 75.844 -4.778 -7.392 1.00 0.00 H new ATOM 0 HG1 THR A 429 74.047 -4.520 -8.848 1.00 0.00 H new ATOM 0 HG21 THR A 429 76.057 -5.512 -9.748 1.00 0.00 H new ATOM 0 HG22 THR A 429 76.962 -6.590 -8.657 1.00 0.00 H new ATOM 0 HG23 THR A 429 75.389 -7.103 -9.313 1.00 0.00 H new ATOM 341 N TRP A 430 73.603 -6.647 -4.739 1.00 0.00 N ATOM 342 CA TRP A 430 73.013 -6.069 -3.495 1.00 0.00 C ATOM 343 C TRP A 430 73.452 -6.875 -2.270 1.00 0.00 C ATOM 344 O TRP A 430 73.945 -7.979 -2.385 1.00 0.00 O ATOM 345 CB TRP A 430 71.501 -6.189 -3.663 1.00 0.00 C ATOM 346 CG TRP A 430 70.830 -5.477 -2.545 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.492 -4.167 -2.498 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.420 -6.050 -1.302 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.893 -3.913 -1.272 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.829 -5.059 -0.497 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.520 -7.342 -0.819 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.342 -5.357 0.776 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.036 -7.664 0.458 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.447 -6.669 1.258 1.00 0.00 C ATOM 0 H TRP A 430 73.198 -7.533 -5.040 1.00 0.00 H new ATOM 0 HA TRP A 430 73.334 -5.038 -3.347 1.00 0.00 H new ATOM 0 HB2 TRP A 430 71.194 -5.763 -4.618 1.00 0.00 H new ATOM 0 HB3 TRP A 430 71.206 -7.238 -3.672 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.660 -3.443 -3.281 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.545 -3.000 -0.979 1.00 0.00 H new ATOM 0 HE3 TRP A 430 70.974 -8.109 -1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 68.890 -4.586 1.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.116 -8.676 0.826 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.076 -6.915 2.242 1.00 0.00 H new ATOM 365 N VAL A 431 73.253 -6.330 -1.099 1.00 0.00 N ATOM 366 CA VAL A 431 73.637 -7.054 0.148 1.00 0.00 C ATOM 367 C VAL A 431 72.799 -6.542 1.328 1.00 0.00 C ATOM 368 O VAL A 431 72.176 -5.504 1.232 1.00 0.00 O ATOM 369 CB VAL A 431 75.116 -6.728 0.371 1.00 0.00 C ATOM 370 CG1 VAL A 431 75.961 -7.331 -0.753 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.310 -5.209 0.398 1.00 0.00 C ATOM 0 H VAL A 431 72.839 -5.410 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 431 73.467 -8.128 0.066 1.00 0.00 H new ATOM 0 HB VAL A 431 75.433 -7.153 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 431 77.012 -7.094 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 431 75.831 -8.413 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.643 -6.916 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.364 -4.980 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.985 -4.784 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.719 -4.781 1.208 1.00 0.00 H new ATOM 381 N PRO A 432 72.815 -7.283 2.409 1.00 0.00 N ATOM 382 CA PRO A 432 72.046 -6.879 3.614 1.00 0.00 C ATOM 383 C PRO A 432 72.705 -5.666 4.277 1.00 0.00 C ATOM 384 O PRO A 432 73.870 -5.693 4.622 1.00 0.00 O ATOM 385 CB PRO A 432 72.122 -8.108 4.518 1.00 0.00 C ATOM 386 CG PRO A 432 73.357 -8.829 4.085 1.00 0.00 C ATOM 387 CD PRO A 432 73.536 -8.548 2.615 1.00 0.00 C ATOM 0 HA PRO A 432 71.019 -6.586 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.179 -7.823 5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.238 -8.736 4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.223 -8.486 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.262 -9.900 4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 432 74.589 -8.456 2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.123 -9.349 2.001 1.00 0.00 H new ATOM 395 N PHE A 433 71.970 -4.599 4.451 1.00 0.00 N ATOM 396 CA PHE A 433 72.557 -3.379 5.082 1.00 0.00 C ATOM 397 C PHE A 433 71.801 -3.013 6.364 1.00 0.00 C ATOM 398 O PHE A 433 72.344 -2.387 7.254 1.00 0.00 O ATOM 399 CB PHE A 433 72.395 -2.276 4.032 1.00 0.00 C ATOM 400 CG PHE A 433 73.744 -1.675 3.715 1.00 0.00 C ATOM 401 CD1 PHE A 433 74.528 -1.134 4.740 1.00 0.00 C ATOM 402 CD2 PHE A 433 74.210 -1.660 2.394 1.00 0.00 C ATOM 403 CE1 PHE A 433 75.779 -0.577 4.445 1.00 0.00 C ATOM 404 CE2 PHE A 433 75.460 -1.104 2.100 1.00 0.00 C ATOM 405 CZ PHE A 433 76.245 -0.562 3.125 1.00 0.00 C ATOM 0 H PHE A 433 70.989 -4.519 4.184 1.00 0.00 H new ATOM 0 HA PHE A 433 73.598 -3.528 5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 433 71.946 -2.685 3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 433 71.720 -1.504 4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 433 74.169 -1.146 5.758 1.00 0.00 H new ATOM 0 HD2 PHE A 433 73.605 -2.077 1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 433 76.384 -0.159 5.236 1.00 0.00 H new ATOM 0 HE2 PHE A 433 75.820 -1.093 1.082 1.00 0.00 H new ATOM 0 HZ PHE A 433 77.209 -0.133 2.897 1.00 0.00 H new ATOM 415 N TYR A 434 70.553 -3.388 6.465 1.00 0.00 N ATOM 416 CA TYR A 434 69.770 -3.048 7.693 1.00 0.00 C ATOM 417 C TYR A 434 70.030 -4.090 8.785 1.00 0.00 C ATOM 418 O TYR A 434 70.823 -4.996 8.613 1.00 0.00 O ATOM 419 CB TYR A 434 68.295 -3.071 7.268 1.00 0.00 C ATOM 420 CG TYR A 434 68.137 -2.447 5.898 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.382 -1.080 5.714 1.00 0.00 C ATOM 422 CD2 TYR A 434 67.748 -3.239 4.813 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.238 -0.509 4.443 1.00 0.00 C ATOM 424 CE2 TYR A 434 67.604 -2.669 3.543 1.00 0.00 C ATOM 425 CZ TYR A 434 67.848 -1.303 3.358 1.00 0.00 C ATOM 426 OH TYR A 434 67.705 -0.741 2.107 1.00 0.00 O ATOM 0 H TYR A 434 70.042 -3.913 5.755 1.00 0.00 H new ATOM 0 HA TYR A 434 70.052 -2.076 8.098 1.00 0.00 H new ATOM 0 HB2 TYR A 434 67.929 -4.098 7.253 1.00 0.00 H new ATOM 0 HB3 TYR A 434 67.691 -2.528 7.995 1.00 0.00 H new ATOM 0 HD1 TYR A 434 68.682 -0.467 6.551 1.00 0.00 H new ATOM 0 HD2 TYR A 434 67.558 -4.293 4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.428 0.545 4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.305 -3.283 2.706 1.00 0.00 H new ATOM 0 HH TYR A 434 67.430 -1.431 1.468 1.00 0.00 H new ATOM 436 N SER A 435 69.374 -3.966 9.909 1.00 0.00 N ATOM 437 CA SER A 435 69.590 -4.948 11.014 1.00 0.00 C ATOM 438 C SER A 435 68.547 -6.068 10.947 1.00 0.00 C ATOM 439 O SER A 435 68.879 -7.226 10.784 1.00 0.00 O ATOM 440 CB SER A 435 69.424 -4.138 12.299 1.00 0.00 C ATOM 441 OG SER A 435 70.707 -3.823 12.825 1.00 0.00 O ATOM 0 H SER A 435 68.699 -3.228 10.110 1.00 0.00 H new ATOM 0 HA SER A 435 70.568 -5.426 10.954 1.00 0.00 H new ATOM 0 HB2 SER A 435 68.867 -3.223 12.097 1.00 0.00 H new ATOM 0 HB3 SER A 435 68.849 -4.707 13.029 1.00 0.00 H new ATOM 0 HG SER A 435 70.604 -3.302 13.649 1.00 0.00 H new ATOM 447 N THR A 436 67.292 -5.732 11.072 1.00 0.00 N ATOM 448 CA THR A 436 66.227 -6.778 11.018 1.00 0.00 C ATOM 449 C THR A 436 66.224 -7.463 9.647 1.00 0.00 C ATOM 450 O THR A 436 65.777 -8.585 9.505 1.00 0.00 O ATOM 451 CB THR A 436 64.912 -6.026 11.248 1.00 0.00 C ATOM 452 OG1 THR A 436 63.829 -6.944 11.199 1.00 0.00 O ATOM 453 CG2 THR A 436 64.726 -4.959 10.166 1.00 0.00 C ATOM 0 H THR A 436 66.956 -4.779 11.209 1.00 0.00 H new ATOM 0 HA THR A 436 66.382 -7.560 11.762 1.00 0.00 H new ATOM 0 HB THR A 436 64.940 -5.544 12.225 1.00 0.00 H new ATOM 0 HG1 THR A 436 62.987 -6.465 11.347 1.00 0.00 H new ATOM 0 HG21 THR A 436 63.789 -4.428 10.336 1.00 0.00 H new ATOM 0 HG22 THR A 436 65.555 -4.253 10.205 1.00 0.00 H new ATOM 0 HG23 THR A 436 64.701 -5.435 9.186 1.00 0.00 H new ATOM 461 N GLU A 437 66.716 -6.795 8.640 1.00 0.00 N ATOM 462 CA GLU A 437 66.741 -7.402 7.276 1.00 0.00 C ATOM 463 C GLU A 437 67.591 -8.678 7.276 1.00 0.00 C ATOM 464 O GLU A 437 68.466 -8.852 8.102 1.00 0.00 O ATOM 465 CB GLU A 437 67.373 -6.332 6.382 1.00 0.00 C ATOM 466 CG GLU A 437 67.512 -6.868 4.956 1.00 0.00 C ATOM 467 CD GLU A 437 68.931 -7.397 4.742 1.00 0.00 C ATOM 468 OE1 GLU A 437 69.849 -6.820 5.302 1.00 0.00 O ATOM 469 OE2 GLU A 437 69.078 -8.370 4.020 1.00 0.00 O ATOM 0 H GLU A 437 67.103 -5.853 8.702 1.00 0.00 H new ATOM 0 HA GLU A 437 65.747 -7.688 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 437 66.757 -5.432 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 437 68.351 -6.050 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 437 66.787 -7.663 4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 437 67.295 -6.078 4.237 1.00 0.00 H new ATOM 476 N LEU A 438 67.339 -9.569 6.354 1.00 0.00 N ATOM 477 CA LEU A 438 68.129 -10.834 6.295 1.00 0.00 C ATOM 478 C LEU A 438 68.296 -11.291 4.843 1.00 0.00 C ATOM 479 O LEU A 438 67.445 -11.961 4.291 1.00 0.00 O ATOM 480 CB LEU A 438 67.306 -11.851 7.086 1.00 0.00 C ATOM 481 CG LEU A 438 68.242 -12.859 7.753 1.00 0.00 C ATOM 482 CD1 LEU A 438 67.506 -13.561 8.896 1.00 0.00 C ATOM 483 CD2 LEU A 438 68.691 -13.898 6.722 1.00 0.00 C ATOM 0 H LEU A 438 66.619 -9.475 5.638 1.00 0.00 H new ATOM 0 HA LEU A 438 69.132 -10.713 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 438 66.707 -11.341 7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 438 66.612 -12.367 6.423 1.00 0.00 H new ATOM 0 HG LEU A 438 69.114 -12.338 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 438 68.173 -14.280 9.371 1.00 0.00 H new ATOM 0 HD12 LEU A 438 67.186 -12.822 9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 438 66.634 -14.082 8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 438 69.358 -14.617 7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 438 67.819 -14.419 6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 438 69.216 -13.399 5.907 1.00 0.00 H new ATOM 495 N ASN A 439 69.393 -10.938 4.222 1.00 0.00 N ATOM 496 CA ASN A 439 69.629 -11.352 2.803 1.00 0.00 C ATOM 497 C ASN A 439 68.445 -10.951 1.915 1.00 0.00 C ATOM 498 O ASN A 439 67.933 -11.746 1.152 1.00 0.00 O ATOM 499 CB ASN A 439 69.771 -12.875 2.849 1.00 0.00 C ATOM 500 CG ASN A 439 70.926 -13.308 1.943 1.00 0.00 C ATOM 501 OD1 ASN A 439 72.029 -13.524 2.406 1.00 0.00 O ATOM 502 ND2 ASN A 439 70.718 -13.445 0.662 1.00 0.00 N ATOM 0 H ASN A 439 70.138 -10.379 4.637 1.00 0.00 H new ATOM 0 HA ASN A 439 70.512 -10.870 2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 439 69.955 -13.203 3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 439 68.844 -13.347 2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 439 71.481 -13.733 0.049 1.00 0.00 H new ATOM 0 HD22 ASN A 439 69.793 -13.264 0.273 1.00 0.00 H new ATOM 509 N LYS A 440 68.011 -9.721 2.005 1.00 0.00 N ATOM 510 CA LYS A 440 66.864 -9.265 1.163 1.00 0.00 C ATOM 511 C LYS A 440 66.649 -7.756 1.332 1.00 0.00 C ATOM 512 O LYS A 440 66.895 -7.215 2.390 1.00 0.00 O ATOM 513 CB LYS A 440 65.649 -10.043 1.678 1.00 0.00 C ATOM 514 CG LYS A 440 65.442 -9.755 3.167 1.00 0.00 C ATOM 515 CD LYS A 440 64.177 -10.463 3.654 1.00 0.00 C ATOM 516 CE LYS A 440 64.531 -11.875 4.127 1.00 0.00 C ATOM 517 NZ LYS A 440 63.220 -12.560 4.306 1.00 0.00 N ATOM 0 H LYS A 440 68.401 -9.012 2.625 1.00 0.00 H new ATOM 0 HA LYS A 440 67.038 -9.445 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.759 -9.759 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.797 -11.112 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 440 66.305 -10.097 3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 440 65.356 -8.681 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 440 63.722 -9.899 4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 440 63.442 -10.511 2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 440 65.151 -12.393 3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 440 65.094 -11.849 5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 63.379 -13.535 4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 62.655 -12.048 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 62.710 -12.575 3.400 1.00 0.00 H new ATOM 531 N PRO A 441 66.192 -7.121 0.283 1.00 0.00 N ATOM 532 CA PRO A 441 65.944 -5.657 0.331 1.00 0.00 C ATOM 533 C PRO A 441 64.769 -5.333 1.256 1.00 0.00 C ATOM 534 O PRO A 441 63.821 -6.086 1.362 1.00 0.00 O ATOM 535 CB PRO A 441 65.608 -5.301 -1.115 1.00 0.00 C ATOM 536 CG PRO A 441 65.116 -6.577 -1.718 1.00 0.00 C ATOM 537 CD PRO A 441 65.862 -7.688 -1.030 1.00 0.00 C ATOM 0 HA PRO A 441 66.795 -5.097 0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 441 64.848 -4.521 -1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.484 -4.926 -1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.041 -6.685 -1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.298 -6.594 -2.793 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.249 -8.585 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.759 -7.970 -1.582 1.00 0.00 H new ATOM 545 N ALA A 442 64.825 -4.209 1.920 1.00 0.00 N ATOM 546 CA ALA A 442 63.712 -3.818 2.833 1.00 0.00 C ATOM 547 C ALA A 442 62.772 -2.850 2.113 1.00 0.00 C ATOM 548 O ALA A 442 63.123 -1.719 1.838 1.00 0.00 O ATOM 549 CB ALA A 442 64.392 -3.132 4.018 1.00 0.00 C ATOM 0 H ALA A 442 65.596 -3.543 1.869 1.00 0.00 H new ATOM 0 HA ALA A 442 63.113 -4.670 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.637 -2.814 4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.078 -3.830 4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 442 64.947 -2.262 3.666 1.00 0.00 H new ATOM 555 N MET A 443 61.583 -3.288 1.798 1.00 0.00 N ATOM 556 CA MET A 443 60.622 -2.397 1.084 1.00 0.00 C ATOM 557 C MET A 443 59.907 -1.473 2.075 1.00 0.00 C ATOM 558 O MET A 443 59.740 -1.798 3.233 1.00 0.00 O ATOM 559 CB MET A 443 59.626 -3.346 0.416 1.00 0.00 C ATOM 560 CG MET A 443 60.051 -3.594 -1.032 1.00 0.00 C ATOM 561 SD MET A 443 59.034 -4.913 -1.742 1.00 0.00 S ATOM 562 CE MET A 443 59.110 -4.357 -3.461 1.00 0.00 C ATOM 0 H MET A 443 61.235 -4.224 2.004 1.00 0.00 H new ATOM 0 HA MET A 443 61.120 -1.751 0.361 1.00 0.00 H new ATOM 0 HB2 MET A 443 59.585 -4.289 0.961 1.00 0.00 H new ATOM 0 HB3 MET A 443 58.624 -2.917 0.444 1.00 0.00 H new ATOM 0 HG2 MET A 443 59.940 -2.680 -1.616 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.104 -3.872 -1.071 1.00 0.00 H new ATOM 0 HE1 MET A 443 58.228 -4.709 -3.997 1.00 0.00 H new ATOM 0 HE2 MET A 443 59.141 -3.268 -3.490 1.00 0.00 H new ATOM 0 HE3 MET A 443 60.006 -4.759 -3.934 1.00 0.00 H new ATOM 572 N ILE A 444 59.483 -0.325 1.619 1.00 0.00 N ATOM 573 CA ILE A 444 58.775 0.628 2.516 1.00 0.00 C ATOM 574 C ILE A 444 57.368 0.900 1.978 1.00 0.00 C ATOM 575 O ILE A 444 57.135 0.877 0.783 1.00 0.00 O ATOM 576 CB ILE A 444 59.620 1.903 2.487 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.746 2.410 1.043 1.00 0.00 C ATOM 578 CG2 ILE A 444 61.014 1.609 3.052 1.00 0.00 C ATOM 579 CD1 ILE A 444 59.295 3.871 0.965 1.00 0.00 C ATOM 0 H ILE A 444 59.598 -0.006 0.657 1.00 0.00 H new ATOM 0 HA ILE A 444 58.662 0.242 3.529 1.00 0.00 H new ATOM 0 HB ILE A 444 59.137 2.668 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 444 60.778 2.320 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.138 1.796 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.615 2.518 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.923 1.258 4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.497 0.841 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 444 59.386 4.226 -0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 444 58.256 3.949 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 444 59.921 4.480 1.617 1.00 0.00 H new ATOM 591 N TYR A 445 56.433 1.152 2.854 1.00 0.00 N ATOM 592 CA TYR A 445 55.034 1.422 2.410 1.00 0.00 C ATOM 593 C TYR A 445 54.791 2.935 2.324 1.00 0.00 C ATOM 594 O TYR A 445 54.828 3.636 3.317 1.00 0.00 O ATOM 595 CB TYR A 445 54.161 0.773 3.496 1.00 0.00 C ATOM 596 CG TYR A 445 52.832 1.485 3.609 1.00 0.00 C ATOM 597 CD1 TYR A 445 51.955 1.509 2.519 1.00 0.00 C ATOM 598 CD2 TYR A 445 52.477 2.118 4.807 1.00 0.00 C ATOM 599 CE1 TYR A 445 50.725 2.168 2.625 1.00 0.00 C ATOM 600 CE2 TYR A 445 51.247 2.776 4.913 1.00 0.00 C ATOM 601 CZ TYR A 445 50.370 2.801 3.822 1.00 0.00 C ATOM 602 OH TYR A 445 49.157 3.449 3.927 1.00 0.00 O ATOM 0 H TYR A 445 56.578 1.183 3.863 1.00 0.00 H new ATOM 0 HA TYR A 445 54.814 1.022 1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 445 53.997 -0.278 3.258 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.679 0.806 4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.227 1.019 1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 445 53.153 2.098 5.649 1.00 0.00 H new ATOM 0 HE1 TYR A 445 50.049 2.188 1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 445 50.974 3.265 5.837 1.00 0.00 H new ATOM 0 HH TYR A 445 49.068 3.833 4.824 1.00 0.00 H new ATOM 612 N CYS A 446 54.535 3.441 1.145 1.00 0.00 N ATOM 613 CA CYS A 446 54.283 4.907 1.000 1.00 0.00 C ATOM 614 C CYS A 446 52.937 5.268 1.635 1.00 0.00 C ATOM 615 O CYS A 446 52.003 4.491 1.614 1.00 0.00 O ATOM 616 CB CYS A 446 54.249 5.166 -0.507 1.00 0.00 C ATOM 617 SG CYS A 446 54.336 6.950 -0.818 1.00 0.00 S ATOM 0 H CYS A 446 54.490 2.905 0.279 1.00 0.00 H new ATOM 0 HA CYS A 446 55.047 5.507 1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.084 4.661 -0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.335 4.756 -0.936 1.00 0.00 H new ATOM 622 N SER A 447 52.831 6.441 2.202 1.00 0.00 N ATOM 623 CA SER A 447 51.544 6.848 2.839 1.00 0.00 C ATOM 624 C SER A 447 50.828 7.885 1.970 1.00 0.00 C ATOM 625 O SER A 447 50.837 9.065 2.260 1.00 0.00 O ATOM 626 CB SER A 447 51.943 7.455 4.183 1.00 0.00 C ATOM 627 OG SER A 447 50.933 7.173 5.143 1.00 0.00 O ATOM 0 H SER A 447 53.578 7.133 2.252 1.00 0.00 H new ATOM 0 HA SER A 447 50.858 6.009 2.959 1.00 0.00 H new ATOM 0 HB2 SER A 447 52.898 7.045 4.511 1.00 0.00 H new ATOM 0 HB3 SER A 447 52.076 8.532 4.084 1.00 0.00 H new ATOM 0 HG SER A 447 51.186 7.559 6.007 1.00 0.00 H new ATOM 633 N HIS A 448 50.207 7.452 0.905 1.00 0.00 N ATOM 634 CA HIS A 448 49.487 8.409 0.014 1.00 0.00 C ATOM 635 C HIS A 448 48.181 7.781 -0.482 1.00 0.00 C ATOM 636 O HIS A 448 47.699 6.813 0.073 1.00 0.00 O ATOM 637 CB HIS A 448 50.444 8.656 -1.155 1.00 0.00 C ATOM 638 CG HIS A 448 50.611 10.135 -1.370 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.848 10.757 -1.299 1.00 0.00 N ATOM 640 CD2 HIS A 448 49.708 11.130 -1.655 1.00 0.00 C ATOM 641 CE1 HIS A 448 51.657 12.068 -1.535 1.00 0.00 C ATOM 642 NE2 HIS A 448 50.370 12.349 -1.759 1.00 0.00 N ATOM 0 H HIS A 448 50.167 6.475 0.613 1.00 0.00 H new ATOM 0 HA HIS A 448 49.222 9.335 0.524 1.00 0.00 H new ATOM 0 HB2 HIS A 448 51.411 8.197 -0.949 1.00 0.00 H new ATOM 0 HB3 HIS A 448 50.056 8.189 -2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 448 48.645 10.987 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 448 52.448 12.804 -1.542 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.961 13.261 -1.962 1.00 0.00 H new ATOM 650 N GLY A 449 47.607 8.322 -1.524 1.00 0.00 N ATOM 651 CA GLY A 449 46.335 7.752 -2.057 1.00 0.00 C ATOM 652 C GLY A 449 46.570 6.304 -2.487 1.00 0.00 C ATOM 653 O GLY A 449 45.696 5.464 -2.383 1.00 0.00 O ATOM 0 H GLY A 449 47.964 9.133 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 449 45.557 7.795 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 449 45.985 8.343 -2.904 1.00 0.00 H new ATOM 657 N ASP A 450 47.748 6.005 -2.964 1.00 0.00 N ATOM 658 CA ASP A 450 48.053 4.611 -3.398 1.00 0.00 C ATOM 659 C ASP A 450 49.380 4.153 -2.784 1.00 0.00 C ATOM 660 O ASP A 450 50.380 4.027 -3.464 1.00 0.00 O ATOM 661 CB ASP A 450 48.156 4.678 -4.925 1.00 0.00 C ATOM 662 CG ASP A 450 49.243 5.678 -5.327 1.00 0.00 C ATOM 663 OD1 ASP A 450 48.983 6.868 -5.256 1.00 0.00 O ATOM 664 OD2 ASP A 450 50.317 5.236 -5.701 1.00 0.00 O ATOM 0 H ASP A 450 48.515 6.669 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 450 47.291 3.900 -3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 450 48.389 3.692 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 450 47.198 4.977 -5.351 1.00 0.00 H new ATOM 669 N GLY A 451 49.394 3.907 -1.500 1.00 0.00 N ATOM 670 CA GLY A 451 50.652 3.461 -0.832 1.00 0.00 C ATOM 671 C GLY A 451 51.194 2.211 -1.526 1.00 0.00 C ATOM 672 O GLY A 451 50.467 1.276 -1.799 1.00 0.00 O ATOM 0 H GLY A 451 48.586 3.996 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.395 4.258 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.460 3.249 0.220 1.00 0.00 H new ATOM 676 N HIS A 452 52.470 2.184 -1.801 1.00 0.00 N ATOM 677 CA HIS A 452 53.068 0.990 -2.464 1.00 0.00 C ATOM 678 C HIS A 452 54.304 0.524 -1.704 1.00 0.00 C ATOM 679 O HIS A 452 54.727 1.136 -0.740 1.00 0.00 O ATOM 680 CB HIS A 452 53.436 1.407 -3.896 1.00 0.00 C ATOM 681 CG HIS A 452 54.227 2.695 -3.912 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.435 2.805 -4.586 1.00 0.00 N ATOM 683 CD2 HIS A 452 53.996 3.934 -3.364 1.00 0.00 C ATOM 684 CE1 HIS A 452 55.877 4.067 -4.427 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.036 4.792 -3.688 1.00 0.00 N ATOM 0 H HIS A 452 53.125 2.938 -1.595 1.00 0.00 H new ATOM 0 HA HIS A 452 52.363 0.158 -2.476 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.018 0.616 -4.368 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.527 1.530 -4.485 1.00 0.00 H new ATOM 0 HD1 HIS A 452 55.903 2.064 -5.107 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.134 4.200 -2.770 1.00 0.00 H new ATOM 0 HE1 HIS A 452 56.798 4.445 -4.846 1.00 0.00 H new ATOM 693 N TRP A 453 54.877 -0.562 -2.133 1.00 0.00 N ATOM 694 CA TRP A 453 56.085 -1.101 -1.452 1.00 0.00 C ATOM 695 C TRP A 453 57.330 -0.860 -2.311 1.00 0.00 C ATOM 696 O TRP A 453 57.437 -1.361 -3.414 1.00 0.00 O ATOM 697 CB TRP A 453 55.805 -2.597 -1.326 1.00 0.00 C ATOM 698 CG TRP A 453 55.063 -2.868 -0.057 1.00 0.00 C ATOM 699 CD1 TRP A 453 53.847 -3.458 0.018 1.00 0.00 C ATOM 700 CD2 TRP A 453 55.461 -2.577 1.315 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.474 -3.546 1.347 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.435 -3.017 2.185 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.600 -1.980 1.884 1.00 0.00 C ATOM 704 CZ2 TRP A 453 54.536 -2.870 3.569 1.00 0.00 C ATOM 705 CZ3 TRP A 453 56.705 -1.831 3.276 1.00 0.00 C ATOM 706 CH2 TRP A 453 55.674 -2.276 4.117 1.00 0.00 C ATOM 0 H TRP A 453 54.557 -1.106 -2.935 1.00 0.00 H new ATOM 0 HA TRP A 453 56.273 -0.627 -0.488 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.221 -2.940 -2.180 1.00 0.00 H new ATOM 0 HB3 TRP A 453 56.742 -3.154 -1.336 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.263 -3.804 -0.823 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.596 -3.952 1.669 1.00 0.00 H new ATOM 0 HE3 TRP A 453 57.399 -1.634 1.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 53.739 -3.214 4.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 57.585 -1.371 3.702 1.00 0.00 H new ATOM 0 HH2 TRP A 453 55.761 -2.159 5.187 1.00 0.00 H new ATOM 717 N VAL A 454 58.276 -0.102 -1.818 1.00 0.00 N ATOM 718 CA VAL A 454 59.511 0.158 -2.622 1.00 0.00 C ATOM 719 C VAL A 454 60.758 0.105 -1.730 1.00 0.00 C ATOM 720 O VAL A 454 60.713 0.444 -0.566 1.00 0.00 O ATOM 721 CB VAL A 454 59.322 1.556 -3.216 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.114 1.553 -4.153 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.089 2.568 -2.095 1.00 0.00 C ATOM 0 H VAL A 454 58.249 0.345 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 454 59.656 -0.592 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 454 60.218 1.833 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 454 57.979 2.548 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.279 0.836 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.221 1.272 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 454 58.955 3.561 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.196 2.291 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.950 2.574 -1.426 1.00 0.00 H new ATOM 733 N HIS A 455 61.872 -0.324 -2.270 1.00 0.00 N ATOM 734 CA HIS A 455 63.128 -0.409 -1.453 1.00 0.00 C ATOM 735 C HIS A 455 63.377 0.908 -0.710 1.00 0.00 C ATOM 736 O HIS A 455 63.004 1.970 -1.170 1.00 0.00 O ATOM 737 CB HIS A 455 64.261 -0.670 -2.456 1.00 0.00 C ATOM 738 CG HIS A 455 63.936 -1.859 -3.306 1.00 0.00 C ATOM 739 ND1 HIS A 455 63.879 -1.787 -4.701 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.626 -3.147 -2.979 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.534 -3.014 -5.157 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.376 -3.848 -4.141 1.00 0.00 N ATOM 0 H HIS A 455 61.969 -0.620 -3.241 1.00 0.00 H new ATOM 0 HA HIS A 455 63.061 -1.196 -0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.408 0.207 -3.086 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.196 -0.840 -1.923 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.583 -3.550 -1.978 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.406 -3.274 -6.197 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.116 -4.832 -4.206 1.00 0.00 H new ATOM 750 N ALA A 456 64.004 0.844 0.433 1.00 0.00 N ATOM 751 CA ALA A 456 64.280 2.091 1.206 1.00 0.00 C ATOM 752 C ALA A 456 65.609 2.705 0.762 1.00 0.00 C ATOM 753 O ALA A 456 65.710 3.894 0.537 1.00 0.00 O ATOM 754 CB ALA A 456 64.357 1.644 2.666 1.00 0.00 C ATOM 0 H ALA A 456 64.337 -0.017 0.866 1.00 0.00 H new ATOM 0 HA ALA A 456 63.513 2.850 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 456 64.558 2.507 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.409 1.192 2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.158 0.914 2.781 1.00 0.00 H new ATOM 760 N GLN A 457 66.631 1.899 0.635 1.00 0.00 N ATOM 761 CA GLN A 457 67.957 2.435 0.205 1.00 0.00 C ATOM 762 C GLN A 457 67.834 3.100 -1.171 1.00 0.00 C ATOM 763 O GLN A 457 68.532 4.046 -1.478 1.00 0.00 O ATOM 764 CB GLN A 457 68.878 1.213 0.141 1.00 0.00 C ATOM 765 CG GLN A 457 70.252 1.627 -0.391 1.00 0.00 C ATOM 766 CD GLN A 457 71.153 0.394 -0.494 1.00 0.00 C ATOM 767 OE1 GLN A 457 70.753 -0.620 -1.030 1.00 0.00 O ATOM 768 NE2 GLN A 457 72.359 0.438 0.002 1.00 0.00 N ATOM 0 H GLN A 457 66.605 0.894 0.810 1.00 0.00 H new ATOM 0 HA GLN A 457 68.341 3.193 0.888 1.00 0.00 H new ATOM 0 HB2 GLN A 457 68.980 0.771 1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 457 68.442 0.451 -0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.148 2.097 -1.369 1.00 0.00 H new ATOM 0 HG3 GLN A 457 70.703 2.366 0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 457 72.695 1.290 0.452 1.00 0.00 H new ATOM 0 HE22 GLN A 457 72.966 -0.379 -0.060 1.00 0.00 H new ATOM 777 N CYS A 458 66.944 2.617 -1.999 1.00 0.00 N ATOM 778 CA CYS A 458 66.769 3.227 -3.351 1.00 0.00 C ATOM 779 C CYS A 458 66.357 4.697 -3.213 1.00 0.00 C ATOM 780 O CYS A 458 66.511 5.484 -4.128 1.00 0.00 O ATOM 781 CB CYS A 458 65.649 2.422 -4.014 1.00 0.00 C ATOM 782 SG CYS A 458 66.361 1.051 -4.958 1.00 0.00 S ATOM 0 H CYS A 458 66.331 1.827 -1.798 1.00 0.00 H new ATOM 0 HA CYS A 458 67.688 3.201 -3.936 1.00 0.00 H new ATOM 0 HB2 CYS A 458 64.966 2.039 -3.256 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.066 3.066 -4.673 1.00 0.00 H new ATOM 787 N MET A 459 65.833 5.071 -2.075 1.00 0.00 N ATOM 788 CA MET A 459 65.406 6.486 -1.871 1.00 0.00 C ATOM 789 C MET A 459 66.516 7.283 -1.183 1.00 0.00 C ATOM 790 O MET A 459 66.259 8.168 -0.390 1.00 0.00 O ATOM 791 CB MET A 459 64.171 6.391 -0.972 1.00 0.00 C ATOM 792 CG MET A 459 62.900 6.413 -1.828 1.00 0.00 C ATOM 793 SD MET A 459 62.957 5.080 -3.053 1.00 0.00 S ATOM 794 CE MET A 459 61.656 4.056 -2.329 1.00 0.00 C ATOM 0 H MET A 459 65.682 4.455 -1.276 1.00 0.00 H new ATOM 0 HA MET A 459 65.192 6.997 -2.810 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.208 5.474 -0.384 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.159 7.222 -0.266 1.00 0.00 H new ATOM 0 HG2 MET A 459 62.022 6.297 -1.193 1.00 0.00 H new ATOM 0 HG3 MET A 459 62.806 7.376 -2.330 1.00 0.00 H new ATOM 0 HE1 MET A 459 61.696 3.057 -2.762 1.00 0.00 H new ATOM 0 HE2 MET A 459 61.802 3.990 -1.251 1.00 0.00 H new ATOM 0 HE3 MET A 459 60.684 4.503 -2.537 1.00 0.00 H new ATOM 804 N ASP A 460 67.754 6.978 -1.481 1.00 0.00 N ATOM 805 CA ASP A 460 68.891 7.715 -0.849 1.00 0.00 C ATOM 806 C ASP A 460 68.747 7.723 0.677 1.00 0.00 C ATOM 807 O ASP A 460 69.115 8.674 1.338 1.00 0.00 O ATOM 808 CB ASP A 460 68.801 9.139 -1.403 1.00 0.00 C ATOM 809 CG ASP A 460 70.208 9.658 -1.709 1.00 0.00 C ATOM 810 OD1 ASP A 460 70.914 9.988 -0.771 1.00 0.00 O ATOM 811 OD2 ASP A 460 70.555 9.716 -2.878 1.00 0.00 O ATOM 0 H ASP A 460 68.027 6.247 -2.138 1.00 0.00 H new ATOM 0 HA ASP A 460 69.851 7.250 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 460 68.193 9.151 -2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 460 68.310 9.791 -0.681 1.00 0.00 H new ATOM 816 N LEU A 461 68.217 6.670 1.238 1.00 0.00 N ATOM 817 CA LEU A 461 68.053 6.616 2.720 1.00 0.00 C ATOM 818 C LEU A 461 69.193 5.808 3.347 1.00 0.00 C ATOM 819 O LEU A 461 69.990 5.205 2.655 1.00 0.00 O ATOM 820 CB LEU A 461 66.708 5.920 2.950 1.00 0.00 C ATOM 821 CG LEU A 461 65.649 6.957 3.345 1.00 0.00 C ATOM 822 CD1 LEU A 461 64.590 7.055 2.245 1.00 0.00 C ATOM 823 CD2 LEU A 461 64.981 6.530 4.655 1.00 0.00 C ATOM 0 H LEU A 461 67.890 5.845 0.735 1.00 0.00 H new ATOM 0 HA LEU A 461 68.078 7.607 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.399 5.397 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.806 5.169 3.734 1.00 0.00 H new ATOM 0 HG LEU A 461 66.126 7.928 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 461 63.839 7.792 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 461 65.063 7.359 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.113 6.084 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 461 64.228 7.266 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.506 5.558 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.733 6.461 5.441 1.00 0.00 H new ATOM 835 N GLU A 462 69.275 5.793 4.650 1.00 0.00 N ATOM 836 CA GLU A 462 70.365 5.025 5.321 1.00 0.00 C ATOM 837 C GLU A 462 69.769 3.972 6.260 1.00 0.00 C ATOM 838 O GLU A 462 68.617 3.604 6.143 1.00 0.00 O ATOM 839 CB GLU A 462 71.155 6.070 6.116 1.00 0.00 C ATOM 840 CG GLU A 462 72.616 6.064 5.660 1.00 0.00 C ATOM 841 CD GLU A 462 72.753 6.872 4.370 1.00 0.00 C ATOM 842 OE1 GLU A 462 72.446 8.053 4.397 1.00 0.00 O ATOM 843 OE2 GLU A 462 73.162 6.297 3.375 1.00 0.00 O ATOM 0 H GLU A 462 68.635 6.279 5.279 1.00 0.00 H new ATOM 0 HA GLU A 462 70.996 4.493 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.721 7.059 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 462 71.095 5.852 7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 462 73.252 6.489 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 462 72.953 5.040 5.497 1.00 0.00 H new ATOM 850 N GLU A 463 70.547 3.485 7.189 1.00 0.00 N ATOM 851 CA GLU A 463 70.030 2.455 8.137 1.00 0.00 C ATOM 852 C GLU A 463 69.352 3.130 9.333 1.00 0.00 C ATOM 853 O GLU A 463 68.270 2.754 9.739 1.00 0.00 O ATOM 854 CB GLU A 463 71.267 1.677 8.590 1.00 0.00 C ATOM 855 CG GLU A 463 70.880 0.226 8.891 1.00 0.00 C ATOM 856 CD GLU A 463 70.760 0.031 10.404 1.00 0.00 C ATOM 857 OE1 GLU A 463 70.000 0.763 11.017 1.00 0.00 O ATOM 858 OE2 GLU A 463 71.430 -0.846 10.923 1.00 0.00 O ATOM 0 H GLU A 463 71.520 3.756 7.333 1.00 0.00 H new ATOM 0 HA GLU A 463 69.286 1.805 7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 463 72.032 1.706 7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.696 2.141 9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 463 69.934 -0.017 8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 463 71.630 -0.453 8.485 1.00 0.00 H new ATOM 865 N ARG A 464 69.982 4.126 9.898 1.00 0.00 N ATOM 866 CA ARG A 464 69.374 4.828 11.068 1.00 0.00 C ATOM 867 C ARG A 464 68.039 5.458 10.668 1.00 0.00 C ATOM 868 O ARG A 464 67.003 5.134 11.215 1.00 0.00 O ATOM 869 CB ARG A 464 70.385 5.912 11.458 1.00 0.00 C ATOM 870 CG ARG A 464 70.738 5.776 12.941 1.00 0.00 C ATOM 871 CD ARG A 464 71.956 6.646 13.262 1.00 0.00 C ATOM 872 NE ARG A 464 71.438 7.722 14.153 1.00 0.00 N ATOM 873 CZ ARG A 464 72.023 7.962 15.295 1.00 0.00 C ATOM 874 NH1 ARG A 464 72.071 7.033 16.211 1.00 0.00 N ATOM 875 NH2 ARG A 464 72.562 9.129 15.520 1.00 0.00 N ATOM 0 H ARG A 464 70.890 4.484 9.601 1.00 0.00 H new ATOM 0 HA ARG A 464 69.171 4.148 11.896 1.00 0.00 H new ATOM 0 HB2 ARG A 464 71.285 5.820 10.850 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.968 6.900 11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 464 69.890 6.079 13.556 1.00 0.00 H new ATOM 0 HG3 ARG A 464 70.950 4.734 13.181 1.00 0.00 H new ATOM 0 HD2 ARG A 464 72.736 6.066 13.756 1.00 0.00 H new ATOM 0 HD3 ARG A 464 72.394 7.062 12.355 1.00 0.00 H new ATOM 0 HE ARG A 464 70.626 8.271 13.871 1.00 0.00 H new ATOM 0 HH11 ARG A 464 71.652 6.120 16.034 1.00 0.00 H new ATOM 0 HH12 ARG A 464 72.528 7.220 17.104 1.00 0.00 H new ATOM 0 HH21 ARG A 464 72.526 9.854 14.803 1.00 0.00 H new ATOM 0 HH22 ARG A 464 73.019 9.316 16.412 1.00 0.00 H new ATOM 889 N THR A 465 68.053 6.356 9.713 1.00 0.00 N ATOM 890 CA THR A 465 66.782 7.009 9.274 1.00 0.00 C ATOM 891 C THR A 465 65.697 5.955 9.040 1.00 0.00 C ATOM 892 O THR A 465 64.556 6.135 9.417 1.00 0.00 O ATOM 893 CB THR A 465 67.131 7.721 7.965 1.00 0.00 C ATOM 894 OG1 THR A 465 68.209 8.619 8.190 1.00 0.00 O ATOM 895 CG2 THR A 465 65.913 8.499 7.464 1.00 0.00 C ATOM 0 H THR A 465 68.890 6.664 9.219 1.00 0.00 H new ATOM 0 HA THR A 465 66.395 7.701 10.022 1.00 0.00 H new ATOM 0 HB THR A 465 67.421 6.984 7.216 1.00 0.00 H new ATOM 0 HG1 THR A 465 68.435 9.075 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 465 66.163 9.006 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 465 65.086 7.810 7.292 1.00 0.00 H new ATOM 0 HG23 THR A 465 65.620 9.237 8.211 1.00 0.00 H new ATOM 903 N LEU A 466 66.047 4.849 8.437 1.00 0.00 N ATOM 904 CA LEU A 466 65.035 3.779 8.199 1.00 0.00 C ATOM 905 C LEU A 466 64.526 3.260 9.545 1.00 0.00 C ATOM 906 O LEU A 466 63.356 2.973 9.708 1.00 0.00 O ATOM 907 CB LEU A 466 65.786 2.680 7.435 1.00 0.00 C ATOM 908 CG LEU A 466 64.797 1.756 6.714 1.00 0.00 C ATOM 909 CD1 LEU A 466 63.933 1.020 7.739 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.897 2.577 5.784 1.00 0.00 C ATOM 0 H LEU A 466 66.987 4.641 8.100 1.00 0.00 H new ATOM 0 HA LEU A 466 64.169 4.130 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.465 3.131 6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 466 66.397 2.100 8.127 1.00 0.00 H new ATOM 0 HG LEU A 466 65.357 1.030 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 466 63.232 0.365 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 466 64.571 0.425 8.392 1.00 0.00 H new ATOM 0 HD13 LEU A 466 63.379 1.745 8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 466 63.197 1.913 5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.342 3.310 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 466 64.511 3.092 5.045 1.00 0.00 H new ATOM 922 N ILE A 467 65.393 3.161 10.521 1.00 0.00 N ATOM 923 CA ILE A 467 64.947 2.687 11.861 1.00 0.00 C ATOM 924 C ILE A 467 64.007 3.732 12.455 1.00 0.00 C ATOM 925 O ILE A 467 62.915 3.435 12.897 1.00 0.00 O ATOM 926 CB ILE A 467 66.239 2.541 12.695 1.00 0.00 C ATOM 927 CG1 ILE A 467 66.248 1.169 13.380 1.00 0.00 C ATOM 928 CG2 ILE A 467 66.332 3.642 13.768 1.00 0.00 C ATOM 929 CD1 ILE A 467 67.632 0.534 13.236 1.00 0.00 C ATOM 0 H ILE A 467 66.385 3.387 10.446 1.00 0.00 H new ATOM 0 HA ILE A 467 64.406 1.741 11.830 1.00 0.00 H new ATOM 0 HB ILE A 467 67.094 2.636 12.025 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.994 1.276 14.434 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.492 0.523 12.933 1.00 0.00 H new ATOM 0 HG21 ILE A 467 67.251 3.515 14.340 1.00 0.00 H new ATOM 0 HG22 ILE A 467 66.336 4.620 13.287 1.00 0.00 H new ATOM 0 HG23 ILE A 467 65.475 3.571 14.437 1.00 0.00 H new ATOM 0 HD11 ILE A 467 67.637 -0.441 13.723 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.869 0.413 12.179 1.00 0.00 H new ATOM 0 HD13 ILE A 467 68.378 1.177 13.703 1.00 0.00 H new ATOM 941 N HIS A 468 64.436 4.964 12.452 1.00 0.00 N ATOM 942 CA HIS A 468 63.594 6.056 13.000 1.00 0.00 C ATOM 943 C HIS A 468 62.246 6.059 12.275 1.00 0.00 C ATOM 944 O HIS A 468 61.195 6.033 12.886 1.00 0.00 O ATOM 945 CB HIS A 468 64.389 7.334 12.705 1.00 0.00 C ATOM 946 CG HIS A 468 63.586 8.534 13.108 1.00 0.00 C ATOM 947 ND1 HIS A 468 62.326 8.929 12.764 1.00 0.00 N flip ATOM 948 CD2 HIS A 468 64.070 9.504 13.972 1.00 0.00 C flip ATOM 949 CE1 HIS A 468 62.018 10.129 13.398 1.00 0.00 C flip ATOM 950 NE2 HIS A 468 63.105 10.432 14.115 1.00 0.00 N flip ATOM 0 H HIS A 468 65.342 5.260 12.089 1.00 0.00 H new ATOM 0 HA HIS A 468 63.383 5.954 14.065 1.00 0.00 H new ATOM 0 HB2 HIS A 468 65.335 7.319 13.247 1.00 0.00 H new ATOM 0 HB3 HIS A 468 64.631 7.386 11.643 1.00 0.00 H new ATOM 0 HD2 HIS A 468 65.042 9.514 14.443 1.00 0.00 H new ATOM 0 HE1 HIS A 468 61.100 10.693 13.326 1.00 0.00 H new ATOM 0 HE2 HIS A 468 63.192 11.264 14.699 1.00 0.00 H new ATOM 958 N LEU A 469 62.280 6.080 10.972 1.00 0.00 N ATOM 959 CA LEU A 469 61.015 6.076 10.186 1.00 0.00 C ATOM 960 C LEU A 469 60.270 4.750 10.381 1.00 0.00 C ATOM 961 O LEU A 469 59.111 4.627 10.034 1.00 0.00 O ATOM 962 CB LEU A 469 61.458 6.244 8.731 1.00 0.00 C ATOM 963 CG LEU A 469 61.224 7.691 8.297 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.890 7.932 6.943 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.721 7.951 8.182 1.00 0.00 C ATOM 0 H LEU A 469 63.134 6.100 10.415 1.00 0.00 H new ATOM 0 HA LEU A 469 60.330 6.865 10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 469 62.512 5.987 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.899 5.564 8.088 1.00 0.00 H new ATOM 0 HG LEU A 469 61.654 8.367 9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.723 8.964 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.961 7.747 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.462 7.257 6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.553 8.983 7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 469 59.290 7.276 7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 469 59.247 7.780 9.149 1.00 0.00 H new ATOM 977 N SER A 470 60.921 3.760 10.937 1.00 0.00 N ATOM 978 CA SER A 470 60.242 2.451 11.155 1.00 0.00 C ATOM 979 C SER A 470 59.614 2.404 12.553 1.00 0.00 C ATOM 980 O SER A 470 58.986 1.431 12.925 1.00 0.00 O ATOM 981 CB SER A 470 61.348 1.405 11.030 1.00 0.00 C ATOM 982 OG SER A 470 60.843 0.138 11.430 1.00 0.00 O ATOM 0 H SER A 470 61.891 3.803 11.248 1.00 0.00 H new ATOM 0 HA SER A 470 59.437 2.281 10.440 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.706 1.359 10.002 1.00 0.00 H new ATOM 0 HB3 SER A 470 62.199 1.683 11.652 1.00 0.00 H new ATOM 0 HG SER A 470 60.057 0.265 12.001 1.00 0.00 H new ATOM 988 N GLU A 471 59.775 3.444 13.330 1.00 0.00 N ATOM 989 CA GLU A 471 59.185 3.451 14.702 1.00 0.00 C ATOM 990 C GLU A 471 57.656 3.491 14.621 1.00 0.00 C ATOM 991 O GLU A 471 56.968 3.097 15.543 1.00 0.00 O ATOM 992 CB GLU A 471 59.722 4.722 15.362 1.00 0.00 C ATOM 993 CG GLU A 471 59.768 4.530 16.878 1.00 0.00 C ATOM 994 CD GLU A 471 60.985 5.260 17.450 1.00 0.00 C ATOM 995 OE1 GLU A 471 60.953 6.479 17.496 1.00 0.00 O ATOM 996 OE2 GLU A 471 61.929 4.587 17.830 1.00 0.00 O ATOM 0 H GLU A 471 60.289 4.287 13.074 1.00 0.00 H new ATOM 0 HA GLU A 471 59.449 2.558 15.268 1.00 0.00 H new ATOM 0 HB2 GLU A 471 60.719 4.948 14.983 1.00 0.00 H new ATOM 0 HB3 GLU A 471 59.086 5.571 15.112 1.00 0.00 H new ATOM 0 HG2 GLU A 471 58.854 4.914 17.331 1.00 0.00 H new ATOM 0 HG3 GLU A 471 59.821 3.468 17.119 1.00 0.00 H new ATOM 1003 N GLY A 472 57.119 3.965 13.528 1.00 0.00 N ATOM 1004 CA GLY A 472 55.636 4.030 13.391 1.00 0.00 C ATOM 1005 C GLY A 472 55.166 5.472 13.593 1.00 0.00 C ATOM 1006 O GLY A 472 55.917 6.324 14.025 1.00 0.00 O ATOM 0 H GLY A 472 57.644 4.310 12.724 1.00 0.00 H new ATOM 0 HA2 GLY A 472 55.335 3.673 12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 472 55.164 3.376 14.124 1.00 0.00 H new ATOM 1010 N SER A 473 53.925 5.751 13.283 1.00 0.00 N ATOM 1011 CA SER A 473 53.398 7.140 13.454 1.00 0.00 C ATOM 1012 C SER A 473 54.305 8.149 12.742 1.00 0.00 C ATOM 1013 O SER A 473 54.518 9.248 13.214 1.00 0.00 O ATOM 1014 CB SER A 473 53.403 7.386 14.963 1.00 0.00 C ATOM 1015 OG SER A 473 52.415 8.357 15.284 1.00 0.00 O ATOM 0 H SER A 473 53.253 5.076 12.918 1.00 0.00 H new ATOM 0 HA SER A 473 52.402 7.255 13.025 1.00 0.00 H new ATOM 0 HB2 SER A 473 53.202 6.456 15.495 1.00 0.00 H new ATOM 0 HB3 SER A 473 54.386 7.731 15.284 1.00 0.00 H new ATOM 0 HG SER A 473 52.415 8.516 16.251 1.00 0.00 H new ATOM 1021 N ASN A 474 54.840 7.780 11.608 1.00 0.00 N ATOM 1022 CA ASN A 474 55.733 8.716 10.863 1.00 0.00 C ATOM 1023 C ASN A 474 55.199 8.938 9.444 1.00 0.00 C ATOM 1024 O ASN A 474 54.662 8.040 8.827 1.00 0.00 O ATOM 1025 CB ASN A 474 57.095 8.019 10.822 1.00 0.00 C ATOM 1026 CG ASN A 474 58.093 8.785 11.692 1.00 0.00 C ATOM 1027 OD1 ASN A 474 59.031 9.373 11.189 1.00 0.00 O ATOM 1028 ND2 ASN A 474 57.929 8.806 12.987 1.00 0.00 N ATOM 0 H ASN A 474 54.698 6.872 11.166 1.00 0.00 H new ATOM 0 HA ASN A 474 55.792 9.696 11.337 1.00 0.00 H new ATOM 0 HB2 ASN A 474 57.000 6.993 11.178 1.00 0.00 H new ATOM 0 HB3 ASN A 474 57.457 7.968 9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 474 58.587 9.315 13.576 1.00 0.00 H new ATOM 0 HD22 ASN A 474 57.142 8.313 13.410 1.00 0.00 H new ATOM 1035 N LYS A 475 55.344 10.128 8.926 1.00 0.00 N ATOM 1036 CA LYS A 475 54.847 10.409 7.548 1.00 0.00 C ATOM 1037 C LYS A 475 55.858 9.914 6.511 1.00 0.00 C ATOM 1038 O LYS A 475 56.433 10.688 5.770 1.00 0.00 O ATOM 1039 CB LYS A 475 54.706 11.931 7.480 1.00 0.00 C ATOM 1040 CG LYS A 475 53.632 12.389 8.468 1.00 0.00 C ATOM 1041 CD LYS A 475 53.997 13.770 9.017 1.00 0.00 C ATOM 1042 CE LYS A 475 53.547 13.876 10.478 1.00 0.00 C ATOM 1043 NZ LYS A 475 52.275 14.650 10.432 1.00 0.00 N ATOM 0 H LYS A 475 55.785 10.918 9.397 1.00 0.00 H new ATOM 0 HA LYS A 475 53.904 9.904 7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 475 55.658 12.406 7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 475 54.439 12.237 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 475 52.661 12.428 7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 475 53.545 11.673 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 475 55.073 13.929 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 475 53.519 14.548 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 475 53.394 12.890 10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 475 54.296 14.383 11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 51.904 14.765 11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 52.453 15.586 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 51.579 14.140 9.852 1.00 0.00 H new ATOM 1057 N TYR A 476 56.078 8.627 6.451 1.00 0.00 N ATOM 1058 CA TYR A 476 57.053 8.079 5.462 1.00 0.00 C ATOM 1059 C TYR A 476 56.584 8.380 4.036 1.00 0.00 C ATOM 1060 O TYR A 476 55.427 8.214 3.704 1.00 0.00 O ATOM 1061 CB TYR A 476 57.067 6.569 5.712 1.00 0.00 C ATOM 1062 CG TYR A 476 58.389 5.996 5.259 1.00 0.00 C ATOM 1063 CD1 TYR A 476 58.773 6.096 3.917 1.00 0.00 C ATOM 1064 CD2 TYR A 476 59.231 5.366 6.183 1.00 0.00 C ATOM 1065 CE1 TYR A 476 59.998 5.564 3.497 1.00 0.00 C ATOM 1066 CE2 TYR A 476 60.457 4.834 5.763 1.00 0.00 C ATOM 1067 CZ TYR A 476 60.839 4.934 4.420 1.00 0.00 C ATOM 1068 OH TYR A 476 62.047 4.409 4.006 1.00 0.00 O ATOM 0 H TYR A 476 55.625 7.932 7.044 1.00 0.00 H new ATOM 0 HA TYR A 476 58.044 8.520 5.572 1.00 0.00 H new ATOM 0 HB2 TYR A 476 56.913 6.364 6.771 1.00 0.00 H new ATOM 0 HB3 TYR A 476 56.248 6.093 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.124 6.584 3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 476 58.936 5.290 7.219 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.293 5.640 2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 476 61.107 4.347 6.475 1.00 0.00 H new ATOM 0 HH TYR A 476 62.536 5.082 3.487 1.00 0.00 H new ATOM 1078 N TYR A 477 57.476 8.824 3.190 1.00 0.00 N ATOM 1079 CA TYR A 477 57.085 9.135 1.784 1.00 0.00 C ATOM 1080 C TYR A 477 58.145 8.615 0.810 1.00 0.00 C ATOM 1081 O TYR A 477 59.330 8.794 1.015 1.00 0.00 O ATOM 1082 CB TYR A 477 57.006 10.661 1.725 1.00 0.00 C ATOM 1083 CG TYR A 477 55.695 11.125 2.314 1.00 0.00 C ATOM 1084 CD1 TYR A 477 54.486 10.640 1.802 1.00 0.00 C ATOM 1085 CD2 TYR A 477 55.690 12.041 3.373 1.00 0.00 C ATOM 1086 CE1 TYR A 477 53.272 11.070 2.349 1.00 0.00 C ATOM 1087 CE2 TYR A 477 54.474 12.471 3.919 1.00 0.00 C ATOM 1088 CZ TYR A 477 53.265 11.986 3.407 1.00 0.00 C ATOM 1089 OH TYR A 477 52.068 12.411 3.945 1.00 0.00 O ATOM 0 H TYR A 477 58.458 8.985 3.412 1.00 0.00 H new ATOM 0 HA TYR A 477 56.142 8.665 1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.839 11.100 2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 477 57.092 11.000 0.693 1.00 0.00 H new ATOM 0 HD1 TYR A 477 54.490 9.934 0.985 1.00 0.00 H new ATOM 0 HD2 TYR A 477 56.623 12.415 3.768 1.00 0.00 H new ATOM 0 HE1 TYR A 477 52.339 10.695 1.954 1.00 0.00 H new ATOM 0 HE2 TYR A 477 54.469 13.177 4.736 1.00 0.00 H new ATOM 0 HH TYR A 477 52.243 13.045 4.672 1.00 0.00 H new ATOM 1099 N CYS A 478 57.727 7.975 -0.250 1.00 0.00 N ATOM 1100 CA CYS A 478 58.709 7.445 -1.240 1.00 0.00 C ATOM 1101 C CYS A 478 59.465 8.608 -1.898 1.00 0.00 C ATOM 1102 O CYS A 478 59.455 9.719 -1.407 1.00 0.00 O ATOM 1103 CB CYS A 478 57.867 6.659 -2.261 1.00 0.00 C ATOM 1104 SG CYS A 478 57.171 7.776 -3.503 1.00 0.00 S ATOM 0 H CYS A 478 56.748 7.797 -0.473 1.00 0.00 H new ATOM 0 HA CYS A 478 59.466 6.806 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.486 5.905 -2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.064 6.130 -1.748 1.00 0.00 H new ATOM 1109 N ASN A 479 60.125 8.364 -2.999 1.00 0.00 N ATOM 1110 CA ASN A 479 60.884 9.459 -3.674 1.00 0.00 C ATOM 1111 C ASN A 479 59.992 10.212 -4.671 1.00 0.00 C ATOM 1112 O ASN A 479 60.118 11.409 -4.844 1.00 0.00 O ATOM 1113 CB ASN A 479 62.025 8.753 -4.411 1.00 0.00 C ATOM 1114 CG ASN A 479 63.349 9.450 -4.097 1.00 0.00 C ATOM 1115 OD1 ASN A 479 64.172 8.921 -3.376 1.00 0.00 O ATOM 1116 ND2 ASN A 479 63.592 10.625 -4.611 1.00 0.00 N ATOM 0 H ASN A 479 60.172 7.455 -3.460 1.00 0.00 H new ATOM 0 HA ASN A 479 61.246 10.199 -2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.073 7.707 -4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.841 8.767 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.472 11.099 -4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 479 62.902 11.070 -5.216 1.00 0.00 H new ATOM 1123 N GLU A 480 59.110 9.519 -5.341 1.00 0.00 N ATOM 1124 CA GLU A 480 58.229 10.195 -6.342 1.00 0.00 C ATOM 1125 C GLU A 480 56.997 10.828 -5.679 1.00 0.00 C ATOM 1126 O GLU A 480 56.127 11.342 -6.355 1.00 0.00 O ATOM 1127 CB GLU A 480 57.804 9.083 -7.301 1.00 0.00 C ATOM 1128 CG GLU A 480 57.636 9.661 -8.708 1.00 0.00 C ATOM 1129 CD GLU A 480 56.908 8.646 -9.594 1.00 0.00 C ATOM 1130 OE1 GLU A 480 55.798 8.276 -9.246 1.00 0.00 O ATOM 1131 OE2 GLU A 480 57.472 8.258 -10.603 1.00 0.00 O ATOM 0 H GLU A 480 58.960 8.515 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 480 58.750 11.009 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.551 8.289 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 480 56.868 8.636 -6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 480 57.072 10.593 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 480 58.611 9.898 -9.134 1.00 0.00 H new ATOM 1138 N HIS A 481 56.905 10.801 -4.375 1.00 0.00 N ATOM 1139 CA HIS A 481 55.715 11.410 -3.708 1.00 0.00 C ATOM 1140 C HIS A 481 56.142 12.344 -2.567 1.00 0.00 C ATOM 1141 O HIS A 481 55.453 13.293 -2.247 1.00 0.00 O ATOM 1142 CB HIS A 481 54.905 10.229 -3.170 1.00 0.00 C ATOM 1143 CG HIS A 481 54.340 9.448 -4.326 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.366 8.047 -4.372 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.737 9.851 -5.497 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.799 7.667 -5.534 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.412 8.727 -6.228 1.00 0.00 N ATOM 0 H HIS A 481 57.595 10.388 -3.748 1.00 0.00 H new ATOM 0 HA HIS A 481 55.133 12.019 -4.400 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.538 9.587 -2.557 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.099 10.587 -2.529 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.550 10.873 -5.793 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.677 6.643 -5.854 1.00 0.00 H new ATOM 0 HE2 HIS A 481 52.955 8.714 -7.140 1.00 0.00 H new ATOM 1155 N VAL A 482 57.267 12.088 -1.952 1.00 0.00 N ATOM 1156 CA VAL A 482 57.723 12.972 -0.837 1.00 0.00 C ATOM 1157 C VAL A 482 57.954 14.392 -1.348 1.00 0.00 C ATOM 1158 O VAL A 482 57.750 15.363 -0.647 1.00 0.00 O ATOM 1159 CB VAL A 482 59.035 12.356 -0.347 1.00 0.00 C ATOM 1160 CG1 VAL A 482 60.077 12.390 -1.469 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.556 13.152 0.853 1.00 0.00 C ATOM 0 H VAL A 482 57.888 11.309 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 482 56.984 13.039 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 482 58.857 11.322 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 482 61.009 11.950 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.710 11.822 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 482 60.255 13.423 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 482 60.491 12.713 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 482 59.729 14.186 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 482 58.819 13.124 1.656 1.00 0.00 H new ATOM 1171 N GLN A 483 58.379 14.509 -2.569 1.00 0.00 N ATOM 1172 CA GLN A 483 58.636 15.857 -3.154 1.00 0.00 C ATOM 1173 C GLN A 483 57.407 16.341 -3.931 1.00 0.00 C ATOM 1174 O GLN A 483 57.505 16.760 -5.068 1.00 0.00 O ATOM 1175 CB GLN A 483 59.826 15.661 -4.097 1.00 0.00 C ATOM 1176 CG GLN A 483 61.088 16.253 -3.464 1.00 0.00 C ATOM 1177 CD GLN A 483 61.300 17.677 -3.983 1.00 0.00 C ATOM 1178 OE1 GLN A 483 60.375 18.462 -4.031 1.00 0.00 O ATOM 1179 NE2 GLN A 483 62.490 18.044 -4.376 1.00 0.00 N ATOM 0 H GLN A 483 58.562 13.725 -3.196 1.00 0.00 H new ATOM 0 HA GLN A 483 58.842 16.606 -2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 483 59.972 14.600 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 483 59.627 16.143 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 483 60.994 16.261 -2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 483 61.953 15.634 -3.704 1.00 0.00 H new ATOM 0 HE21 GLN A 483 63.267 17.384 -4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 483 62.643 18.991 -4.724 1.00 0.00 H new ATOM 1188 N ILE A 484 56.251 16.288 -3.325 1.00 0.00 N ATOM 1189 CA ILE A 484 55.017 16.746 -4.028 1.00 0.00 C ATOM 1190 C ILE A 484 54.564 18.104 -3.479 1.00 0.00 C ATOM 1191 O ILE A 484 53.389 18.415 -3.459 1.00 0.00 O ATOM 1192 CB ILE A 484 53.967 15.667 -3.741 1.00 0.00 C ATOM 1193 CG1 ILE A 484 52.685 15.987 -4.518 1.00 0.00 C ATOM 1194 CG2 ILE A 484 53.657 15.622 -2.240 1.00 0.00 C ATOM 1195 CD1 ILE A 484 52.051 14.687 -5.016 1.00 0.00 C ATOM 0 H ILE A 484 56.108 15.948 -2.374 1.00 0.00 H new ATOM 0 HA ILE A 484 55.179 16.878 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 484 54.355 14.697 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 484 51.984 16.524 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 484 52.912 16.640 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 484 52.910 14.852 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 484 54.568 15.392 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 484 53.273 16.590 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 484 51.139 14.915 -5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 484 52.751 14.168 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 484 51.810 14.050 -4.165 1.00 0.00 H new ATOM 1207 N ALA A 485 55.489 18.912 -3.033 1.00 0.00 N ATOM 1208 CA ALA A 485 55.114 20.250 -2.486 1.00 0.00 C ATOM 1209 C ALA A 485 56.344 21.158 -2.415 1.00 0.00 C ATOM 1210 O ALA A 485 57.397 20.832 -2.929 1.00 0.00 O ATOM 1211 CB ALA A 485 54.575 19.966 -1.084 1.00 0.00 C ATOM 0 H ALA A 485 56.488 18.704 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 485 54.380 20.760 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 485 54.276 20.902 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 485 53.712 19.303 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 485 55.351 19.490 -0.485 1.00 0.00 H new ATOM 1217 N ARG A 486 56.218 22.293 -1.783 1.00 0.00 N ATOM 1218 CA ARG A 486 57.380 23.225 -1.679 1.00 0.00 C ATOM 1219 C ARG A 486 58.013 23.130 -0.288 1.00 0.00 C ATOM 1220 O ARG A 486 57.327 23.050 0.712 1.00 0.00 O ATOM 1221 CB ARG A 486 56.790 24.619 -1.904 1.00 0.00 C ATOM 1222 CG ARG A 486 57.002 25.039 -3.363 1.00 0.00 C ATOM 1223 CD ARG A 486 57.562 26.462 -3.411 1.00 0.00 C ATOM 1224 NE ARG A 486 56.363 27.346 -3.447 1.00 0.00 N ATOM 1225 CZ ARG A 486 56.043 28.056 -2.399 1.00 0.00 C ATOM 1226 NH1 ARG A 486 56.748 29.106 -2.083 1.00 0.00 N ATOM 1227 NH2 ARG A 486 55.018 27.714 -1.668 1.00 0.00 N ATOM 0 H ARG A 486 55.361 22.616 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 486 58.163 22.991 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 486 55.726 24.617 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 486 57.264 25.338 -1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 486 57.689 24.350 -3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 486 56.059 24.990 -3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 486 58.182 26.672 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 486 58.189 26.610 -4.290 1.00 0.00 H new ATOM 0 HE ARG A 486 55.792 27.396 -4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 486 57.550 29.373 -2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 486 56.498 29.661 -1.264 1.00 0.00 H new ATOM 0 HH21 ARG A 486 54.467 26.892 -1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 486 54.768 28.268 -0.849 1.00 0.00 H new ATOM 1241 N ALA A 487 59.320 23.138 -0.220 1.00 0.00 N ATOM 1242 CA ALA A 487 60.009 23.049 1.105 1.00 0.00 C ATOM 1243 C ALA A 487 59.488 21.846 1.900 1.00 0.00 C ATOM 1244 O ALA A 487 58.970 20.932 1.280 1.00 0.00 O ATOM 1245 CB ALA A 487 59.667 24.356 1.823 1.00 0.00 C ATOM 1246 OXT ALA A 487 59.618 21.862 3.112 1.00 0.00 O ATOM 0 H ALA A 487 59.942 23.202 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 487 61.085 22.913 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 487 60.138 24.365 2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 487 60.033 25.199 1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 487 58.586 24.436 1.938 1.00 0.00 H new TER 1252 ALA A 487 HETATM 1253 ZN ZN A 488 64.424 -0.070 -5.690 1.00 0.00 ZN HETATM 1254 ZN ZN A 489 55.134 6.721 -3.018 1.00 0.00 ZN